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 14:49:07      -58.988064         0.540571
BFGS:    1 14:49:07      -58.999859         0.503837
BFGS:    2 14:49:07      -59.006430         0.417127
BFGS:    3 14:49:07      -59.012502         0.288647
BFGS:    4 14:49:07      -59.019619         0.163741
BFGS:    5 14:49:07      -59.021521         0.055553
BFGS:    6 14:49:07      -59.021691         0.012667
BFGS:    7 14:49:08      -59.021700         0.011311
BFGS:    8 14:49:08      -59.021706         0.010042
BFGS:    9 14:49:08      -59.021718         0.005195
BFGS:   10 14:49:08      -59.021722         0.002976
BFGS:   11 14:49:08      -59.021723         0.000566
BFGS:   12 14:49:08      -59.021723         0.000031
BFGS:   13 14:49:08      -59.021723         0.000002
BFGS:   14 14:49:08      -59.021723         0.000000
BFGS:   15 14:49:08      -59.021723         0.000000
Minimization converged after 15 steps.
Maximum force component: 8.847619858975974e-10 eV/Angstrom
Maximum stress component: 8.66542415049199e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 3.60515546e-36 9.37465905e-02]
 [1.57521753e-35 0.00000000e+00 5.93746591e-01]
 [1.37564416e-35 4.53263081e-35 9.06253409e-01]
 [0.00000000e+00 5.59097478e-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([[2.5150332214293267, 4.1186180570455033e-19, -3.753289678160868e-38], [-1.2575166107146634, 2.17808266111961, -7.508154674291469e-38], [1.462641797372673e-38, -5.6254695857838236e-37, 8.214246958402612]])
forces =  [[-8.26671410e-32 -1.43183688e-31 -8.84761986e-10]
 [-1.57542118e-48  6.05923059e-47 -8.84761986e-10]
 [ 1.65334282e-31 -6.05652307e-47  8.84761986e-10]
 [-5.78669987e-31  1.43183688e-31  8.84761986e-10]
 [-1.65334282e-31 -2.86367377e-31  5.98744138e-10]
 [-1.65334282e-31  1.43183688e-31  5.98744138e-10]
 [-2.48001423e-31  1.43183688e-31 -5.98744138e-10]
 [ 8.13333553e-49  2.86367377e-31 -5.98744138e-10]]
stress =  [ 1.12872510e-11  1.12872510e-11 -8.66542415e-11 -1.10229625e-32
 -6.36411035e-33 -6.47062950e-30]
energy per atom =  -7.377715330239349
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0