element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_ModifiedTersoff_KumagaiIzumiHara_2007_Si__SM_773333226968_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:46:51      -51.501197         0.078497
BFGS:    1 15:46:51      -51.501455         0.075284
BFGS:    2 15:46:52      -51.504397         0.000947
BFGS:    3 15:46:52      -51.504398         0.000011
BFGS:    4 15:46:52      -51.504398         0.000000
Minimization converged after 4 steps.
Maximum force component: 2.6557005241517296e-31 eV/Angstrom
Maximum stress component: 6.483949284776155e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.33340808e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 8.18735422e-36]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [8.17556321e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [3.99668079e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 4.01217334e-36]
 [5.00000000e-01 3.66661860e-33 7.50000000e-01]
 [5.00000000e-01 3.65956562e-33 2.50000000e-01]]
cellpar =  Cell([[6.715512413358272, 2.845804579039491e-39, 1.8676844662560289e-34], [2.2943490503339923e-34, 6.715512413358272, 1.559088759961952e-23], [1.0543318514587976e-34, 1.5590887501310903e-23, 6.715512413358272]])
forces =  [[ 2.20733550e-31 -3.00269571e-57 -1.29336064e-33]
 [ 2.48325244e-31  1.37958469e-32  1.12091256e-32]
 [-1.72448086e-33  1.10366775e-31 -1.72448086e-33]
 [ 1.55203277e-32  4.80431314e-56  2.06937703e-32]
 [ 1.94934651e-66  2.88258788e-55  1.24162622e-31]
 [ 1.72448086e-32  1.37958469e-32 -1.37958469e-32]
 [ 3.88008193e-32  1.65550163e-31  1.20713660e-32]
 [-7.62256556e-66 -2.20733550e-31 -5.17344258e-33]
 [-2.65570052e-31  6.89792344e-33  3.44896172e-32]
 [ 1.65550163e-31 -6.89792344e-33 -3.44896172e-33]
 [-4.31120215e-33 -5.12460068e-55 -2.20733550e-31]
 [ 1.20713660e-32  2.75916938e-32  1.65550163e-31]]
stress =  [6.48394928e-11 6.48394928e-11 6.48394928e-11 6.28577600e-28
 3.64418892e-34 7.62631462e-51]
energy per atom =  -4.292033157971092
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0