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_PPM_PurjaPunMishin_2017_Si__MO_566683736730_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 14:12:04       -6.353776         1.557000
BFGS:    1 14:12:04       -6.424862         1.382978
BFGS:    2 14:12:04       -6.540184         0.886230
BFGS:    3 14:12:04       -6.585614         0.221151
BFGS:    4 14:12:04       -6.586578         0.121492
BFGS:    5 14:12:04       -6.587444         0.101499
BFGS:    6 14:12:04       -6.588352         0.041448
BFGS:    7 14:12:04       -6.588461         0.010078
BFGS:    8 14:12:04       -6.588467         0.000975
BFGS:    9 14:12:04       -6.588467         0.000047
BFGS:   10 14:12:04       -6.588467         0.000001
BFGS:   11 14:12:04       -6.588467         0.000000
BFGS:   12 14:12:04       -6.588467         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.7498385655383072e-32 eV/Angstrom
Maximum stress component: 4.233021234560993e-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([[2.578470509056474, -1.1183713698450754e-17, 2.176322782446831e-36], [-1.289235254528237, 2.233020963751901, 3.372593255148255e-36], [8.118637434700126e-36, 2.3278859665769408e-36, 4.258913103181707]])
forces =  [[-1.32425428e-32  4.58735140e-33  1.74983857e-32]
 [ 1.32425428e-32 -4.58735140e-33 -1.74983857e-32]]
stress =  [4.17207385e-11 4.17207385e-11 4.23302123e-11 2.16011877e-34
 3.74143545e-34 5.14914035e-27]
energy per atom =  -3.294233614471885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0