element(s):
['Si']
AFLOW prototype label:
A_hP2_194_c
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:
['2.6864', '1.708383']
model name:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.6864, 0, 0], [-1.3432, 2.3264906447265, 0], [0, 0, 4.5894]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:00:22       -7.624100         2.925546
BFGS:    1 16:00:22       -7.840128         1.705962
BFGS:    2 16:00:22       -7.961889         0.563367
BFGS:    3 16:00:22       -7.976719         0.201418
BFGS:    4 16:00:22       -7.977772         0.203135
BFGS:    5 16:00:22       -7.979207         0.134591
BFGS:    6 16:00:22       -7.979748         0.047811
BFGS:    7 16:00:22       -7.979851         0.010151
BFGS:    8 16:00:22       -7.979857         0.001022
BFGS:    9 16:00:22       -7.979858         0.000088
BFGS:   10 16:00:22       -7.979858         0.000003
BFGS:   11 16:00:22       -7.979858         0.000000
BFGS:   12 16:00:22       -7.979858         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.5324764664854882e-31 eV/Angstrom
Maximum stress component: 1.0390807883770985e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.8550951506780713, -2.840309178680889e-17, 1.212017245784028e-37], [-1.4275475753390356, 2.472584930708969, 2.614947038725446e-37], [1.9750825488077006e-36, -1.912843446571327e-36, 4.662347310182317]])
forces =  [[ 1.29036471e-31 -6.09539246e-32 -1.53247647e-31]
 [-1.29036471e-31  6.09539246e-32  1.53247647e-31]]
stress =  [-1.03908079e-11 -1.03908079e-11  5.41811439e-12  1.42561861e-32
  2.46924386e-33  1.86507398e-27]
energy per atom =  -3.989928781992336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0