element(s):
['Si']
AFLOW prototype label:
A_oF16_69_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474']
model name:
ThreeBodyCluster_BH_BiswasHamann_1987_Si__MO_019616213550_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.27623302 0.        ]
 [0.22815526 0.         0.        ]]
spacegroup =  69
cell =  [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:44      -64.338542         6.237300
BFGS:    1 16:00:44      -65.131751         5.766403
BFGS:    2 16:00:44      -65.846384         5.317770
BFGS:    3 16:00:44      -66.489333         4.890250
BFGS:    4 16:00:44      -67.066232         4.482790
BFGS:    5 16:00:44      -67.581968         4.094412
BFGS:    6 16:00:44      -68.040901         3.724235
BFGS:    7 16:00:44      -68.447061         3.371430
BFGS:    8 16:00:44      -68.804185         3.035238
BFGS:    9 16:00:44      -69.115787         2.714965
BFGS:   10 16:00:44      -69.385194         2.409979
BFGS:   11 16:00:44      -69.615575         2.119710
BFGS:   12 16:00:44      -69.809977         1.843657
BFGS:   13 16:00:44      -69.971359         1.581392
BFGS:   14 16:00:44      -70.102592         1.332594
BFGS:   15 16:00:44      -70.206558         1.097052
BFGS:   16 16:00:44      -70.286178         0.874736
BFGS:   17 16:00:44      -70.344524         0.665892
BFGS:   18 16:00:44      -70.384984         0.471254
BFGS:   19 16:00:44      -70.411647         0.356539
BFGS:   20 16:00:44      -70.429991         0.473040
BFGS:   21 16:00:44      -70.447341         0.551784
BFGS:   22 16:00:44      -70.469443         0.585921
BFGS:   23 16:00:44      -70.498145         0.578461
BFGS:   24 16:00:44      -70.533228         0.522708
BFGS:   25 16:00:44      -70.571835         0.381250
BFGS:   26 16:00:44      -70.595081         0.189844
BFGS:   27 16:00:44      -70.602573         0.080272
BFGS:   28 16:00:44      -70.603850         0.034435
BFGS:   29 16:00:44      -70.604021         0.032503
BFGS:   30 16:00:44      -70.604099         0.029207
BFGS:   31 16:00:44      -70.604241         0.023470
BFGS:   32 16:00:44      -70.604328         0.021228
BFGS:   33 16:00:44      -70.604394         0.021035
BFGS:   34 16:00:44      -70.604471         0.021304
BFGS:   35 16:00:44      -70.604620         0.020853
BFGS:   36 16:00:44      -70.604844         0.017933
BFGS:   37 16:00:44      -70.605055         0.014940
BFGS:   38 16:00:44      -70.605146         0.017575
BFGS:   39 16:00:44      -70.605175         0.018961
BFGS:   40 16:00:44      -70.605206         0.019744
BFGS:   41 16:00:44      -70.605279         0.020299
BFGS:   42 16:00:44      -70.605428         0.019925
BFGS:   43 16:00:44      -70.605660         0.015508
BFGS:   44 16:00:44      -70.605864         0.007232
BFGS:   45 16:00:44      -70.605940         0.001803
BFGS:   46 16:00:44      -70.605949         0.000284
BFGS:   47 16:00:44      -70.605949         0.000049
BFGS:   48 16:00:44      -70.605949         0.000004
BFGS:   49 16:00:44      -70.605949         0.000001
BFGS:   50 16:00:44      -70.605949         0.000000
BFGS:   51 16:00:44      -70.605949         0.000000
Minimization converged after 51 steps.
Maximum force component: 1.7648870335881907e-10 eV/Angstrom
Maximum stress component: 3.050471829905492e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[5.06427561e-37 2.50000000e-01 0.00000000e+00]
 [0.00000000e+00 7.50000000e-01 9.33441698e-33]
 [8.91984491e-37 7.50000000e-01 5.00000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 5.00000000e-01]
 [5.00000000e-01 7.50000000e-01 1.86688340e-32]
 [5.00000000e-01 2.50000000e-01 4.66720849e-33]
 [2.50000000e-01 1.00000000e+00 7.38357389e-38]
 [7.50000000e-01 1.00000000e+00 6.05379591e-37]
 [2.50000000e-01 5.00000000e-01 5.00000000e-01]
 [7.50000000e-01 5.00000000e-01 5.00000000e-01]
 [7.50000000e-01 1.00000000e+00 5.00000000e-01]
 [2.50000000e-01 1.00000000e+00 5.00000000e-01]
 [7.50000000e-01 5.00000000e-01 2.33360425e-33]
 [2.50000000e-01 5.00000000e-01 2.33360425e-33]]
cellpar =  Cell([[5.522664555771429, 7.603257347357297e-54, -1.1970606646724732e-37], [4.141514792139525e-53, 9.565535605018999, -1.968707712702829e-16], [-7.683655824464727e-37, -9.987489683825105e-17, 5.281937444063934]])
forces =  [[-6.80720963e-32 -1.76488703e-10  3.63235982e-27]
 [ 7.64129272e-64  1.76488703e-10 -3.63235982e-27]
 [-7.64129272e-64 -1.76488703e-10  3.63235982e-27]
 [ 7.64129272e-64  1.76488703e-10 -3.63235982e-27]
 [-1.70180241e-32 -1.76488703e-10  3.63235982e-27]
 [ 2.55270361e-32  1.76488703e-10 -3.63235982e-27]
 [ 2.55270361e-32 -1.76488703e-10  3.63235982e-27]
 [-8.50901203e-33  1.76488703e-10 -3.63235982e-27]
 [-1.05509156e-10  4.61644931e-49 -2.44143396e-32]
 [ 1.05509156e-10  6.15526574e-49 -3.25524528e-32]
 [-1.05509156e-10  3.07763287e-49 -1.62762264e-32]
 [ 1.05509156e-10  6.15526574e-49 -3.25524528e-32]
 [-1.05509156e-10  4.03939314e-49 -2.13625471e-32]
 [ 1.05509156e-10  6.15526574e-49 -3.25524528e-32]
 [-1.05509156e-10  3.07763287e-49 -1.62762264e-32]
 [ 1.05509156e-10  5.38585753e-49 -2.84833962e-32]]
stress =  [ 8.59762196e-11  1.22970936e-10 -3.05047183e-10 -7.86625424e-26
  8.45100847e-34  1.95847319e-50]
energy per atom =  -4.412871801723726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oF16_69_gh, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.