element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
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 =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:56      -37.022912         0.228190
BFGS:    1 15:27:56      -37.025072         0.213593
BFGS:    2 15:27:56      -37.039982         0.007603
BFGS:    3 15:27:56      -37.040000         0.000240
BFGS:    4 15:27:56      -37.040000         0.000000
BFGS:    5 15:27:57      -37.040000         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.237066976117172e-31 eV/Angstrom
Maximum stress component: 4.35732187814751e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 7.89631466e-33 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 9.82714949e-33 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.433560137163802, -5.672677166116278e-34, -2.4099109858396747e-34], [1.8908275933939338e-34, 5.433560137163802, -1.4075143621128848e-19], [2.683654533417103e-33, -1.4075143621128863e-19, 5.433560137163802]])
forces =  [[ 1.00460699e-31 -2.75918101e-31 -1.11622999e-31]
 [ 5.58114996e-33  3.23706698e-31 -1.17204149e-31]
 [-8.92983993e-32 -1.95340249e-31  1.39528749e-32]
 [ 1.95340249e-32 -3.34868998e-32  1.31157024e-31]
 [ 4.46491997e-32 -6.13926495e-32 -1.19994724e-31]
 [-1.17204149e-31 -6.69737995e-32  4.46491997e-32]
 [-1.11622999e-32  2.34408298e-31 -2.51151748e-32]
 [-2.79057498e-32 -2.09293123e-31 -4.46491997e-32]]
stress =  [-4.35732188e-13 -4.35732188e-13 -4.35732188e-13  1.90251616e-28
  0.00000000e+00 -8.26589172e-63]
energy per atom =  -4.629999979504946
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0