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 16:53:21      -64.338542        6.2373
BFGS:    1 16:53:21      -65.131751        5.7664
BFGS:    2 16:53:21      -65.846384        5.3178
BFGS:    3 16:53:21      -66.489333        4.8903
BFGS:    4 16:53:21      -67.066232        4.4828
BFGS:    5 16:53:21      -67.581968        4.0944
BFGS:    6 16:53:21      -68.040901        3.7242
BFGS:    7 16:53:21      -68.447061        3.3714
BFGS:    8 16:53:21      -68.804185        3.0352
BFGS:    9 16:53:21      -69.115787        2.7150
BFGS:   10 16:53:21      -69.385194        2.4100
BFGS:   11 16:53:21      -69.615575        2.1197
BFGS:   12 16:53:21      -69.809977        1.8437
BFGS:   13 16:53:21      -69.971359        1.5814
BFGS:   14 16:53:21      -70.102592        1.3326
BFGS:   15 16:53:21      -70.206558        1.0971
BFGS:   16 16:53:21      -70.286178        0.8747
BFGS:   17 16:53:21      -70.344524        0.6659
BFGS:   18 16:53:21      -70.384984        0.4713
BFGS:   19 16:53:21      -70.411647        0.3565
BFGS:   20 16:53:22      -70.429991        0.4730
BFGS:   21 16:53:22      -70.447341        0.5518
BFGS:   22 16:53:22      -70.469443        0.5859
BFGS:   23 16:53:22      -70.498145        0.5785
BFGS:   24 16:53:22      -70.533228        0.5227
BFGS:   25 16:53:22      -70.571835        0.3812
BFGS:   26 16:53:22      -70.595081        0.1898
BFGS:   27 16:53:22      -70.602573        0.0803
BFGS:   28 16:53:22      -70.603850        0.0344
BFGS:   29 16:53:22      -70.604021        0.0325
BFGS:   30 16:53:22      -70.604099        0.0292
BFGS:   31 16:53:22      -70.604241        0.0235
BFGS:   32 16:53:22      -70.604328        0.0212
BFGS:   33 16:53:22      -70.604394        0.0210
BFGS:   34 16:53:22      -70.604471        0.0213
BFGS:   35 16:53:22      -70.604620        0.0209
BFGS:   36 16:53:22      -70.604844        0.0179
BFGS:   37 16:53:22      -70.605055        0.0149
BFGS:   38 16:53:22      -70.605146        0.0176
BFGS:   39 16:53:22      -70.605175        0.0190
BFGS:   40 16:53:22      -70.605206        0.0197
BFGS:   41 16:53:22      -70.605279        0.0203
BFGS:   42 16:53:22      -70.605428        0.0199
BFGS:   43 16:53:22      -70.605660        0.0155
BFGS:   44 16:53:22      -70.605864        0.0072
BFGS:   45 16:53:22      -70.605940        0.0018
BFGS:   46 16:53:22      -70.605949        0.0003
BFGS:   47 16:53:22      -70.605949        0.0000
BFGS:   48 16:53:22      -70.605949        0.0000
BFGS:   49 16:53:22      -70.605949        0.0000
BFGS:   50 16:53:22      -70.605949        0.0000
BFGS:   51 16:53:22      -70.605949        0.0000
Minimization converged after 51 steps.
Maximum force component: 1.7648618632005615e-10 eV/Angstrom
Maximum stress component: 3.050487548180081e-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 =  [[2.50527108e-36 2.50000000e-01 1.16680212e-33]
 [1.66773306e-37 7.50000000e-01 3.26704594e-32]
 [2.33131337e-36 7.50000000e-01 5.00000000e-01]
 [9.40395481e-38 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 9.33441698e-33]
 [5.00000000e-01 2.50000000e-01 8.16761486e-33]
 [2.50000000e-01 1.00000000e+00 0.00000000e+00]
 [7.50000000e-01 1.00000000e+00 7.34691144e-38]
 [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([[5.522664555771436, 4.653746595560833e-54, -1.8023281086355162e-37], [7.687051779993274e-53, 9.565535605018987, -1.8016862246735684e-16], [-6.289443773555155e-37, -9.115624555450459e-17, 5.281937444063932]])
forces =  [[ 1.70180241e-32 -1.76486186e-10  3.32421488e-27]
 [ 1.41827756e-63  1.76486186e-10 -3.32414978e-27]
 [ 3.40360481e-32 -1.76486186e-10  3.32418742e-27]
 [ 1.41827756e-63  1.76486186e-10 -3.32414978e-27]
 [ 3.40360481e-32 -1.76486186e-10  3.32421488e-27]
 [ 1.41828241e-63  1.76486186e-10 -3.32419047e-27]
 [ 3.40360481e-32 -1.76486186e-10  3.32423116e-27]
 [-1.70180241e-32  1.76486186e-10 -3.32421488e-27]
 [-1.05512586e-10 -8.89115808e-65  3.44341571e-48]
 [ 1.05512586e-10  7.02242172e-50 -4.06905660e-33]
 [-1.05512586e-10  7.02242172e-50 -4.06905660e-33]
 [ 1.05512586e-10  1.05336326e-49 -6.10358489e-33]
 [-1.05512586e-10 -7.02242172e-50  4.06905660e-33]
 [ 1.05512586e-10  8.89115808e-65 -3.44341571e-48]
 [-1.05512586e-10 -1.05336326e-49  6.10358489e-33]
 [ 1.05512586e-10 -7.02242172e-50  4.06905660e-33]]
stress =  [ 8.59756546e-11  1.22969771e-10 -3.05048755e-10 -5.99609598e-26
  4.22550423e-34 -1.61119860e-50]
energy per atom =  -4.41287180172372
===============================================
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.