element(s):
['Si']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8146', '0.54949529']
model name:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:27:13      -15.798941         3.799382
BFGS:    1 17:27:13      -16.239496         3.476572
BFGS:    2 17:27:13      -16.646307         3.143482
BFGS:    3 17:27:13      -16.997392         2.624973
BFGS:    4 17:27:13      -17.266212         1.945208
BFGS:    5 17:27:13      -17.438175         1.169592
BFGS:    6 17:27:13      -17.513796         0.437913
BFGS:    7 17:27:13      -17.524494         0.585790
BFGS:    8 17:27:13      -17.532516         0.542305
BFGS:    9 17:27:13      -17.541957         0.235506
BFGS:   10 17:27:13      -17.544147         0.074214
BFGS:   11 17:27:13      -17.544546         0.000948
BFGS:   12 17:27:13      -17.544546         0.000002
BFGS:   13 17:27:13      -17.544546         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.385135414055876e-33 eV/Angstrom
Maximum stress component: 5.875486097740393e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 9.47768176e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.27261617e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.48612875e-36 7.50000000e-01]]
cellpar =  Cell([[5.225725245112175, -1.4307839079211897e-35, -5.17264396093403e-39], [-6.0138023391840475e-36, 5.225725245112175, -4.0165675574835695e-20], [1.4745150950193679e-37, -2.3142118201342872e-20, 2.721132016799466]])
forces =  [[-4.54370044e-70  7.13121575e-53 -8.38513541e-33]
 [-4.54370044e-70  7.13121575e-53 -8.38513541e-33]
 [ 4.54370044e-70 -7.13121575e-53  8.38513541e-33]
 [ 4.54370044e-70 -7.13121575e-53  8.38513541e-33]]
stress =  [-1.86109437e-11 -1.86109437e-11 -5.87548610e-11  1.46294819e-28
  1.60365883e-49  7.21553727e-63]
energy per atom =  -4.386136575550348
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0