element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:41:54       14.767951       12.9953
BFGS:    1 16:41:54       12.916526       11.6948
BFGS:    2 16:41:54       11.258191       10.4207
BFGS:    3 16:41:54        9.789014        9.1727
BFGS:    4 16:41:54        8.505099        7.9505
BFGS:    5 16:41:54        7.402577        6.7541
BFGS:    6 16:41:54        6.477588        5.5834
BFGS:    7 16:41:54        5.726266        4.4385
BFGS:    8 16:41:54        5.144722        3.3197
BFGS:    9 16:41:54        4.729025        2.2273
BFGS:   10 16:41:54        4.475181        1.1618
BFGS:   11 16:41:54        4.379118        0.1237
BFGS:   12 16:41:54        4.377997        0.0019
BFGS:   13 16:41:54        4.377996        0.0000
BFGS:   14 16:41:55        4.377996        0.0000
Minimization converged after 14 steps.
Maximum force component: 1.6909559655896706e-19 eV/Angstrom
Maximum stress component: 1.0507430417029467e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[4.9908211099432105, 5.3878860696768315e-34, -8.528003816191005e-34], [-2.3727947256927443e-33, 4.9908211099432105, -3.548342972851342e-18], [4.1022078316953243e-35, -3.548342972851343e-18, 4.9908211099432105]])
forces =  [[ 2.25460795e-20  2.25460795e-20  2.25460795e-20]
 [-2.17162197e-53  4.50921591e-20 -3.38191193e-20]
 [-2.25460795e-20 -4.50921591e-20 -9.01843182e-20]
 [ 3.38191193e-20  1.12730398e-20  1.12730398e-20]
 [ 2.25460795e-20 -2.25460795e-20 -4.50921591e-20]
 [-1.12750745e-53  2.25460795e-20 -6.76382386e-20]
 [ 9.01843182e-20  6.76382386e-20 -2.25460795e-20]
 [-2.25460795e-20 -2.25460795e-20  1.60296715e-38]
 [ 2.25460795e-20 -2.25460795e-20 -2.25460795e-20]
 [ 1.12730398e-20  2.25460795e-20 -2.25460795e-20]
 [-2.25460795e-20  4.50921591e-20 -3.38191193e-20]
 [-5.55952830e-55  4.80890145e-38 -6.76382386e-20]
 [ 2.25460795e-20  2.25460795e-20 -1.60296715e-38]
 [ 3.94556392e-20  1.12730398e-20 -1.69095597e-19]
 [-9.58208381e-20  5.63651989e-20  4.50921591e-20]
 [-1.12730398e-20  2.25460795e-20  1.12730398e-20]]
stress =  [-1.05074304e-11 -1.05074304e-11 -1.05074304e-11 -2.87334534e-27
 -6.59804373e-34 -8.66980607e-50]
energy per atom =  0.2736247778754213
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0