element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.16261302 0.16261302 0.16261302]]
spacegroup =  229
cell =  [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:31      -94.342479         5.599846
BFGS:    1 15:55:31      -96.020918         1.867592
BFGS:    2 15:55:31      -96.224144         0.992160
BFGS:    3 15:55:31      -96.271281         0.939249
BFGS:    4 15:55:31      -96.400632         0.780308
BFGS:    5 15:55:31      -96.506503         0.626663
BFGS:    6 15:55:31      -96.589641         0.478152
BFGS:    7 15:55:31      -96.650800         0.334639
BFGS:    8 15:55:31      -96.690717         0.195986
BFGS:    9 15:55:31      -96.710105         0.062042
BFGS:   10 15:55:31      -96.712322         0.001555
BFGS:   11 15:55:31      -96.712324         0.000124
BFGS:   12 15:55:31      -96.712324         0.000024
BFGS:   13 15:55:31      -96.712324         0.000000
BFGS:   14 15:55:31      -96.712324         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.572451587803416e-09 eV/Angstrom
Maximum stress component: 8.364753412438251e-10 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 =  [[0.16722737 0.16722737 0.16722737]
 [0.83277263 0.83277263 0.16722737]
 [0.83277263 0.16722737 0.83277263]
 [0.16722737 0.83277263 0.83277263]
 [0.16722737 0.16722737 0.83277263]
 [0.83277263 0.83277263 0.83277263]
 [0.16722737 0.83277263 0.16722737]
 [0.83277263 0.16722737 0.16722737]
 [0.66722737 0.66722737 0.66722737]
 [0.33277263 0.33277263 0.66722737]
 [0.33277263 0.66722737 0.33277263]
 [0.66722737 0.33277263 0.33277263]
 [0.66722737 0.66722737 0.33277263]
 [0.33277263 0.33277263 0.33277263]
 [0.66722737 0.33277263 0.66722737]
 [0.33277263 0.66722737 0.66722737]]
cellpar =  Cell([[4.987957458978849, -3.804072139557615e-32, 3.315137312360229e-33], [-4.765520941066402e-33, 4.987957458978849, -2.54244274374766e-18], [9.523658681978034e-33, -2.5424427437476606e-18, 4.987957458978849]])
forces =  [[-1.57245159e-09 -1.57245159e-09 -1.57245159e-09]
 [ 1.57245159e-09  1.57245159e-09 -1.57245159e-09]
 [ 1.57245159e-09 -1.57245159e-09  1.57245159e-09]
 [-1.57245159e-09  1.57245159e-09  1.57245159e-09]
 [-1.57245159e-09 -1.57245159e-09  1.57245159e-09]
 [ 1.57245159e-09  1.57245159e-09  1.57245159e-09]
 [-1.57245159e-09  1.57245159e-09 -1.57245159e-09]
 [ 1.57245159e-09 -1.57245159e-09 -1.57245159e-09]
 [-1.57245159e-09 -1.57245159e-09 -1.57245159e-09]
 [ 1.57245159e-09  1.57245159e-09 -1.57245159e-09]
 [ 1.57245159e-09 -1.57245159e-09  1.57245159e-09]
 [-1.57245159e-09  1.57245159e-09  1.57245159e-09]
 [-1.57245159e-09 -1.57245159e-09  1.57245159e-09]
 [ 1.57245159e-09  1.57245159e-09  1.57245159e-09]
 [-1.57245159e-09  1.57245159e-09 -1.57245159e-09]
 [ 1.57245159e-09 -1.57245159e-09 -1.57245159e-09]]
stress =  [8.36475341e-10 8.36475341e-10 8.36475341e-10 1.43815989e-25
 4.95421646e-34 5.64294583e-50]
energy per atom =  -6.044520244391064
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0