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 17:30:06      -37.022912        0.2282
BFGS:    1 17:30:06      -37.025072        0.2136
BFGS:    2 17:30:06      -37.039982        0.0076
BFGS:    3 17:30:06      -37.040000        0.0002
BFGS:    4 17:30:06      -37.040000        0.0000
BFGS:    5 17:30:06      -37.040000        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.3569170837387716e-31 eV/Angstrom
Maximum stress component: 4.3560392218442964e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 3.72346872e-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 6.28707174e-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([[5.433560137163803, 1.5155218430800002e-37, -7.565277438681545e-35], [-5.6730238552616405e-34, 5.433560137163803, -1.3698121267714286e-19], [-8.253709471831564e-35, -1.3698121267714265e-19, 5.433560137163803]])
forces =  [[ 7.46478807e-32 -2.54639967e-32 -5.58114996e-33]
 [-3.27892560e-32 -2.23245998e-32 -8.61590025e-32]
 [-4.46491997e-32 -1.18599437e-32 -3.34868998e-32]
 [ 1.11622999e-32 -3.55798310e-32  1.35691708e-31]
 [-2.23245998e-32 -3.34868998e-32  7.67408119e-33]
 [ 8.37172494e-33 -4.46491997e-32  5.58114996e-33]
 [-2.49407639e-32  1.67434499e-32 -2.79057498e-33]
 [ 3.34868998e-32 -3.90680497e-32  4.46491997e-32]]
stress =  [-4.35603922e-13 -4.35603922e-13 -4.35603922e-13 -1.22749210e-29
 -3.47912680e-35 -1.17830530e-51]
energy per atom =  -4.629999979504947
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0