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 10:41:46        8.459289       132.735028
BFGS:    1 10:41:47       -2.924022         7.049216
BFGS:    2 10:41:47       -2.976294         6.772515
BFGS:    3 10:41:47        9.461082       132.028363
BFGS:    4 10:41:47       -3.024903         6.511526
BFGS:    5 10:41:47       -3.067785         6.278072
BFGS:    6 10:41:47       11.294739       129.129949
BFGS:    7 10:41:47       -3.092458         3.738355
BFGS:    8 10:41:47       -3.084548         6.185930
BFGS:    9 10:41:47       -3.095053         0.522197
BFGS:   10 10:41:47       -3.095101         0.133504
BFGS:   11 10:41:48       -3.095104         0.000167
BFGS:   12 10:41:48       -3.095104         0.000000
BFGS:   13 10:41:48       -3.095104         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5795955125285673e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.7013445285262099, 6.39813987678884e-33, -2.106430289740057e-33], [6.249447038302216e-33, 1.7013445285262099, 3.970527681650054e-17], [-6.074295069287092e-34, 3.9705276816500536e-17, 1.7013445285262099]])
forces =  [[0. 0. 0.]]
stress =  [ 3.57959551e-12  3.57959551e-12  3.57959551e-12 -3.06136652e-29
 -1.10877295e-45  1.39442809e-60]
energy per atom =  -3.095104222098948
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0