element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:20:52      -59.663470        1.0033
BFGS:    1 18:20:52      -59.705241        0.9395
BFGS:    2 18:20:52      -59.828864        0.7060
BFGS:    3 18:20:53      -59.916145        0.4547
BFGS:    4 18:20:53      -59.964338        0.1846
BFGS:    5 18:20:53      -59.973294        0.0115
BFGS:    6 18:20:53      -59.973328        0.0003
BFGS:    7 18:20:53      -59.973328        0.0000
BFGS:    8 18:20:53      -59.973328        0.0000
Minimization converged after 8 steps.
Maximum force component: 6.942172733865414e-31 eV/Angstrom
Maximum stress component: 1.4293893336004273e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.022971169358875, -2.5405496285169393e-32, -1.140322276934847e-33], [1.3686506268235413e-33, 4.022971169358875, -1.1116753202640217e-17], [5.681539638201625e-35, -1.111675320264022e-17, 4.022971169358875]])
forces =  [[ 1.32231862e-31  1.32231862e-31  1.73554318e-31]
 [ 3.30579654e-31 -2.31405758e-31 -6.61159308e-32]
 [-6.94217273e-31 -1.32231862e-31 -9.91738962e-32]
 [-4.95869481e-32  3.65398833e-49 -1.32231862e-31]
 [ 4.95869481e-31  1.98347792e-31 -1.32231862e-31]
 [-6.61159308e-32 -3.30579654e-31  3.47108637e-31]
 [-2.64463723e-31 -1.32231862e-31  3.63637619e-31]
 [ 6.61159308e-32  3.96695585e-31  2.64463723e-31]]
stress =  [-1.42938933e-12 -1.42938933e-12 -1.42938933e-12  1.91293638e-29
  1.97619105e-62 -7.90489384e-62]
energy per atom =  -7.496665944068241
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0