element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:26:19      -59.633123        0.2108
BFGS:    1 17:26:19      -59.634948        0.1934
BFGS:    2 17:26:19      -59.644526        0.0051
BFGS:    3 17:26:19      -59.644532        0.0001
BFGS:    4 17:26:19      -59.644532        0.0000
BFGS:    5 17:26:19      -59.644532        0.0000
Minimization converged after 5 steps.
Maximum force component: 9.352517549307726e-31 eV/Angstrom
Maximum stress component: 1.7181165814465313e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.02716264e-33 4.36544120e-33 1.40115168e-33]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.5567173455074967, -1.082985359333696e-34, 7.30498715147992e-36], [-1.0829817243259041e-34, 3.5567173455074967, 7.494349039059422e-22], [-1.4048873675665754e-35, 7.494349039059964e-22, 3.5567173455074967]])
forces =  [[-1.16906469e-31  7.30665434e-31 -3.50719408e-31]
 [-2.63039556e-31  9.35251755e-31  1.97066632e-52]
 [-1.16906469e-31 -2.46333290e-53 -1.16906469e-31]
 [-1.16906469e-31 -5.26079112e-31 -1.10849981e-52]
 [ 1.16906469e-31 -3.50719408e-31  2.92266173e-32]
 [ 1.75359704e-31  7.01438816e-31  3.50719408e-31]
 [ 8.76798520e-32  2.24222955e-31  2.41119593e-31]
 [ 4.09172643e-31 -2.33812939e-31  1.16906469e-31]]
stress =  [-1.71811658e-13 -1.71811658e-13 -1.71811658e-13  9.31685436e-31
 -2.59830714e-33  2.74207576e-50]
energy per atom =  -7.455566513272916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0