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 16:04:50       15.844292         6.617542
BFGS:    1 16:04:50       16.408701        14.266588
BFGS:    2 16:04:51       15.681959         0.172927
BFGS:    3 16:04:51       15.681851         0.003329
BFGS:    4 16:04:52       15.681851         0.000002
BFGS:    5 16:04:53       15.681851         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.2753929288738307e-21 eV/Angstrom
Maximum stress component: 2.2544666641112754e-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, -4.2635911998437135e-34, 5.962370870668192e-35], [-4.4756786708366964e-48, 4.818298255842182, 5.406702570357148e-25], [-1.2635408174291854e-32, 5.406702715319236e-25, 4.818298255842182]])
forces =  [[ 1.27539293e-22 -4.03874427e-22  1.70052391e-22]
 [-5.10157172e-22  9.77801245e-22  3.40104781e-22]
 [ 1.01030719e-21 -5.73926818e-22  1.48795842e-22]
 [ 7.65235757e-22 -8.39173979e-22 -8.50261953e-23]
 [-9.35288148e-22 -6.16439916e-22 -6.80209562e-22]
 [ 1.06282744e-21 -1.27539293e-22 -3.40104781e-22]
 [-8.92775050e-22 -8.50261953e-23  1.19036673e-21]
 [-1.11485490e-54 -5.10157172e-22  4.25130976e-22]
 [-6.80209562e-22 -7.82248425e-22 -3.40104781e-22]
 [ 4.25130976e-23 -2.55078586e-22 -2.97591683e-22]
 [-2.55078586e-22  1.23287983e-21  2.55078586e-22]
 [ 1.19036673e-21  5.10157172e-22  8.50261953e-23]
 [ 8.50261953e-23 -2.97591683e-22  4.25130976e-22]
 [-7.22722660e-22  7.65235757e-22  1.27539293e-21]
 [-8.50261953e-23  3.40104781e-22 -5.95183367e-22]
 [ 1.70052391e-22 -4.25130976e-22  9.35288148e-22]]
stress =  [ 2.25446666e-12  2.25446666e-12  2.25446666e-12 -1.76182470e-29
 -6.74024205e-61 -6.96258653e-63]
energy per atom =  0.9801156831019556
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0