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:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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 15:41:28      -58.988064        0.5406
BFGS:    1 15:41:28      -58.999859        0.5038
BFGS:    2 15:41:28      -59.006430        0.4171
BFGS:    3 15:41:28      -59.012502        0.2886
BFGS:    4 15:41:28      -59.019619        0.1637
BFGS:    5 15:41:28      -59.021521        0.0556
BFGS:    6 15:41:28      -59.021691        0.0127
BFGS:    7 15:41:28      -59.021700        0.0113
BFGS:    8 15:41:28      -59.021706        0.0100
BFGS:    9 15:41:28      -59.021718        0.0052
BFGS:   10 15:41:28      -59.021722        0.0030
BFGS:   11 15:41:28      -59.021723        0.0006
BFGS:   12 15:41:28      -59.021723        0.0000
BFGS:   13 15:41:28      -59.021723        0.0000
BFGS:   14 15:41:29      -59.021723        0.0000
BFGS:   15 15:41:29      -59.021723        0.0000
Minimization converged after 15 steps.
Maximum force component: 8.846635368708889e-10 eV/Angstrom
Maximum stress component: 8.665761846214657e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.97989992e-35 9.37465905e-02]
 [7.61622645e-36 0.00000000e+00 5.93746591e-01]
 [5.83141745e-36 6.63902000e-37 9.06253409e-01]
 [0.00000000e+00 4.98323920e-36 4.06253409e-01]
 [3.33333333e-01 6.66666667e-01 6.56249095e-01]
 [6.66666667e-01 3.33333333e-01 1.56249095e-01]
 [6.66666667e-01 3.33333333e-01 3.43750905e-01]
 [3.33333333e-01 6.66666667e-01 8.43750905e-01]]
cellpar =  Cell([[2.515033221429327, -4.020786521751341e-19, -4.2069876171875765e-39], [-1.2575166107146636, 2.1780826611196096, -4.180134157622852e-39], [-7.441146169823684e-38, 4.6894691563118135e-36, 8.21424695840261]])
forces =  [[-4.13335705e-32  6.44326597e-31 -8.84663537e-10]
 [ 6.61337128e-31 -5.05155356e-46 -8.84663537e-10]
 [-2.48001423e-31 -1.43183688e-31  8.84663537e-10]
 [-1.34334104e-30 -5.36938831e-31  8.84663537e-10]
 [-1.62608997e-47 -7.15918442e-31  5.98639638e-10]
 [-7.02670698e-31  6.44326597e-31  5.98639638e-10]
 [-7.54337662e-31  7.33816403e-31 -5.98639638e-10]
 [ 8.26671410e-32  4.29551065e-31 -5.98639638e-10]]
stress =  [ 1.12874803e-11  1.12874803e-11 -8.66576185e-11 -2.29645052e-32
 -1.59102759e-33 -2.07221511e-27]
energy per atom =  -7.377715330239347
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0