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 14:13:53        8.459289      132.7350
BFGS:    1 14:13:53       -2.924022        7.0492
BFGS:    2 14:13:53       -2.976294        6.7725
BFGS:    3 14:13:54        9.461082      132.0284
BFGS:    4 14:13:54       -3.024903        6.5115
BFGS:    5 14:13:54       -3.067785        6.2781
BFGS:    6 14:13:54       11.294739      129.1299
BFGS:    7 14:13:54       -3.092458        3.7384
BFGS:    8 14:13:54       -3.084548        6.1859
BFGS:    9 14:13:54       -3.095053        0.5222
BFGS:   10 14:13:54       -3.095101        0.1335
BFGS:   11 14:13:54       -3.095104        0.0002
BFGS:   12 14:13:54       -3.095104        0.0000
BFGS:   13 14:13:54       -3.095104        0.0000
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