element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:47:14      -58.756397         0.437729
BFGS:    1 14:47:14      -58.764801         0.212264
BFGS:    2 14:47:15      -58.766402         0.208156
BFGS:    3 14:47:15      -58.767636         0.185151
BFGS:    4 14:47:15      -58.770168         0.117686
BFGS:    5 14:47:15      -58.772263         0.151417
BFGS:    6 14:47:15      -58.773140         0.071456
BFGS:    7 14:47:15      -58.773246         0.011251
BFGS:    8 14:47:15      -58.773249         0.002011
BFGS:    9 14:47:15      -58.773249         0.001747
BFGS:   10 14:47:15      -58.773250         0.001421
BFGS:   11 14:47:15      -58.773250         0.000944
BFGS:   12 14:47:15      -58.773250         0.000382
BFGS:   13 14:47:15      -58.773250         0.000074
BFGS:   14 14:47:15      -58.773250         0.000005
BFGS:   15 14:47:15      -58.773250         0.000000
BFGS:   16 14:47:15      -58.773250         0.000000
BFGS:   17 14:47:15      -58.773250         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.844513321325977e-10 eV/Angstrom
Maximum stress component: 4.370912030013509e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.85257343e-35 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 3.24286405e-35 5.93750000e-01]
 [0.00000000e+00 1.56908087e-35 9.06250000e-01]
 [3.92260799e-36 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.5261863040747907, -1.1103743339373246e-18, 5.478039549501336e-37], [-1.2630931520373954, 2.1877415140210905, 1.118055377684244e-36], [3.834006397292048e-36, 1.3327903002507858e-35, 8.250489920131008]])
forces =  [[ 1.03792167e-31 -8.98866537e-32  3.84451332e-10]
 [-8.30337339e-32 -1.43818646e-31  3.84451332e-10]
 [ 1.66067468e-31 -6.21118546e-46 -3.84451332e-10]
 [ 5.39719271e-31 -6.21282783e-46 -3.84451332e-10]
 [ 3.32134936e-31 -1.43818646e-31 -1.41611136e-10]
 [-1.03792167e-31  1.79773307e-31 -1.41611136e-10]
 [-1.24550601e-31  2.28814432e-46  1.41611136e-10]
 [ 4.98202404e-31 -5.75274584e-31  1.41611136e-10]]
stress =  [ 3.14638655e-11  3.14638655e-11 -4.37091203e-11  5.00779036e-33
 -7.88522485e-34 -4.19178423e-27]
energy per atom =  -7.346656256064977
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0