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 15:22:18      -29.719914        1.2967
BFGS:    1 15:22:18      -29.763085        1.0231
BFGS:    2 15:22:18      -29.826177        0.2086
BFGS:    3 15:22:19      -29.828925        0.1094
BFGS:    4 15:22:19      -29.829111        0.1095
BFGS:    5 15:22:19      -29.831736        0.1114
BFGS:    6 15:22:19      -29.835580        0.2100
BFGS:    7 15:22:19      -29.839638        0.2748
BFGS:    8 15:22:19      -29.843953        0.3240
BFGS:    9 15:22:19      -29.848451        0.3653
BFGS:   10 15:22:19      -29.853073        0.4017
BFGS:   11 15:22:19      -29.857773        0.4344
BFGS:   12 15:22:19      -29.862508        0.4637
BFGS:   13 15:22:19      -29.867231        0.4896
BFGS:   14 15:22:19      -29.871886        0.5118
BFGS:   15 15:22:19      -29.876415        0.5297
BFGS:   16 15:22:19      -29.880757        0.5420
BFGS:   17 15:22:19      -29.884862        0.5468
BFGS:   18 15:22:19      -29.888721        0.5403
BFGS:   19 15:22:19      -29.892465        0.5148
BFGS:   20 15:22:19      -29.896582        0.4504
BFGS:   21 15:22:19      -29.902236        0.2877
BFGS:   22 15:22:19      -29.907074        0.0901
BFGS:   23 15:22:19      -29.908378        0.0099
BFGS:   24 15:22:19      -29.908435        0.0027
BFGS:   25 15:22:20      -29.908437        0.0001
BFGS:   26 15:22:20      -29.908437        0.0000
BFGS:   27 15:22:20      -29.908437        0.0000
BFGS:   28 15:22:20      -29.908437        0.0000
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