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 17:17:05      -14.067307        0.0533
BFGS:    1 17:17:05      -14.067404        0.0310
BFGS:    2 17:17:05      -14.067453        0.0001
BFGS:    3 17:17:05      -14.067453        0.0000
BFGS:    4 17:17:05      -14.067453        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.0886999086041156e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.21218837e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.43232684e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8662381475209457, 2.6575263760717387e-33, 8.351786406149147e-33], [-1.0624391484284133e-33, 3.8662381475209457, 1.4748175414744986e-21], [2.5111609581131663e-33, 1.474817541480347e-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 -2.47722171e-29
 -2.06149965e-34  9.14773007e-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