element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:57:46       15.844292         6.617542
BFGS:    1 14:57:46       16.408701        14.266588
BFGS:    2 14:57:46       15.681959         0.172927
BFGS:    3 14:57:46       15.681851         0.003329
BFGS:    4 14:57:46       15.681851         0.000002
BFGS:    5 14:57:46       15.681851         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.35288147840809e-22 eV/Angstrom
Maximum stress component: 2.2483021666802894e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[4.818298255842182, 2.558987291742652e-33, 2.885328853492284e-37], [-8.527181813814611e-34, 4.818298255842182, 8.329342816122566e-25], [-7.169678339881861e-35, 8.329342816130894e-25, 4.818298255842182]])
forces =  [[ 5.06079481e-57 -5.87935650e-47 -3.40104781e-22]
 [ 7.65235757e-22  2.55078586e-22  4.25130976e-22]
 [ 5.52670269e-22  6.37696464e-23  3.40104781e-22]
 [ 5.95183367e-22  8.50261953e-22  2.97591683e-22]
 [-5.10157172e-22 -4.25130976e-22  8.50261953e-23]
 [-1.70052391e-22  1.27539293e-22  1.70052391e-22]
 [-5.10157172e-22 -5.95183367e-22 -4.25130976e-22]
 [-8.50261953e-23  8.50261953e-23  1.70052391e-22]
 [ 1.00541515e-56 -4.25130976e-23 -1.70052391e-22]
 [ 5.95183367e-22 -4.25130976e-22 -5.10157172e-22]
 [ 4.25130976e-22  4.25130976e-22  1.70052391e-22]
 [-5.95183367e-22 -8.50261953e-23 -5.10157172e-22]
 [ 1.70052391e-22 -3.67459780e-47 -2.12565488e-22]
 [-4.25130976e-22  6.16439916e-22 -4.25130976e-23]
 [ 9.35288148e-22  6.80209562e-22  1.17587130e-46]
 [ 2.55078586e-22  1.27539293e-22 -1.70052391e-22]]
stress =  [2.24830217e-12 2.24830217e-12 2.24830217e-12 2.25406837e-29
 2.83159951e-33 4.62493866e-50]
energy per atom =  0.980115683101958
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0