element(s):
['Si']
AFLOW prototype label:
A_tI4_141_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:
['4.8146', '0.54949529']
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 =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:14:08      -17.173267        0.2938
BFGS:    1 17:14:08      -17.176195        0.2456
BFGS:    2 17:14:08      -17.182366        0.0464
BFGS:    3 17:14:08      -17.182400        0.0364
BFGS:    4 17:14:08      -17.182469        0.0221
BFGS:    5 17:14:08      -17.182574        0.0247
BFGS:    6 17:14:08      -17.182651        0.0152
BFGS:    7 17:14:08      -17.182673        0.0047
BFGS:    8 17:14:08      -17.182675        0.0009
BFGS:    9 17:14:08      -17.182675        0.0000
BFGS:   10 17:14:08      -17.182675        0.0000
BFGS:   11 17:14:08      -17.182675        0.0000
BFGS:   12 17:14:08      -17.182675        0.0000
Minimization converged after 12 steps.
Maximum force component: 4.123670177755812e-31 eV/Angstrom
Maximum stress component: 6.80042005010436e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 6.71429673e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [3.31678358e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.779312435177512, -6.92117380225761e-37, 7.923563465649701e-53], [2.8767838549868275e-37, 4.779312435177512, 1.629115960018759e-18], [-3.292509889920004e-70, 8.962302633811979e-19, 2.6416876309344586]])
forces =  [[-1.17819148e-31  4.12367018e-31  1.62806570e-32]
 [-1.06377296e-68 -1.76728722e-31  2.34034444e-32]
 [ 5.89095740e-32  2.65093083e-31 -1.62806570e-32]
 [ 2.12754592e-68  3.53457444e-31 -1.62806570e-32]]
stress =  [-2.61579352e-11 -2.61579352e-11 -6.80042005e-11 -9.26227924e-27
  2.44069540e-34  3.32745066e-50]
energy per atom =  -4.295668833466143
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0