element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
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:
['2.6513', '0.93471127']
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 =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:55:03       -4.240516         0.169531
BFGS:    1 16:55:03       -4.240850         0.075743
BFGS:    2 16:55:03       -4.240927         0.002902
BFGS:    3 16:55:03       -4.240928         0.001173
BFGS:    4 16:55:03       -4.240928         0.000184
BFGS:    5 16:55:03       -4.240928         0.000020
BFGS:    6 16:55:03       -4.240928         0.000000
BFGS:    7 16:55:03       -4.240928         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.160810224483228e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.648816851524746, -2.6912617688565475e-19, 7.089255806630615e-42], [-1.324408425762373, 2.293942683392745, -2.434444347868121e-36], [-1.892991659808088e-37, -1.094611422694234e-36, 2.4674424502648367]])
forces =  [[0. 0. 0.]]
stress =  [ 6.16081022e-10  6.16081022e-10 -1.47089996e-10  4.32896948e-46
  1.56623190e-46  1.34295526e-26]
energy per atom =  -4.240927560244181
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0