element(s):
['Si']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.868']
model name:
ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.868, 0, 0], [0, 3.868, 0], [0, 0, 3.868]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:33      -12.641747         1.383172
BFGS:    1 16:40:33      -12.721124         1.293828
BFGS:    2 16:40:33      -12.896491         1.036683
BFGS:    3 16:40:33      -13.029664         0.730207
BFGS:    4 16:40:33      -13.112756         0.367767
BFGS:    5 16:40:33      -13.136825         0.058077
BFGS:    6 16:40:33      -13.137376         0.004029
BFGS:    7 16:40:33      -13.137379         0.000040
BFGS:    8 16:40:33      -13.137379         0.000000
BFGS:    9 16:40:33      -13.137379         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4884098365991953e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.661654425243628, -7.956883456954516e-33, -6.904479540167854e-33], [-9.434616771251764e-33, 3.661654425243628, 5.622161336896038e-18], [-6.776917435546146e-33, 5.6221613368960355e-18, 3.6616544252436283]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.48840984e-14  1.48840984e-14  1.48840984e-14  6.36444845e-31
 -7.27793395e-34 -6.93570009e-50]
energy per atom =  -3.2843446450545004
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0