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 16:15:21      -29.719914         1.296650
BFGS:    1 16:15:21      -29.763085         1.023074
BFGS:    2 16:15:22      -29.826177         0.208600
BFGS:    3 16:15:22      -29.828925         0.109388
BFGS:    4 16:15:22      -29.829111         0.109464
BFGS:    5 16:15:22      -29.831736         0.111414
BFGS:    6 16:15:22      -29.835580         0.209993
BFGS:    7 16:15:22      -29.839638         0.274758
BFGS:    8 16:15:22      -29.843953         0.324018
BFGS:    9 16:15:22      -29.848451         0.365326
BFGS:   10 16:15:22      -29.853073         0.401720
BFGS:   11 16:15:22      -29.857773         0.434366
BFGS:   12 16:15:22      -29.862508         0.463658
BFGS:   13 16:15:22      -29.867231         0.489584
BFGS:   14 16:15:22      -29.871886         0.511817
BFGS:   15 16:15:22      -29.876415         0.529674
BFGS:   16 16:15:22      -29.880757         0.541969
BFGS:   17 16:15:22      -29.884862         0.546750
BFGS:   18 16:15:22      -29.888721         0.540268
BFGS:   19 16:15:22      -29.892465         0.514768
BFGS:   20 16:15:22      -29.896582         0.450417
BFGS:   21 16:15:22      -29.902236         0.287733
BFGS:   22 16:15:22      -29.907074         0.090096
BFGS:   23 16:15:22      -29.908378         0.009875
BFGS:   24 16:15:23      -29.908435         0.002708
BFGS:   25 16:15:23      -29.908437         0.000114
BFGS:   26 16:15:23      -29.908437         0.000002
BFGS:   27 16:15:23      -29.908437         0.000000
BFGS:   28 16:15:23      -29.908437         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.767699904763294e-30 eV/Angstrom
Maximum stress component: 3.8269338301096034e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[1.62297213e-35 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 3.51966240e-35 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.417511058392505, -1.4669143381668764e-17, 9.072777716023178e-32], [-1.2087555291962524, 2.093625990497714, 1.814544528684272e-31], [2.665125252429504e-31, 7.693390921777345e-31, 6.715994522631476]])
forces =  [[ 3.81415992e-30 -1.10105313e-30  2.38577781e-62]
 [-3.49631326e-30  1.65157969e-30  4.77135287e-62]
 [ 2.22492662e-30 -3.85368595e-30 -3.44920932e-33]
 [-4.76769990e-30  3.85368595e-30 -6.89841864e-33]]
stress =  [-3.82693383e-10 -3.82693383e-10  6.28065957e-11  9.13107151e-36
 -1.31453733e-40  5.71668855e-27]
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