element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:32:01      -87.430021        1.8152
BFGS:    1 14:32:01      -87.553512        1.7235
BFGS:    2 14:32:01      -87.759814        1.5417
BFGS:    3 14:32:01      -87.937729        1.3555
BFGS:    4 14:32:01      -88.091804        1.1654
BFGS:    5 14:32:01      -88.222923        0.9718
BFGS:    6 14:32:01      -88.330620        0.7745
BFGS:    7 14:32:01      -88.413989        0.5735
BFGS:    8 14:32:01      -88.472048        0.3687
BFGS:    9 14:32:01      -88.503864        0.1601
BFGS:   10 14:32:01      -88.510091        0.0213
BFGS:   11 14:32:01      -88.510137        0.0190
BFGS:   12 14:32:01      -88.510181        0.0189
BFGS:   13 14:32:02      -88.510193        0.0175
BFGS:   14 14:32:02      -88.510243        0.0103
BFGS:   15 14:32:02      -88.510259        0.0062
BFGS:   16 14:32:02      -88.510262        0.0011
BFGS:   17 14:32:02      -88.510262        0.0002
BFGS:   18 14:32:02      -88.510262        0.0001
BFGS:   19 14:32:02      -88.510262        0.0000
BFGS:   20 14:32:02      -88.510262        0.0000
BFGS:   21 14:32:02      -88.510262        0.0000
Minimization converged after 21 steps.
Maximum force component: 6.639583813305983e-10 eV/Angstrom
Maximum stress component: 3.038683618938365e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.96189747e-34 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 1.14461685e-34 6.87500000e-01]
 [0.00000000e+00 1.54579130e-34 8.12500000e-01]
 [1.79814644e-34 0.00000000e+00 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.4393547108954907, 3.359756487298357e-18, 1.7466316530541428e-32], [-1.2196773554477454, 2.1125431484767407, 3.49326624659558e-32], [8.57562027246455e-32, 2.4755617511398717e-31, 11.950348686653488]])
forces =  [[ 2.90651226e-31 -2.25672241e-31 -2.10791107e-10]
 [-8.81976134e-31  4.16625675e-31 -2.10791107e-10]
 [-2.80628770e-31  2.08312838e-31  2.10791107e-10]
 [ 1.00224561e-31 -1.73594031e-31  2.10791107e-10]
 [-1.60359297e-31 -1.37541593e-41 -6.63958381e-10]
 [ 9.02021046e-32 -1.73594031e-32 -6.63958381e-10]
 [ 2.40538946e-31 -1.38875225e-31  6.63958381e-10]
 [ 2.40538946e-31  1.37541594e-41  6.63958381e-10]
 [-4.81077891e-31 -5.97934899e-42 -2.88642759e-10]
 [ 2.80628770e-31 -2.08312838e-31 -2.88642759e-10]
 [ 7.21616837e-31 -1.38875225e-31  2.88642759e-10]
 [-4.00898243e-32 -2.08312838e-31  2.88642759e-10]]
stress =  [ 3.89024723e-12  3.89024723e-12 -3.03868362e-11 -2.60395184e-33
 -4.51017751e-33  1.38974554e-27]
energy per atom =  -7.375855183759992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0