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:
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_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 16:40:26      -14.067307         0.053340
BFGS:    1 16:40:26      -14.067404         0.030973
BFGS:    2 16:40:26      -14.067453         0.000140
BFGS:    3 16:40:26      -14.067453         0.000000
BFGS:    4 16:40:26      -14.067453         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.088699908604114e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.86465368e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8662381475209457, -9.304459826879259e-33, -2.6573138222592316e-34], [-7.438640552908205e-33, 3.8662381475209457, 1.4665958072257285e-21], [-7.469421276983423e-33, 1.4665958072271764e-21, 3.8662381475209457]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.08869991e-13  3.08869991e-13  3.08869991e-13 -7.92498702e-29
 -2.06149965e-34  4.86462319e-50]
energy per atom =  -3.5168631986117282
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0