element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
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 =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:30:46      -59.663470         1.003281
BFGS:    1 16:30:46      -59.705241         0.939467
BFGS:    2 16:30:46      -59.828864         0.705970
BFGS:    3 16:30:46      -59.916145         0.454725
BFGS:    4 16:30:46      -59.964338         0.184603
BFGS:    5 16:30:46      -59.973294         0.011465
BFGS:    6 16:30:46      -59.973328         0.000265
BFGS:    7 16:30:46      -59.973328         0.000000
BFGS:    8 16:30:46      -59.973328         0.000000
Minimization converged after 8 steps.
Maximum force component: 9.25623031182056e-31 eV/Angstrom
Maximum stress component: 1.4228245101806788e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.022971169358879, 2.6473050934007137e-33, -3.0324075473321044e-34], [1.938452121381706e-32, 4.022971169358879, -1.6172058077600775e-18], [-1.6821720109332254e-33, -1.6172058077600716e-18, 4.022971169358879]])
forces =  [[-5.28927446e-31 -1.32231862e-31 -2.64463723e-31]
 [ 5.28927446e-31  6.61159308e-31  9.25623031e-31]
 [-5.61985412e-31  4.62811516e-31 -7.93391170e-31]
 [-2.64463723e-31 -2.64463723e-31 -1.98347792e-31]
 [ 2.31405758e-31  3.30579654e-32  6.61159308e-32]
 [-1.98347792e-31 -2.64463723e-31  2.64463723e-31]
 [-1.07438388e-31  1.32231862e-31  1.98347792e-31]
 [ 3.96695585e-31 -2.12625073e-49  5.28927446e-31]]
stress =  [-1.42282451e-12 -1.42282451e-12 -1.42282451e-12  1.16038233e-28
 -7.61599446e-33  4.83010537e-49]
energy per atom =  -7.496665944068246
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0