
                           ***********************       
                           *  WELCOME TO SIMPLEX  *       
                           ***********************       
Reading from standard input...

*: ****************** Dump of input data file ****************************
numberofspecies 2
numberofparameters 12
systemlabel teo2
kindofsearch default_basis
propertyminimized enthalpy
kindofmapping gaussian
tolerance 1.d-7
pressure 0.2 GPa
%block ChemicalSpeciesLabel
      1      52     Te
      2       8     O
%endblock ChemicalSpeciesLabel
%block PAO.Basis.Fixed
Te    3      0
 n=5    0    2   E     0          0
   0       0
   1.000   1.000
 n=5    1    2   E     0          0
   0       0
   1.000   1.000
 n=5    2    1   E     0          0
   0
   1.000
O     3     1
 n=2    0    2   E     1          1
   1      1
   1.000  1.000
 n=2    1    2   E     1          1
   1      1
   1.000  1.000
 n=3    2    1   E     1          1
   1
   1.000
%endblock PAO.Basis.Fixed
%block PAO.Basis.Maximum
Te    3      +2.00
 n=5    0    2   E   200.00       7.50
   8.000   6.000
   1.000   1.000
 n=5    1    2   E   200.00       7.50
   8.000   6.000
   1.000   1.000
 n=5    2    1   E   200.00       7.50
   8.000
   1.000
O     3     0
 n=2    0    2   E     0          0
   0      0
   1.000  1.000
 n=2    1    2   E     0          0
   0      0
   1.000  1.000
 n=3    2    1   E     0          0
   0
   1.000
%endblock PAO.Basis.Maximum
%block PAO.Basis.Minimum
Te    3      -1.00
 n=5    0    2   E     0.00       0.00
   5.000   3.000
   1.000   1.000
 n=5    1    2   E     0.00       0.00
   5.000   3.000
   1.000   1.000
 n=5    2    1   E     0.00       0.00
   3.000
   1.000
O     3     0
 n=2    0    2   E     0          0
   0      0
   1.000  1.000
 n=2    1    2   E     0          0
   0      0
   1.000  1.000
 n=3    2    1   E     0          0
   0
   1.000
%endblock PAO.Basis.Minimum
%block PAO.Basis.Initial
Te    3      1.87186
 n=5    0    2   E   59.47005     5.01878
   6.63939     4.48128
   1.000       1.000
 n=5    1    2   E  174.96781     5.00000
   5.72559     4.00000
   1.000       1.000
 n=5    2    1   E   64.15866     3.45992
   6.41186
   1.000
O    3     -0.24021
 n=2   0   2   E    64.35698     2.24090
   4.39710     2.52029
   1.00000     1.00000
 n=2   1   2   E     7.99069     4.88285
   6.12535     2.30982
   1.00000     1.00000
 n=3   2   1   E    20.95104     3.07361
   5.07487
   1.00000
%endblock PAO.Basis.Initial
%block PAO.Basis.displacements
Te    3     -1.00
 n=5    0    2   E   50.00       -1.50
   1.000       1.000
   1.000       1.000
 n=5    1    2   E  -75.00       -1.00
   1.000       1.000
   1.000       1.000
 n=5    2    1   E  100.00       -1.00
  -1.000
   1.000
O     3     0
 n=2    0    2   E     0          0
   0      0
   1.000  1.000
 n=2    1    2   E     0          0
   0      0
   1.000  1.000
 n=3    2    1   E     0          0
   0
   1.000
%endblock PAO.Basis.displacements
%block PAO.Basis.tolerances
Te    3      0.00
 n=5    0    2   E    0.00        0.50
   0.500       0.000
   1.000       1.000
 n=5    1    2   E    0.00        0.50
   0.500       0.000
   1.000       1.000
 n=5    2    1   E    0.00        0.50
   0.500
   1.000
O     3     0
 n=2    0    2   E     0          0
   0      0
   1.000  1.000
 n=2    1    2   E     0          0
   0      0
   1.000  1.000
 n=3    2    1   E     0          0
   0
   1.000
%endblock PAO.Basis.tolerances
*: ****************** End of input data file *****************************

redata: ****************** Simulation parameters ******************************
redata:
redata: The following are some of the parameters of the simulation.
redata: A complete list of the parameters used, including defect values,
redata: can be found in file out.fdf             
redata:
redata: -----------------------------------------------------------------------
redata: System Name:                                                            
redata: -----------------------------------------------------------------------
redata: System Label                     =     teo2                
 NumberOfSpecies= 2
 -----------------------------------------------------
The following parameters where used in basis: minimum
%block PAO.Basis.minimum                
Te    3   -1.000
n=5   0   2   E     0.00    0.00
    5.00    3.00
    1.00    1.00
n=5   1   2   E     0.00    0.00
    5.00    3.00
    1.00    1.00
n=5   2   1   E     0.00    0.00
    3.00
    1.00
O     3    0.000
n=2   0   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=2   1   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=3   2   1   E     0.00    0.00
    0.00
    1.00
%endblock PAO.Basis.minimum             
 -----------------------------------------------------
The following parameters where used in basis: maximum
%block PAO.Basis.maximum                
Te    3    2.000
n=5   0   2   E   200.00    7.50
    8.00    6.00
    1.00    1.00
n=5   1   2   E   200.00    7.50
    8.00    6.00
    1.00    1.00
n=5   2   1   E   200.00    7.50
    8.00
    1.00
O     3    0.000
n=2   0   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=2   1   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=3   2   1   E     0.00    0.00
    0.00
    1.00
%endblock PAO.Basis.maximum             
 -----------------------------------------------------
The following parameters where used in basis: initial
%block PAO.Basis.initial                
Te    3    1.872
n=5   0   2   E    59.47    5.02
    6.64    4.48
    1.00    1.00
n=5   1   2   E   174.97    5.00
    5.73    4.00
    1.00    1.00
n=5   2   1   E    64.16    3.46
    6.41
    1.00
O     3   -0.240
n=2   0   2   E    64.36    2.24
    4.40    2.52
    1.00    1.00
n=2   1   2   E     7.99    4.88
    6.13    2.31
    1.00    1.00
n=3   2   1   E    20.95    3.07
    5.07
    1.00
%endblock PAO.Basis.initial             
 -----------------------------------------------------
The following parameters where used in basis: tolerances
%block PAO.Basis.tolerances             
Te    3    0.000
n=5   0   2   E     0.00    0.50
    0.50    0.00
    1.00    1.00
n=5   1   2   E     0.00    0.50
    0.50    0.00
    1.00    1.00
n=5   2   1   E     0.00    0.50
    0.50
    1.00
O     3    0.000
n=2   0   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=2   1   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=3   2   1   E     0.00    0.00
    0.00
    1.00
%endblock PAO.Basis.tolerances          
 -----------------------------------------------------
The following parameters where used in basis: displacements
%block PAO.Basis.displacements          
Te    3   -1.000
n=5   0   2   E    50.00   -1.50
    1.00    1.00
    1.00    1.00
n=5   1   2   E   -75.00   -1.00
    1.00    1.00
    1.00    1.00
n=5   2   1   E   100.00   -1.00
   -1.00
    1.00
O     3    0.000
n=2   0   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=2   1   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=3   2   1   E     0.00    0.00
    0.00
    1.00
%endblock PAO.Basis.displacements       
 -----------------------------------------------------
The following parameters where used in basis: fixed
%block PAO.Basis.fixed                  
Te    3    0.000
n=5   0   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=5   1   2   E     0.00    0.00
    0.00    0.00
    1.00    1.00
n=5   2   1   E     0.00    0.00
    0.00
    1.00
O     3    1.000
n=2   0   2   E     1.00    1.00
    1.00    1.00
    1.00    1.00
n=2   1   2   E     1.00    1.00
    1.00    1.00
    1.00    1.00
n=3   2   1   E     1.00    1.00
    1.00
    1.00
%endblock PAO.Basis.fixed               
 ----------------------------------------------------
 ---------------STARTING  CHECKS---------------------
   Checking Maximum Basis
   Checking Minimum Basis
   Checking Initial Basis
 ---------------CHECKS FINISHED----------------------
 ----------------------------------------------------
 
 ----------------------------------------------------
 ---------INITIAL CARTESIAN SIMPLEX SETUP------------
Number of parameters:12
Simplex size        :13
 ------------------FINISHED--------------------------
 ----------------------------------------------------
 ---------------------------------------
ENTHALPY =     -7785.31302
  energy =     -7786.37597
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7785.02946
  energy =     -7786.09240
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7784.91328
  energy =     -7785.97622
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7784.93531
  energy =     -7786.11693
Pressure =          0.20000
GPa
Volume   =       6387.91371
 ---------------------------------------
ENTHALPY =     -7784.83780
  energy =     -7785.95862
Pressure =          0.20000
GPa
Volume   =       6059.20586
 ---------------------------------------
ENTHALPY =     -7785.05508
  energy =     -7786.11803
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7784.90706
  energy =     -7785.97001
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7785.04352
  energy =     -7786.19676
Pressure =          0.20000
GPa
Volume   =       6234.44165
 ---------------------------------------
ENTHALPY =     -7784.76318
  energy =     -7785.87339
Pressure =          0.20000
GPa
Volume   =       6001.86362
 ---------------------------------------
ENTHALPY =     -7785.07815
  energy =     -7786.14110
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7785.25423
  energy =     -7786.31717
Pressure =          0.20000
GPa
Volume   =       5746.34741
 ---------------------------------------
ENTHALPY =     -7785.22353
  energy =     -7786.20504
Pressure =          0.20000
GPa
Volume   =       5306.10443
 ---------------------------------------
ENTHALPY =     -7785.03936
  energy =     -7786.10231
Pressure =          0.20000
GPa
Volume   =       5746.34741
Beginning minimization with tolerance=0.0000001000
Amoeba: current tolerance=0.00007063
 ---------------------------------------
ENTHALPY =     -7785.02287
  energy =     -7786.10362
Pressure =          0.20000
GPa
Volume   =       5842.55560
Amoeba: current tolerance=0.00006104
 ---------------------------------------
ENTHALPY =     -7785.12955
  energy =     -7786.16931
Pressure =          0.20000
GPa
Volume   =       5620.99123
Amoeba: current tolerance=0.00005215
 ---------------------------------------
ENTHALPY =     -7785.27734
  energy =     -7786.36063
Pressure =          0.20000
GPa
Volume   =       5856.32805
Amoeba: current tolerance=0.00005135
 ---------------------------------------
ENTHALPY =     -7785.32454
  energy =     -7786.41097
Pressure =          0.20000
GPa
Volume   =       5873.31834
 ---------------------------------------
ENTHALPY =     -7785.43567
  energy =     -7786.53257
Pressure =          0.20000
GPa
Volume   =       5929.91306
Amoeba: current tolerance=0.00006427
 ---------------------------------------
ENTHALPY =     -7785.38626
  energy =     -7786.31286
Pressure =          0.20000
GPa
Volume   =       5009.22665
Amoeba: current tolerance=0.00005302
 ---------------------------------------
ENTHALPY =     -7785.00088
  energy =     -7786.06877
Pressure =          0.20000
GPa
Volume   =       5773.05474
 ---------------------------------------
ENTHALPY =     -7785.02861
  energy =     -7786.08273
Pressure =          0.20000
GPa
Volume   =       5698.57218
Amoeba: current tolerance=0.00005229
 ---------------------------------------
ENTHALPY =     -7785.13547
  energy =     -7786.19616
Pressure =          0.20000
GPa
Volume   =       5734.13427
Amoeba: current tolerance=0.00005218
 ---------------------------------------
ENTHALPY =     -7785.53632
  energy =     -7786.58243
Pressure =          0.20000
GPa
Volume   =       5655.28898
 ---------------------------------------
ENTHALPY =     -7785.77217
  energy =     -7786.81136
Pressure =          0.20000
GPa
Volume   =       5617.95549
Amoeba: current tolerance=0.00009413
 ---------------------------------------
ENTHALPY =     -7785.65021
  energy =     -7786.69273
Pressure =          0.20000
GPa
Volume   =       5635.93576
Amoeba: current tolerance=0.00009359
 ---------------------------------------
ENTHALPY =     -7785.39051
  energy =     -7786.32114
Pressure =          0.20000
GPa
Volume   =       5031.04926
Amoeba: current tolerance=0.00009211
 ---------------------------------------
ENTHALPY =     -7785.82282
  energy =     -7786.82216
Pressure =          0.20000
GPa
Volume   =       5402.47513
 ---------------------------------------
ENTHALPY =     -7785.94532
  energy =     -7786.91728
Pressure =          0.20000
GPa
Volume   =       5254.50459
Amoeba: current tolerance=0.00011138
 ---------------------------------------
ENTHALPY =     -7785.78220
  energy =     -7786.76742
Pressure =          0.20000
GPa
Volume   =       5326.13521
Amoeba: current tolerance=0.00010478
 ---------------------------------------
ENTHALPY =     -7785.81289
  energy =     -7786.80927
Pressure =          0.20000
GPa
Volume   =       5386.44384
Amoeba: current tolerance=0.00010402
 ---------------------------------------
ENTHALPY =     -7785.51607
  energy =     -7786.48785
Pressure =          0.20000
GPa
Volume   =       5253.49377
Amoeba: current tolerance=0.00009271
 ---------------------------------------
ENTHALPY =     -7785.86195
  energy =     -7786.90799
Pressure =          0.20000
GPa
Volume   =       5654.95925
Amoeba: current tolerance=0.00008877
 ---------------------------------------
ENTHALPY =     -7785.90196
  energy =     -7786.86448
Pressure =          0.20000
GPa
Volume   =       5203.41692
Amoeba: current tolerance=0.00008580
 ---------------------------------------
ENTHALPY =     -7786.01403
  energy =     -7786.93781
Pressure =          0.20000
GPa
Volume   =       4993.99483
 ---------------------------------------
ENTHALPY =     -7785.18672
  energy =     -7786.04338
Pressure =          0.20000
GPa
Volume   =       4631.14522
Amoeba: current tolerance=0.00009004
 ---------------------------------------
ENTHALPY =     -7785.31770
  energy =     -7786.24277
Pressure =          0.20000
GPa
Volume   =       5000.97459
 ---------------------------------------
ENTHALPY =     -7785.77632
  energy =     -7786.73128
Pressure =          0.20000
GPa
Volume   =       5162.59385
Amoeba: current tolerance=0.00008063
 ---------------------------------------
ENTHALPY =     -7785.83896
  energy =     -7786.89345
Pressure =          0.20000
GPa
Volume   =       5700.65002
Amoeba: current tolerance=0.00008009
 ---------------------------------------
ENTHALPY =     -7785.96615
  energy =     -7787.04745
Pressure =          0.20000
GPa
Volume   =       5845.54384
Amoeba: current tolerance=0.00007428
 ---------------------------------------
ENTHALPY =     -7785.89302
  energy =     -7786.80858
Pressure =          0.20000
GPa
Volume   =       4949.55280
Amoeba: current tolerance=0.00006396
 ---------------------------------------
ENTHALPY =     -7785.75408
  energy =     -7786.79152
Pressure =          0.20000
GPa
Volume   =       5608.46040
Amoeba: current tolerance=0.00004673
 ---------------------------------------
ENTHALPY =     -7785.68624
  energy =     -7786.63868
Pressure =          0.20000
GPa
Volume   =       5148.95204
 ---------------------------------------
ENTHALPY =     -7785.99516
  energy =     -7786.96878
Pressure =          0.20000
GPa
Volume   =       5263.46682
Amoeba: current tolerance=0.00003339
 ---------------------------------------
ENTHALPY =     -7785.46069
  energy =     -7786.42153
Pressure =          0.20000
GPa
Volume   =       5194.33168
 ---------------------------------------
ENTHALPY =     -7786.00159
  energy =     -7787.01368
Pressure =          0.20000
GPa
Volume   =       5471.42378
Amoeba: current tolerance=0.00003106
 ---------------------------------------
ENTHALPY =     -7785.59602
  energy =     -7786.53773
Pressure =          0.20000
GPa
Volume   =       5090.89727
 ---------------------------------------
ENTHALPY =     -7785.95678
  energy =     -7786.97035
Pressure =          0.20000
GPa
Volume   =       5479.43585
Amoeba: current tolerance=0.00003053
 ---------------------------------------
ENTHALPY =     -7785.88299
  energy =     -7786.91756
Pressure =          0.20000
GPa
Volume   =       5592.91864
Amoeba: current tolerance=0.00002978
 ---------------------------------------
ENTHALPY =     -7785.89238
  energy =     -7786.90258
Pressure =          0.20000
GPa
Volume   =       5461.20106
Amoeba: current tolerance=0.00002583
 ---------------------------------------
ENTHALPY =     -7785.25639
  energy =     -7786.28527
Pressure =          0.20000
GPa
Volume   =       5562.14923
 ---------------------------------------
ENTHALPY =     -7786.00524
  energy =     -7787.00297
Pressure =          0.20000
GPa
Volume   =       5393.78597
Amoeba: current tolerance=0.00002249
 ---------------------------------------
ENTHALPY =     -7785.91151
  energy =     -7786.85128
Pressure =          0.20000
GPa
Volume   =       5080.46201
Amoeba: current tolerance=0.00001953
 ---------------------------------------
ENTHALPY =     -7785.80489
  energy =     -7786.74374
Pressure =          0.20000
GPa
Volume   =       5075.47392
 ---------------------------------------
ENTHALPY =     -7785.99507
  energy =     -7787.00910
Pressure =          0.20000
GPa
Volume   =       5481.87377
Amoeba: current tolerance=0.00001683
 ---------------------------------------
ENTHALPY =     -7785.87948
  energy =     -7786.81408
Pressure =          0.20000
GPa
Volume   =       5052.48116
 ---------------------------------------
ENTHALPY =     -7786.03622
  energy =     -7787.04470
Pressure =          0.20000
GPa
Volume   =       5451.91055
Amoeba: current tolerance=0.00001847
 ---------------------------------------
ENTHALPY =     -7785.84169
  energy =     -7786.79879
Pressure =          0.20000
GPa
Volume   =       5174.14814
 ---------------------------------------
ENTHALPY =     -7786.04409
  energy =     -7787.04046
Pressure =          0.20000
GPa
Volume   =       5386.44180
Amoeba: current tolerance=0.00001940
 ---------------------------------------
ENTHALPY =     -7785.81434
  energy =     -7786.88502
Pressure =          0.20000
GPa
Volume   =       5788.13905
 ---------------------------------------
ENTHALPY =     -7786.04269
  energy =     -7786.99454
Pressure =          0.20000
GPa
Volume   =       5145.73569
Amoeba: current tolerance=0.00001825
 ---------------------------------------
ENTHALPY =     -7785.90879
  energy =     -7786.92798
Pressure =          0.20000
GPa
Volume   =       5509.80563
 ---------------------------------------
ENTHALPY =     -7786.04577
  energy =     -7787.04947
Pressure =          0.20000
GPa
Volume   =       5426.00923
Amoeba: current tolerance=0.00001724
 ---------------------------------------
ENTHALPY =     -7785.85543
  energy =     -7786.91280
Pressure =          0.20000
GPa
Volume   =       5716.20827
 ---------------------------------------
ENTHALPY =     -7786.08639
  energy =     -7787.05096
Pressure =          0.20000
GPa
Volume   =       5214.51335
Amoeba: current tolerance=0.00001812
 ---------------------------------------
ENTHALPY =     -7785.99709
  energy =     -7787.01426
Pressure =          0.20000
GPa
Volume   =       5498.86921
Amoeba: current tolerance=0.00001665
 ---------------------------------------
ENTHALPY =     -7785.87934
  energy =     -7786.85542
Pressure =          0.20000
GPa
Volume   =       5276.71095
 ---------------------------------------
ENTHALPY =     -7786.04784
  energy =     -7787.05197
Pressure =          0.20000
GPa
Volume   =       5428.39279
Amoeba: current tolerance=0.00001544
 ---------------------------------------
ENTHALPY =     -7785.98044
  energy =     -7786.87639
Pressure =          0.20000
GPa
Volume   =       4843.57893
 ---------------------------------------
ENTHALPY =     -7786.06267
  energy =     -7787.00400
Pressure =          0.20000
GPa
Volume   =       5088.82868
Amoeba: current tolerance=0.00001173
 ---------------------------------------
ENTHALPY =     -7786.04416
  energy =     -7786.99735
Pressure =          0.20000
GPa
Volume   =       5153.03453
Amoeba: current tolerance=0.00001172
 ---------------------------------------
ENTHALPY =     -7786.04284
  energy =     -7787.03096
Pressure =          0.20000
GPa
Volume   =       5341.83493
Amoeba: current tolerance=0.00001147
 ---------------------------------------
ENTHALPY =     -7785.94891
  energy =     -7786.88832
Pressure =          0.20000
GPa
Volume   =       5078.48789
 ---------------------------------------
ENTHALPY =     -7786.06675
  energy =     -7787.06429
Pressure =          0.20000
GPa
Volume   =       5392.76905
Amoeba: current tolerance=0.00001089
 ---------------------------------------
ENTHALPY =     -7786.01481
  energy =     -7786.95702
Pressure =          0.20000
GPa
Volume   =       5093.66106
Amoeba: current tolerance=0.00001042
 ---------------------------------------
ENTHALPY =     -7785.96083
  energy =     -7786.91308
Pressure =          0.20000
GPa
Volume   =       5147.91027
 ---------------------------------------
ENTHALPY =     -7786.07790
  energy =     -7787.06223
Pressure =          0.20000
GPa
Volume   =       5321.34176
Amoeba: current tolerance=0.00000929
 ---------------------------------------
ENTHALPY =     -7786.02057
  energy =     -7787.05539
Pressure =          0.20000
GPa
Volume   =       5594.32095
Amoeba: current tolerance=0.00000919
 ---------------------------------------
ENTHALPY =     -7786.00675
  energy =     -7787.03624
Pressure =          0.20000
GPa
Volume   =       5565.50013
 ---------------------------------------
ENTHALPY =     -7786.06931
  energy =     -7787.03279
Pressure =          0.20000
GPa
Volume   =       5208.63371
Amoeba: current tolerance=0.00000845
 ---------------------------------------
ENTHALPY =     -7786.01343
  energy =     -7786.94061
Pressure =          0.20000
GPa
Volume   =       5012.36868
 ---------------------------------------
ENTHALPY =     -7786.08507
  energy =     -7787.09170
Pressure =          0.20000
GPa
Volume   =       5441.89244
Amoeba: current tolerance=0.00000644
 ---------------------------------------
ENTHALPY =     -7786.07615
  energy =     -7787.02624
Pressure =          0.20000
GPa
Volume   =       5136.23701
Amoeba: current tolerance=0.00000561
 ---------------------------------------
ENTHALPY =     -7786.00954
  energy =     -7787.01722
Pressure =          0.20000
GPa
Volume   =       5447.58733
 ---------------------------------------
ENTHALPY =     -7786.09180
  energy =     -7787.05700
Pressure =          0.20000
GPa
Volume   =       5217.95516
Amoeba: current tolerance=0.00000629
 ---------------------------------------
ENTHALPY =     -7786.00966
  energy =     -7786.97668
Pressure =          0.20000
GPa
Volume   =       5227.73117
 ---------------------------------------
ENTHALPY =     -7786.08234
  energy =     -7787.06484
Pressure =          0.20000
GPa
Volume   =       5311.43184
Amoeba: current tolerance=0.00000613
 ---------------------------------------
ENTHALPY =     -7786.04641
  energy =     -7787.00238
Pressure =          0.20000
GPa
Volume   =       5168.01282
Amoeba: current tolerance=0.00000612
 ---------------------------------------
ENTHALPY =     -7785.99635
  energy =     -7786.99871
Pressure =          0.20000
GPa
Volume   =       5418.82222
 ---------------------------------------
ENTHALPY =     -7786.08756
  energy =     -7787.05188
Pressure =          0.20000
GPa
Volume   =       5213.13136
Amoeba: current tolerance=0.00000591
 ---------------------------------------
ENTHALPY =     -7786.05710
  energy =     -7786.99980
Pressure =          0.20000
GPa
Volume   =       5096.29844
Amoeba: current tolerance=0.00000583
 ---------------------------------------
ENTHALPY =     -7786.00850
  energy =     -7786.99691
Pressure =          0.20000
GPa
Volume   =       5343.41641
 ---------------------------------------
ENTHALPY =     -7786.08711
  energy =     -7787.05095
Pressure =          0.20000
GPa
Volume   =       5210.60115
Amoeba: current tolerance=0.00000565
 ---------------------------------------
ENTHALPY =     -7786.06527
  energy =     -7786.99874
Pressure =          0.20000
GPa
Volume   =       5046.38534
Amoeba: current tolerance=0.00000446
 ---------------------------------------
ENTHALPY =     -7786.05085
  energy =     -7787.04406
Pressure =          0.20000
GPa
Volume   =       5369.29642
 ---------------------------------------
ENTHALPY =     -7786.09400
  energy =     -7787.04918
Pressure =          0.20000
GPa
Volume   =       5163.71157
Amoeba: current tolerance=0.00000402
 ---------------------------------------
ENTHALPY =     -7786.08781
  energy =     -7787.08471
Pressure =          0.20000
GPa
Volume   =       5389.28998
Amoeba: current tolerance=0.00000369
 ---------------------------------------
ENTHALPY =     -7786.05486
  energy =     -7787.07056
Pressure =          0.20000
GPa
Volume   =       5490.87946
 ---------------------------------------
ENTHALPY =     -7786.09652
  energy =     -7787.05026
Pressure =          0.20000
GPa
Volume   =       5155.93341
Amoeba: current tolerance=0.00000382
 ---------------------------------------
ENTHALPY =     -7786.09086
  energy =     -7787.03505
Pressure =          0.20000
GPa
Volume   =       5104.36775
Amoeba: current tolerance=0.00000350
 ---------------------------------------
ENTHALPY =     -7786.07387
  energy =     -7787.04915
Pressure =          0.20000
GPa
Volume   =       5272.39879
 ---------------------------------------
ENTHALPY =     -7786.09828
  energy =     -7787.07034
Pressure =          0.20000
GPa
Volume   =       5255.00257
Amoeba: current tolerance=0.00000284
 ---------------------------------------
ENTHALPY =     -7786.08000
  energy =     -7787.07201
Pressure =          0.20000
GPa
Volume   =       5362.84563
Amoeba: current tolerance=0.00000262
 ---------------------------------------
ENTHALPY =     -7786.09518
  energy =     -7787.05625
Pressure =          0.20000
GPa
Volume   =       5195.58590
Amoeba: current tolerance=0.00000235
 ---------------------------------------
ENTHALPY =     -7786.08650
  energy =     -7787.03308
Pressure =          0.20000
GPa
Volume   =       5117.28056
Amoeba: current tolerance=0.00000205
 ---------------------------------------
ENTHALPY =     -7786.10598
  energy =     -7787.05585
Pressure =          0.20000
GPa
Volume   =       5135.00754
 ---------------------------------------
ENTHALPY =     -7786.06360
  energy =     -7786.99794
Pressure =          0.20000
GPa
Volume   =       5051.11661
Amoeba: current tolerance=0.00000269
 ---------------------------------------
ENTHALPY =     -7786.09523
  energy =     -7787.01355
Pressure =          0.20000
GPa
Volume   =       4964.45769
Amoeba: current tolerance=0.00000252
 ---------------------------------------
ENTHALPY =     -7786.09143
  energy =     -7787.04256
Pressure =          0.20000
GPa
Volume   =       5141.87937
Amoeba: current tolerance=0.00000250
 ---------------------------------------
ENTHALPY =     -7786.10810
  energy =     -7787.07747
Pressure =          0.20000
GPa
Volume   =       5240.49222
 ---------------------------------------
ENTHALPY =     -7786.07010
  energy =     -7787.05158
Pressure =          0.20000
GPa
Volume   =       5305.92436
Amoeba: current tolerance=0.00000270
 ---------------------------------------
ENTHALPY =     -7786.08770
  energy =     -7787.04041
Pressure =          0.20000
GPa
Volume   =       5150.38573
Amoeba: current tolerance=0.00000264
 ---------------------------------------
ENTHALPY =     -7786.10939
  energy =     -7787.05983
Pressure =          0.20000
GPa
Volume   =       5138.10524
 ---------------------------------------
ENTHALPY =     -7786.08271
  energy =     -7787.02684
Pressure =          0.20000
GPa
Volume   =       5104.00162
Amoeba: current tolerance=0.00000279
 ---------------------------------------
ENTHALPY =     -7786.08660
  energy =     -7787.04817
Pressure =          0.20000
GPa
Volume   =       5198.29932
 ---------------------------------------
ENTHALPY =     -7786.10649
  energy =     -7787.06131
Pressure =          0.20000
GPa
Volume   =       5161.80454
Amoeba: current tolerance=0.00000277
 ---------------------------------------
ENTHALPY =     -7786.07416
  energy =     -7786.98497
Pressure =          0.20000
GPa
Volume   =       4923.87071
 ---------------------------------------
ENTHALPY =     -7786.10217
  energy =     -7787.07735
Pressure =          0.20000
GPa
Volume   =       5271.86880
Amoeba: current tolerance=0.00000238
 ---------------------------------------
ENTHALPY =     -7786.08498
  energy =     -7787.05287
Pressure =          0.20000
GPa
Volume   =       5232.43185
 ---------------------------------------
ENTHALPY =     -7786.10638
  energy =     -7787.05653
Pressure =          0.20000
GPa
Volume   =       5136.54352
Amoeba: current tolerance=0.00000231
 ---------------------------------------
ENTHALPY =     -7786.08518
  energy =     -7787.04709
Pressure =          0.20000
GPa
Volume   =       5200.10641
 ---------------------------------------
ENTHALPY =     -7786.09748
  energy =     -7787.05094
Pressure =          0.20000
GPa
Volume   =       5154.47041
Amoeba: current tolerance=0.00000226
 ---------------------------------------
ENTHALPY =     -7786.09151
  energy =     -7787.03672
Pressure =          0.20000
GPa
Volume   =       5109.84260
 ---------------------------------------
ENTHALPY =     -7786.10856
  energy =     -7787.06867
Pressure =          0.20000
GPa
Volume   =       5190.37538
Amoeba: current tolerance=0.00000198
 ---------------------------------------
ENTHALPY =     -7786.07739
  energy =     -7787.03387
Pressure =          0.20000
GPa
Volume   =       5170.80690
 ---------------------------------------
ENTHALPY =     -7786.09719
  energy =     -7787.05244
Pressure =          0.20000
GPa
Volume   =       5164.09220
Amoeba: current tolerance=0.00000183
 ---------------------------------------
ENTHALPY =     -7786.09870
  energy =     -7787.04909
Pressure =          0.20000
GPa
Volume   =       5137.85340
Amoeba: current tolerance=0.00000182
 ---------------------------------------
ENTHALPY =     -7786.07850
  energy =     -7787.07849
Pressure =          0.20000
GPa
Volume   =       5405.95533
 ---------------------------------------
ENTHALPY =     -7786.11547
  energy =     -7787.05315
Pressure =          0.20000
GPa
Volume   =       5069.15550
Amoeba: current tolerance=0.00000243
 ---------------------------------------
ENTHALPY =     -7786.11186
  energy =     -7787.07107
Pressure =          0.20000
GPa
Volume   =       5185.57930
Amoeba: current tolerance=0.00000235
 ---------------------------------------
ENTHALPY =     -7786.10332
  energy =     -7787.06168
Pressure =          0.20000
GPa
Volume   =       5180.95127
Amoeba: current tolerance=0.00000231
 ---------------------------------------
ENTHALPY =     -7786.12054
  energy =     -7787.08143
Pressure =          0.20000
GPa
Volume   =       5194.61440
 ---------------------------------------
ENTHALPY =     -7786.09573
  energy =     -7787.06039
Pressure =          0.20000
GPa
Volume   =       5214.98327
Amoeba: current tolerance=0.00000286
 ---------------------------------------
ENTHALPY =     -7786.09952
  energy =     -7787.04032
Pressure =          0.20000
GPa
Volume   =       5086.01303
Amoeba: current tolerance=0.00000280
 ---------------------------------------
ENTHALPY =     -7786.09251
  energy =     -7787.05427
Pressure =          0.20000
GPa
Volume   =       5199.32131
 ---------------------------------------
ENTHALPY =     -7786.11139
  energy =     -7787.06416
Pressure =          0.20000
GPa
Volume   =       5150.71954
Amoeba: current tolerance=0.00000270
 ---------------------------------------
ENTHALPY =     -7786.09820
  energy =     -7787.07074
Pressure =          0.20000
GPa
Volume   =       5257.61477
 ---------------------------------------
ENTHALPY =     -7786.11166
  energy =     -7787.06024
Pressure =          0.20000
GPa
Volume   =       5128.11401
Amoeba: current tolerance=0.00000236
 ---------------------------------------
ENTHALPY =     -7786.11827
  energy =     -7787.05191
Pressure =          0.20000
GPa
Volume   =       5047.29677
Amoeba: current tolerance=0.00000221
 ---------------------------------------
ENTHALPY =     -7786.11442
  energy =     -7787.06060
Pressure =          0.20000
GPa
Volume   =       5115.11934
Amoeba: current tolerance=0.00000187
 ---------------------------------------
ENTHALPY =     -7786.11662
  energy =     -7787.07068
Pressure =          0.20000
GPa
Volume   =       5157.67977
Amoeba: current tolerance=0.00000182
 ---------------------------------------
ENTHALPY =     -7786.09868
  energy =     -7787.05295
Pressure =          0.20000
GPa
Volume   =       5158.82129
 ---------------------------------------
ENTHALPY =     -7786.11933
  energy =     -7787.07051
Pressure =          0.20000
GPa
Volume   =       5142.13997
Amoeba: current tolerance=0.00000180
 ---------------------------------------
ENTHALPY =     -7786.11291
  energy =     -7787.06198
Pressure =          0.20000
GPa
Volume   =       5130.69531
Amoeba: current tolerance=0.00000160
 ---------------------------------------
ENTHALPY =     -7786.08316
  energy =     -7787.01513
Pressure =          0.20000
GPa
Volume   =       5038.27693
 ---------------------------------------
ENTHALPY =     -7786.11811
  energy =     -7787.07782
Pressure =          0.20000
GPa
Volume   =       5188.26105
Amoeba: current tolerance=0.00000154
 ---------------------------------------
ENTHALPY =     -7786.11748
  energy =     -7787.05785
Pressure =          0.20000
GPa
Volume   =       5083.71802
Amoeba: current tolerance=0.00000143
 ---------------------------------------
ENTHALPY =     -7786.10627
  energy =     -7787.05495
Pressure =          0.20000
GPa
Volume   =       5128.61367
 ---------------------------------------
ENTHALPY =     -7786.12022
  energy =     -7787.07009
Pressure =          0.20000
GPa
Volume   =       5135.00746
Amoeba: current tolerance=0.00000117
 ---------------------------------------
ENTHALPY =     -7786.11752
  energy =     -7787.06337
Pressure =          0.20000
GPa
Volume   =       5113.32271
Amoeba: current tolerance=0.00000114
 ---------------------------------------
ENTHALPY =     -7786.11153
  energy =     -7787.06078
Pressure =          0.20000
GPa
Volume   =       5131.72294
 ---------------------------------------
ENTHALPY =     -7786.12069
  energy =     -7787.06944
Pressure =          0.20000
GPa
Volume   =       5128.97243
Amoeba: current tolerance=0.00000113
 ---------------------------------------
ENTHALPY =     -7786.09690
  energy =     -7787.03406
Pressure =          0.20000
GPa
Volume   =       5066.31114
 ---------------------------------------
ENTHALPY =     -7786.11441
  energy =     -7787.06801
Pressure =          0.20000
GPa
Volume   =       5155.21169
Amoeba: current tolerance=0.00000100
 ---------------------------------------
ENTHALPY =     -7786.11423
  energy =     -7787.06210
Pressure =          0.20000
GPa
Volume   =       5124.26008
 ---------------------------------------
ENTHALPY =     -7786.11761
  energy =     -7787.06575
Pressure =          0.20000
GPa
Volume   =       5125.69581
Amoeba: current tolerance=0.00000081
 ---------------------------------------
ENTHALPY =     -7786.11595
  energy =     -7787.05837
Pressure =          0.20000
GPa
Volume   =       5094.73278
Amoeba: current tolerance=0.00000081
 ---------------------------------------
ENTHALPY =     -7786.11429
  energy =     -7787.06350
Pressure =          0.20000
GPa
Volume   =       5131.51919
 ---------------------------------------
ENTHALPY =     -7786.11046
  energy =     -7787.05737
Pressure =          0.20000
GPa
Volume   =       5119.05301
 ---------------------------------------
ENTHALPY =     -7786.11617
  energy =     -7787.07037
Pressure =          0.20000
GPa
Volume   =       5158.46641
 ---------------------------------------
ENTHALPY =     -7786.12319
  energy =     -7787.06875
Pressure =          0.20000
GPa
Volume   =       5111.76193
 ---------------------------------------
ENTHALPY =     -7786.12430
  energy =     -7787.06886
Pressure =          0.20000
GPa
Volume   =       5106.33069
 ---------------------------------------
ENTHALPY =     -7786.11855
  energy =     -7787.07336
Pressure =          0.20000
GPa
Volume   =       5161.74704
 ---------------------------------------
ENTHALPY =     -7786.12109
  energy =     -7787.06835
Pressure =          0.20000
GPa
Volume   =       5120.93408
 ---------------------------------------
ENTHALPY =     -7786.11995
  energy =     -7787.06991
Pressure =          0.20000
GPa
Volume   =       5135.54365
 ---------------------------------------
ENTHALPY =     -7786.12220
  energy =     -7787.06539
Pressure =          0.20000
GPa
Volume   =       5098.88811
 ---------------------------------------
ENTHALPY =     -7786.11914
  energy =     -7787.06032
Pressure =          0.20000
GPa
Volume   =       5088.06880
 ---------------------------------------
ENTHALPY =     -7786.11694
  energy =     -7787.06538
Pressure =          0.20000
GPa
Volume   =       5127.30909
 ---------------------------------------
ENTHALPY =     -7786.12465
  energy =     -7787.07210
Pressure =          0.20000
GPa
Volume   =       5121.96976
 ---------------------------------------
ENTHALPY =     -7786.11847
  energy =     -7787.06776
Pressure =          0.20000
GPa
Volume   =       5131.92319
 ---------------------------------------
ENTHALPY =     -7786.12054
  energy =     -7787.07192
Pressure =          0.20000
GPa
Volume   =       5143.20443
Amoeba: current tolerance=0.00000109
 ---------------------------------------
ENTHALPY =     -7786.11623
  energy =     -7787.05741
Pressure =          0.20000
GPa
Volume   =       5088.08950
 ---------------------------------------
ENTHALPY =     -7786.12365
  energy =     -7787.06805
Pressure =          0.20000
GPa
Volume   =       5105.47384
Amoeba: current tolerance=0.00000099
 ---------------------------------------
ENTHALPY =     -7786.12381
  energy =     -7787.06999
Pressure =          0.20000
GPa
Volume   =       5115.08433
Amoeba: current tolerance=0.00000079
 ---------------------------------------
ENTHALPY =     -7786.11757
  energy =     -7787.06237
Pressure =          0.20000
GPa
Volume   =       5107.63208
 ---------------------------------------
ENTHALPY =     -7786.11836
  energy =     -7787.06653
Pressure =          0.20000
GPa
Volume   =       5125.84671
 ---------------------------------------
ENTHALPY =     -7786.12107
  energy =     -7787.06699
Pressure =          0.20000
GPa
Volume   =       5113.69350
 ---------------------------------------
ENTHALPY =     -7786.12182
  energy =     -7787.06832
Pressure =          0.20000
GPa
Volume   =       5116.85790
 ---------------------------------------
ENTHALPY =     -7786.12187
  energy =     -7787.06787
Pressure =          0.20000
GPa
Volume   =       5114.12965
 ---------------------------------------
ENTHALPY =     -7786.12146
  energy =     -7787.07259
Pressure =          0.20000
GPa
Volume   =       5141.85199
 ---------------------------------------
ENTHALPY =     -7786.12056
  energy =     -7787.06790
Pressure =          0.20000
GPa
Volume   =       5121.39687
 ---------------------------------------
ENTHALPY =     -7786.12144
  energy =     -7787.07014
Pressure =          0.20000
GPa
Volume   =       5128.73249
 ---------------------------------------
ENTHALPY =     -7786.12033
  energy =     -7787.06564
Pressure =          0.20000
GPa
Volume   =       5110.38594
 ---------------------------------------
ENTHALPY =     -7786.11538
  energy =     -7787.05969
Pressure =          0.20000
GPa
Volume   =       5104.98466
 ---------------------------------------
ENTHALPY =     -7786.12250
  energy =     -7787.07059
Pressure =          0.20000
GPa
Volume   =       5125.45239
 ---------------------------------------
ENTHALPY =     -7786.12157
  energy =     -7787.06838
Pressure =          0.20000
GPa
Volume   =       5118.52430
 ---------------------------------------
ENTHALPY =     -7786.11962
  energy =     -7787.06799
Pressure =          0.20000
GPa
Volume   =       5126.93814
 ---------------------------------------
ENTHALPY =     -7786.12239
  energy =     -7787.07180
Pressure =          0.20000
GPa
Volume   =       5132.53766
Amoeba: current tolerance=0.00000119
 ---------------------------------------
ENTHALPY =     -7786.11715
  energy =     -7787.06802
Pressure =          0.20000
GPa
Volume   =       5140.43570
 ---------------------------------------
ENTHALPY =     -7786.11888
  energy =     -7787.06811
Pressure =          0.20000
GPa
Volume   =       5131.55973
Amoeba: current tolerance=0.00000074
 ---------------------------------------
ENTHALPY =     -7786.12067
  energy =     -7787.06661
Pressure =          0.20000
GPa
Volume   =       5113.83387
Amoeba: current tolerance=0.00000064
 ---------------------------------------
ENTHALPY =     -7786.12537
  energy =     -7787.07176
Pressure =          0.20000
GPa
Volume   =       5116.26398
 ---------------------------------------
ENTHALPY =     -7786.11567
  energy =     -7787.06108
Pressure =          0.20000
GPa
Volume   =       5110.93022
Amoeba: current tolerance=0.00000065
 ---------------------------------------
ENTHALPY =     -7786.12334
  energy =     -7787.07298
Pressure =          0.20000
GPa
Volume   =       5133.84144
Amoeba: current tolerance=0.00000062
 ---------------------------------------
ENTHALPY =     -7786.12284
  energy =     -7787.07084
Pressure =          0.20000
GPa
Volume   =       5124.94752
Amoeba: current tolerance=0.00000060
 ---------------------------------------
ENTHALPY =     -7786.12317
  energy =     -7787.07290
Pressure =          0.20000
GPa
Volume   =       5134.29317
Amoeba: current tolerance=0.00000055
 ---------------------------------------
ENTHALPY =     -7786.12147
  energy =     -7787.07187
Pressure =          0.20000
GPa
Volume   =       5137.93385
Amoeba: current tolerance=0.00000050
 ---------------------------------------
ENTHALPY =     -7786.12520
  energy =     -7787.07309
Pressure =          0.20000
GPa
Volume   =       5124.35152
Amoeba: current tolerance=0.00000050
 ---------------------------------------
ENTHALPY =     -7786.11673
  energy =     -7787.06166
Pressure =          0.20000
GPa
Volume   =       5108.31855
 ---------------------------------------
ENTHALPY =     -7786.12326
  energy =     -7787.07283
Pressure =          0.20000
GPa
Volume   =       5133.46383
Amoeba: current tolerance=0.00000050
 ---------------------------------------
ENTHALPY =     -7786.12195
  energy =     -7787.06748
Pressure =          0.20000
GPa
Volume   =       5111.56666
Amoeba: current tolerance=0.00000049
 ---------------------------------------
ENTHALPY =     -7786.12304
  energy =     -7787.07193
Pressure =          0.20000
GPa
Volume   =       5129.74704
Amoeba: current tolerance=0.00000046
 ---------------------------------------
ENTHALPY =     -7786.12225
  energy =     -7787.07185
Pressure =          0.20000
GPa
Volume   =       5133.58738
Amoeba: current tolerance=0.00000045
 ---------------------------------------
ENTHALPY =     -7786.12106
  energy =     -7787.07177
Pressure =          0.20000
GPa
Volume   =       5139.55377
 ---------------------------------------
ENTHALPY =     -7786.12045
  energy =     -7787.06763
Pressure =          0.20000
GPa
Volume   =       5120.47164
 ---------------------------------------
ENTHALPY =     -7786.12130
  energy =     -7787.06726
Pressure =          0.20000
GPa
Volume   =       5113.91213
 ---------------------------------------
ENTHALPY =     -7786.12385
  energy =     -7787.07184
Pressure =          0.20000
GPa
Volume   =       5124.91475
 ---------------------------------------
ENTHALPY =     -7786.12132
  energy =     -7787.06752
Pressure =          0.20000
GPa
Volume   =       5115.19926
 ---------------------------------------
ENTHALPY =     -7786.12385
  energy =     -7787.07183
Pressure =          0.20000
GPa
Volume   =       5124.86210
 ---------------------------------------
ENTHALPY =     -7786.12412
  energy =     -7787.07132
Pressure =          0.20000
GPa
Volume   =       5120.59309
 ---------------------------------------
ENTHALPY =     -7786.12537
  energy =     -7787.07251
Pressure =          0.20000
GPa
Volume   =       5120.30596
 ---------------------------------------
ENTHALPY =     -7786.12441
  energy =     -7787.07243
Pressure =          0.20000
GPa
Volume   =       5125.04673
 ---------------------------------------
ENTHALPY =     -7786.12392
  energy =     -7787.07198
Pressure =          0.20000
GPa
Volume   =       5125.27248
 ---------------------------------------
ENTHALPY =     -7786.12401
  energy =     -7787.07125
Pressure =          0.20000
GPa
Volume   =       5120.85819
 ---------------------------------------
ENTHALPY =     -7786.12424
  energy =     -7787.07188
Pressure =          0.20000
GPa
Volume   =       5123.00083
 ---------------------------------------
ENTHALPY =     -7786.12468
  energy =     -7787.07160
Pressure =          0.20000
GPa
Volume   =       5119.11400
 ---------------------------------------
ENTHALPY =     -7786.12389
  energy =     -7787.07179
Pressure =          0.20000
GPa
Volume   =       5124.38590
Amoeba: current tolerance=0.00000052
 ---------------------------------------
ENTHALPY =     -7786.12298
  energy =     -7787.07181
Pressure =          0.20000
GPa
Volume   =       5129.41518
Amoeba: current tolerance=0.00000052
 ---------------------------------------
ENTHALPY =     -7786.12226
  energy =     -7787.07129
Pressure =          0.20000
GPa
Volume   =       5130.48193
 ---------------------------------------
ENTHALPY =     -7786.12328
  energy =     -7787.07160
Pressure =          0.20000
GPa
Volume   =       5126.65580
Amoeba: current tolerance=0.00000031
 ---------------------------------------
ENTHALPY =     -7786.12083
  energy =     -7787.06714
Pressure =          0.20000
GPa
Volume   =       5115.81771
 ---------------------------------------
ENTHALPY =     -7786.12363
  energy =     -7787.07183
Pressure =          0.20000
GPa
Volume   =       5126.00660
Amoeba: current tolerance=0.00000027
 ---------------------------------------
ENTHALPY =     -7786.12054
  energy =     -7787.06734
Pressure =          0.20000
GPa
Volume   =       5118.44853
 ---------------------------------------
ENTHALPY =     -7786.12380
  energy =     -7787.07174
Pressure =          0.20000
GPa
Volume   =       5124.60235
Amoeba: current tolerance=0.00000022
 ---------------------------------------
ENTHALPY =     -7786.12500
  energy =     -7787.07188
Pressure =          0.20000
GPa
Volume   =       5118.86628
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12503
  energy =     -7787.07199
Pressure =          0.20000
GPa
Volume   =       5119.30971
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12516
  energy =     -7787.07190
Pressure =          0.20000
GPa
Volume   =       5118.12509
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12060
  energy =     -7787.06712
Pressure =          0.20000
GPa
Volume   =       5116.94561
 ---------------------------------------
ENTHALPY =     -7786.12425
  energy =     -7787.07187
Pressure =          0.20000
GPa
Volume   =       5122.91983
Amoeba: current tolerance=0.00000019
 ---------------------------------------
ENTHALPY =     -7786.12067
  energy =     -7787.06724
Pressure =          0.20000
GPa
Volume   =       5117.23203
 ---------------------------------------
ENTHALPY =     -7786.12428
  energy =     -7787.07184
Pressure =          0.20000
GPa
Volume   =       5122.59428
Amoeba: current tolerance=0.00000019
 ---------------------------------------
ENTHALPY =     -7786.12543
  energy =     -7787.07175
Pressure =          0.20000
GPa
Volume   =       5115.89459
 ---------------------------------------
ENTHALPY =     -7786.11503
  energy =     -7787.06049
Pressure =          0.20000
GPa
Volume   =       5111.21139
Amoeba: current tolerance=0.00000018
 ---------------------------------------
ENTHALPY =     -7786.11435
  energy =     -7787.06134
Pressure =          0.20000
GPa
Volume   =       5119.48169
 ---------------------------------------
ENTHALPY =     -7786.12442
  energy =     -7787.07160
Pressure =          0.20000
GPa
Volume   =       5120.51262
Amoeba: current tolerance=0.00000017
 ---------------------------------------
ENTHALPY =     -7786.12545
  energy =     -7787.07248
Pressure =          0.20000
GPa
Volume   =       5119.73821
 ---------------------------------------
ENTHALPY =     -7786.12599
  energy =     -7787.07295
Pressure =          0.20000
GPa
Volume   =       5119.32299
Amoeba: current tolerance=0.00000023
 ---------------------------------------
ENTHALPY =     -7786.12570
  energy =     -7787.07218
Pressure =          0.20000
GPa
Volume   =       5116.71102
Amoeba: current tolerance=0.00000022
 ---------------------------------------
ENTHALPY =     -7786.12593
  energy =     -7787.07223
Pressure =          0.20000
GPa
Volume   =       5115.75988
Amoeba: current tolerance=0.00000022
 ---------------------------------------
ENTHALPY =     -7786.12142
  energy =     -7787.06757
Pressure =          0.20000
GPa
Volume   =       5114.94989
 ---------------------------------------
ENTHALPY =     -7786.12476
  energy =     -7787.07197
Pressure =          0.20000
GPa
Volume   =       5120.67957
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12142
  energy =     -7787.06698
Pressure =          0.20000
GPa
Volume   =       5111.76868
 ---------------------------------------
ENTHALPY =     -7786.12484
  energy =     -7787.07225
Pressure =          0.20000
GPa
Volume   =       5121.72412
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12612
  energy =     -7787.07256
Pressure =          0.20000
GPa
Volume   =       5116.49829
 ---------------------------------------
ENTHALPY =     -7786.12688
  energy =     -7787.07295
Pressure =          0.20000
GPa
Volume   =       5114.49396
Amoeba: current tolerance=0.00000028
 ---------------------------------------
ENTHALPY =     -7786.12614
  energy =     -7787.07269
Pressure =          0.20000
GPa
Volume   =       5117.12740
Amoeba: current tolerance=0.00000027
 ---------------------------------------
ENTHALPY =     -7786.12643
  energy =     -7787.07259
Pressure =          0.20000
GPa
Volume   =       5114.97131
Amoeba: current tolerance=0.00000026
 ---------------------------------------
ENTHALPY =     -7786.12183
  energy =     -7787.06759
Pressure =          0.20000
GPa
Volume   =       5112.80201
 ---------------------------------------
ENTHALPY =     -7786.12529
  energy =     -7787.07228
Pressure =          0.20000
GPa
Volume   =       5119.49179
Amoeba: current tolerance=0.00000024
 ---------------------------------------
ENTHALPY =     -7786.12646
  energy =     -7787.07276
Pressure =          0.20000
GPa
Volume   =       5115.75941
Amoeba: current tolerance=0.00000024
 ---------------------------------------
ENTHALPY =     -7786.12666
  energy =     -7787.07277
Pressure =          0.20000
GPa
Volume   =       5114.72484
Amoeba: current tolerance=0.00000022
 ---------------------------------------
ENTHALPY =     -7786.12676
  energy =     -7787.07299
Pressure =          0.20000
GPa
Volume   =       5115.35749
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12694
  energy =     -7787.07279
Pressure =          0.20000
GPa
Volume   =       5113.29041
 ---------------------------------------
ENTHALPY =     -7786.12774
  energy =     -7787.07301
Pressure =          0.20000
GPa
Volume   =       5110.19556
Amoeba: current tolerance=0.00000030
 ---------------------------------------
ENTHALPY =     -7786.12710
  energy =     -7787.07335
Pressure =          0.20000
GPa
Volume   =       5115.50355
Amoeba: current tolerance=0.00000030
 ---------------------------------------
ENTHALPY =     -7786.12756
  energy =     -7787.07292
Pressure =          0.20000
GPa
Volume   =       5110.67097
Amoeba: current tolerance=0.00000030
 ---------------------------------------
ENTHALPY =     -7786.12264
  energy =     -7787.06866
Pressure =          0.20000
GPa
Volume   =       5114.21625
 ---------------------------------------
ENTHALPY =     -7786.12607
  energy =     -7787.07231
Pressure =          0.20000
GPa
Volume   =       5115.46938
Amoeba: current tolerance=0.00000026
 ---------------------------------------
ENTHALPY =     -7786.12749
  energy =     -7787.07332
Pressure =          0.20000
GPa
Volume   =       5113.18177
Amoeba: current tolerance=0.00000023
 ---------------------------------------
ENTHALPY =     -7786.12752
  energy =     -7787.07345
Pressure =          0.20000
GPa
Volume   =       5113.70038
Amoeba: current tolerance=0.00000022
 ---------------------------------------
ENTHALPY =     -7786.11689
  energy =     -7787.06198
Pressure =          0.20000
GPa
Volume   =       5109.20584
 ---------------------------------------
ENTHALPY =     -7786.12647
  energy =     -7787.07297
Pressure =          0.20000
GPa
Volume   =       5116.79128
Amoeba: current tolerance=0.00000021
 ---------------------------------------
ENTHALPY =     -7786.12771
  energy =     -7787.07356
Pressure =          0.20000
GPa
Volume   =       5113.27854
Amoeba: current tolerance=0.00000021
 ---------------------------------------
ENTHALPY =     -7786.12790
  energy =     -7787.07332
Pressure =          0.20000
GPa
Volume   =       5110.98683
 ---------------------------------------
ENTHALPY =     -7786.12370
  energy =     -7787.06855
Pressure =          0.20000
GPa
Volume   =       5107.93491
Amoeba: current tolerance=0.00000019
 ---------------------------------------
ENTHALPY =     -7786.12787
  energy =     -7787.07356
Pressure =          0.20000
GPa
Volume   =       5112.46755
Amoeba: current tolerance=0.00000019
 ---------------------------------------
ENTHALPY =     -7786.12317
  energy =     -7787.06862
Pressure =          0.20000
GPa
Volume   =       5111.14314
 ---------------------------------------
ENTHALPY =     -7786.12690
  energy =     -7787.07299
Pressure =          0.20000
GPa
Volume   =       5114.60038
Amoeba: current tolerance=0.00000018
 ---------------------------------------
ENTHALPY =     -7786.11712
  energy =     -7787.06231
Pressure =          0.20000
GPa
Volume   =       5109.73478
 ---------------------------------------
ENTHALPY =     -7786.12692
  energy =     -7787.07309
Pressure =          0.20000
GPa
Volume   =       5115.02641
Amoeba: current tolerance=0.00000016
 ---------------------------------------
ENTHALPY =     -7786.12309
  energy =     -7787.06867
Pressure =          0.20000
GPa
Volume   =       5111.85828
 ---------------------------------------
ENTHALPY =     -7786.12703
  energy =     -7787.07301
Pressure =          0.20000
GPa
Volume   =       5114.00513
Amoeba: current tolerance=0.00000015
 ---------------------------------------
ENTHALPY =     -7786.12799
  energy =     -7787.07341
Pressure =          0.20000
GPa
Volume   =       5110.99310
 ---------------------------------------
ENTHALPY =     -7786.11750
  energy =     -7787.06252
Pressure =          0.20000
GPa
Volume   =       5108.81260
Amoeba: current tolerance=0.00000014
 ---------------------------------------
ENTHALPY =     -7786.12807
  energy =     -7787.07355
Pressure =          0.20000
GPa
Volume   =       5111.28127
 ---------------------------------------
ENTHALPY =     -7786.12860
  energy =     -7787.07377
Pressure =          0.20000
GPa
Volume   =       5109.68794
Amoeba: current tolerance=0.00000022
 ---------------------------------------
ENTHALPY =     -7786.12834
  energy =     -7787.07364
Pressure =          0.20000
GPa
Volume   =       5110.35120
Amoeba: current tolerance=0.00000021
 ---------------------------------------
ENTHALPY =     -7786.12856
  energy =     -7787.07364
Pressure =          0.20000
GPa
Volume   =       5109.14224
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12868
  energy =     -7787.07380
Pressure =          0.20000
GPa
Volume   =       5109.35783
 ---------------------------------------
ENTHALPY =     -7786.11843
  energy =     -7787.06312
Pressure =          0.20000
GPa
Volume   =       5107.04462
Amoeba: current tolerance=0.00000020
 ---------------------------------------
ENTHALPY =     -7786.12893
  energy =     -7787.07359
Pressure =          0.20000
GPa
Volume   =       5106.83834
 ---------------------------------------
ENTHALPY =     -7786.12347
  energy =     -7787.06732
Pressure =          0.20000
GPa
Volume   =       5102.52069
Amoeba: current tolerance=0.00000019
 ---------------------------------------
ENTHALPY =     -7786.12878
  energy =     -7787.07367
Pressure =          0.20000
GPa
Volume   =       5108.09565
Amoeba: current tolerance=0.00000018
 ---------------------------------------
ENTHALPY =     -7786.12398
  energy =     -7787.06860
Pressure =          0.20000
GPa
Volume   =       5106.64799
 ---------------------------------------
ENTHALPY =     -7786.12789
  energy =     -7787.07349
Pressure =          0.20000
GPa
Volume   =       5111.93431
Amoeba: current tolerance=0.00000018
 ---------------------------------------
ENTHALPY =     -7786.12872
  energy =     -7787.07394
Pressure =          0.20000
GPa
Volume   =       5109.88121
Amoeba: current tolerance=0.00000016
 ---------------------------------------
ENTHALPY =     -7786.12896
  energy =     -7787.07359
Pressure =          0.20000
GPa
Volume   =       5106.70993
 ---------------------------------------
ENTHALPY =     -7786.12320
  energy =     -7787.06722
Pressure =          0.20000
GPa
Volume   =       5103.43102
Amoeba: current tolerance=0.00000016
 ---------------------------------------
ENTHALPY =     -7786.12266
  energy =     -7787.06775
Pressure =          0.20000
GPa
Volume   =       5109.21113
 ---------------------------------------
ENTHALPY =     -7786.12812
  energy =     -7787.07335
Pressure =          0.20000
GPa
Volume   =       5109.94841
Amoeba: current tolerance=0.00000014
 ---------------------------------------
ENTHALPY =     -7786.12908
  energy =     -7787.07367
Pressure =          0.20000
GPa
Volume   =       5106.52092
 ---------------------------------------
ENTHALPY =     -7786.12472
  energy =     -7787.06877
Pressure =          0.20000
GPa
Volume   =       5103.55385
Amoeba: current tolerance=0.00000015
 ---------------------------------------
ENTHALPY =     -7786.12921
  energy =     -7787.07373
Pressure =          0.20000
GPa
Volume   =       5106.15303
 ---------------------------------------
ENTHALPY =     -7786.11888
  energy =     -7787.06287
Pressure =          0.20000
GPa
Volume   =       5103.27018
Amoeba: current tolerance=0.00000017
 ---------------------------------------
ENTHALPY =     -7786.12939
  energy =     -7787.07395
Pressure =          0.20000
GPa
Volume   =       5106.29785
 ---------------------------------------
ENTHALPY =     -7786.12374
  energy =     -7787.06786
Pressure =          0.20000
GPa
Volume   =       5103.96536
Amoeba: current tolerance=0.00000018
 ---------------------------------------
ENTHALPY =     -7786.11858
  energy =     -7787.06299
Pressure =          0.20000
GPa
Volume   =       5105.52345
 ---------------------------------------
ENTHALPY =     -7786.12840
  energy =     -7787.07357
Pressure =          0.20000
GPa
Volume   =       5109.61768
Amoeba: current tolerance=0.00000016
 ---------------------------------------
ENTHALPY =     -7786.12312
  energy =     -7787.06771
Pressure =          0.20000
GPa
Volume   =       5106.49636
 ---------------------------------------
ENTHALPY =     -7786.12848
  energy =     -7787.07355
Pressure =          0.20000
GPa
Volume   =       5109.08363
Amoeba: current tolerance=0.00000014
 ---------------------------------------
ENTHALPY =     -7786.12932
  energy =     -7787.07379
Pressure =          0.20000
GPa
Volume   =       5105.87955
Amoeba: current tolerance=0.00000013
 ---------------------------------------
ENTHALPY =     -7786.12307
  energy =     -7787.06757
Pressure =          0.20000
GPa
Volume   =       5105.99515
 ---------------------------------------
ENTHALPY =     -7786.12866
  energy =     -7787.07366
Pressure =          0.20000
GPa
Volume   =       5108.70955
Amoeba: current tolerance=0.00000012
 ---------------------------------------
ENTHALPY =     -7786.12301
  energy =     -7787.06759
Pressure =          0.20000
GPa
Volume   =       5106.46220
 ---------------------------------------
ENTHALPY =     -7786.12871
  energy =     -7787.07365
Pressure =          0.20000
GPa
Volume   =       5108.42753
Amoeba: current tolerance=0.00000011
 ---------------------------------------
ENTHALPY =     -7786.12296
  energy =     -7787.06751
Pressure =          0.20000
GPa
Volume   =       5106.28779
 ---------------------------------------
ENTHALPY =     -7786.12875
  energy =     -7787.07369
Pressure =          0.20000
GPa
Volume   =       5108.42677
Amoeba: current tolerance=0.00000010
 ---------------------------------------
ENTHALPY =     -7786.11827
  energy =     -7787.06268
Pressure =          0.20000
GPa
Volume   =       5105.53217
 ---------------------------------------
ENTHALPY =     -7786.12877
  energy =     -7787.07376
Pressure =          0.20000
GPa
Volume   =       5108.64715
Amoeba: current tolerance=0.00000009
Simplex finished after:     295 iterations.
 ---------------------------------------
ENTHALPY =     -7786.12939
  energy =     -7787.07395
Pressure =          0.20000
GPa
Volume   =       5106.29785
This is the best basis found:
PAO.BasisType split
%Block PAO.Basis
Te   3      0.49467
n=5   0   2   E    14.29187     5.08569
     5.93431     3.78268
     1.00000     1.00000
n=5   1   2   E   184.00604     5.88579
     6.40108     3.81590
     1.00000     1.00000
n=5   2   1   E   133.74204     2.26121
     5.47614
     1.00000
O    3     -0.24021
n=2   0   2   E    64.35698     2.24090
     4.39710     2.52029
     1.00000     1.00000
n=2   1   2   E     7.99069     4.88285
     6.12535     2.30982
     1.00000     1.00000
n=3   2   1   E    20.95104     3.07361
     5.07487
     1.00000
%EndBlock PAO.Basis
 Energy=    -7786.12939 eV
