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_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_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      -29.719914         1.296650
BFGS:    1 14:27:31      -29.763085         1.023074
BFGS:    2 14:27:31      -29.826177         0.208600
BFGS:    3 14:27:31      -29.828925         0.109388
BFGS:    4 14:27:31      -29.829111         0.109464
BFGS:    5 14:27:31      -29.831736         0.111414
BFGS:    6 14:27:31      -29.835580         0.209993
BFGS:    7 14:27:31      -29.839638         0.274758
BFGS:    8 14:27:31      -29.843953         0.324018
BFGS:    9 14:27:32      -29.848451         0.365326
BFGS:   10 14:27:32      -29.853073         0.401720
BFGS:   11 14:27:32      -29.857773         0.434366
BFGS:   12 14:27:32      -29.862508         0.463658
BFGS:   13 14:27:32      -29.867231         0.489584
BFGS:   14 14:27:32      -29.871886         0.511817
BFGS:   15 14:27:32      -29.876415         0.529674
BFGS:   16 14:27:32      -29.880757         0.541969
BFGS:   17 14:27:32      -29.884862         0.546750
BFGS:   18 14:27:32      -29.888721         0.540268
BFGS:   19 14:27:32      -29.892465         0.514768
BFGS:   20 14:27:32      -29.896582         0.450417
BFGS:   21 14:27:32      -29.902236         0.287733
BFGS:   22 14:27:32      -29.907074         0.090096
BFGS:   23 14:27:32      -29.908378         0.009875
BFGS:   24 14:27:32      -29.908435         0.002708
BFGS:   25 14:27:32      -29.908437         0.000114
BFGS:   26 14:27:32      -29.908437         0.000002
BFGS:   27 14:27:32      -29.908437         0.000000
BFGS:   28 14:27:32      -29.908437         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.767699904763296e-30 eV/Angstrom
Maximum stress component: 3.82688545223594e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.         0.         0.25      ]
 [0.         0.         0.75      ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.4175110583925057, -1.2640723246549938e-17, -4.654412782186224e-31], [-1.2087555291962528, 2.093625990497716, -9.308820556924734e-31], [-1.367191458231852e-30, -3.9467250341181336e-30, 6.715994522631476]])
forces =  [[ 4.76769990e-30 -1.65157969e-30 -3.95017974e-67]
 [-4.76769990e-30  3.85368595e-30 -1.22389384e-60]
 [-1.40432798e-63 -4.05392849e-63  6.89841864e-33]
 [-1.43030997e-30  1.92684298e-30 -6.89841864e-33]]
stress =  [-3.82688545e-10 -3.82688545e-10  6.28066155e-11  1.94667196e-39
 -1.58154627e-35 -5.70931886e-26]
energy per atom =  -7.477109219613226
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0