element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:27:31      -29.623732         1.269164
BFGS:    1 14:27:31      -29.665028         1.001354
BFGS:    2 14:27:31      -29.725732         0.187235
BFGS:    3 14:27:31      -29.727870         0.082203
BFGS:    4 14:27:31      -29.727978         0.082273
BFGS:    5 14:27:31      -29.728863         0.083349
BFGS:    6 14:27:31      -29.730730         0.148826
BFGS:    7 14:27:32      -29.733548         0.225067
BFGS:    8 14:27:32      -29.736598         0.280730
BFGS:    9 14:27:32      -29.739835         0.327536
BFGS:   10 14:27:32      -29.743182         0.370242
BFGS:   11 14:27:32      -29.746592         0.410608
BFGS:   12 14:27:32      -29.750035         0.449133
BFGS:   13 14:27:32      -29.753482         0.485935
BFGS:   14 14:27:32      -29.756895         0.520953
BFGS:   15 14:27:32      -29.760231         0.553983
BFGS:   16 14:27:32      -29.763436         0.584639
BFGS:   17 14:27:32      -29.766457         0.612273
BFGS:   18 14:27:32      -29.769249         0.635782
BFGS:   19 14:27:32      -29.771809         0.653176
BFGS:   20 14:27:32      -29.774253         0.660501
BFGS:   21 14:27:32      -29.777021         0.648887
BFGS:   22 14:27:32      -29.781298         0.596176
BFGS:   23 14:27:32      -29.790022         0.425535
BFGS:   24 14:27:32      -29.800090         0.119378
BFGS:   25 14:27:32      -29.802324         0.014619
BFGS:   26 14:27:32      -29.802454         0.003766
BFGS:   27 14:27:32      -29.802461         0.000168
BFGS:   28 14:27:33      -29.802461         0.000001
BFGS:   29 14:27:33      -29.802461         0.000000
BFGS:   30 14:27:33      -29.802461         0.000000
Minimization converged after 30 steps.
Maximum force component: 2.225863955885775e-30 eV/Angstrom
Maximum stress component: 4.3632287949669395e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [2.86965765e-36 1.84700841e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4185295254614148, -9.140178529503157e-18, 1.0108678433786002e-30], [-1.2092647627307074, 2.094508008852308, 2.0217377931989003e-30], [2.9363852608517533e-30, 8.476562919834546e-30, 6.587866447734668]])
forces =  [[-7.94951413e-32  1.37689624e-31  1.69170257e-33]
 [-7.54036307e-64 -2.17670218e-63 -1.69170257e-33]
 [ 1.11293198e-30  8.26137742e-31  1.69170257e-33]
 [ 2.22586396e-30 -1.10151699e-30 -1.69170257e-33]]
stress =  [ 4.36322879e-10  4.36322879e-10 -3.40286486e-12  4.65223802e-36
  8.05836525e-36 -1.41898378e-25]
energy per atom =  -7.450615215743328
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0