element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
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 =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:47        8.459289       132.735028
BFGS:    1 17:28:47       -2.924022         7.049216
BFGS:    2 17:28:47       -2.976294         6.772515
BFGS:    3 17:28:48        9.461082       132.028363
BFGS:    4 17:28:48       -3.024903         6.511526
BFGS:    5 17:28:48       -3.067785         6.278072
BFGS:    6 17:28:48       11.294739       129.129949
BFGS:    7 17:28:48       -3.092458         3.738355
BFGS:    8 17:28:48       -3.084548         6.185930
BFGS:    9 17:28:48       -3.095053         0.522197
BFGS:   10 17:28:48       -3.095101         0.133504
BFGS:   11 17:28:48       -3.095104         0.000167
BFGS:   12 17:28:48       -3.095104         0.000000
BFGS:   13 17:28:48       -3.095104         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.2089348862353004e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.7013445285262094, -1.919339409328849e-32, 1.1523218861087888e-32], [-2.0909869083060037e-33, 1.7013445285262094, -7.373968294474566e-17], [-1.642096397266156e-32, -7.373968294474566e-17, 1.7013445285262094]])
forces =  [[0. 0. 0.]]
stress =  [ 3.20893489e-12  3.20893489e-12  3.20893489e-12 -5.02837450e-29
  2.66143546e-34 -2.58102368e-50]
energy per atom =  -3.09510422209898
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0