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_KumagaiIzumiHara_2007_Si__SM_773333226968_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 16:40:28      -16.724216         0.227968
BFGS:    1 16:40:28      -16.726250         0.188575
BFGS:    2 16:40:28      -16.730704         0.002333
BFGS:    3 16:40:28      -16.730705         0.000011
BFGS:    4 16:40:28      -16.730705         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.141590950683679e-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 6.78026618e-55 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.849586015488081, 3.4724838327595e-41, 4.9699865210606216e-42], [3.5783902951636475e-41, 3.849586015488081, -4.069454159914324e-38], [-4.9699865210606216e-42, -4.0652315230846094e-38, 3.849586015488081]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.14159095e-13 -4.14159095e-13 -4.14159095e-13 -1.17226044e-46
  5.71827591e-34  1.61762030e-67]
energy per atom =  -4.182676230369094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0