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 17:42:24      -94.342479        5.5998
BFGS:    1 17:42:24      -96.020918        1.8676
BFGS:    2 17:42:24      -96.224144        0.9922
BFGS:    3 17:42:24      -96.271281        0.9392
BFGS:    4 17:42:24      -96.400632        0.7803
BFGS:    5 17:42:24      -96.506503        0.6267
BFGS:    6 17:42:24      -96.589641        0.4782
BFGS:    7 17:42:24      -96.650800        0.3346
BFGS:    8 17:42:24      -96.690717        0.1960
BFGS:    9 17:42:24      -96.710105        0.0620
BFGS:   10 17:42:25      -96.712322        0.0016
BFGS:   11 17:42:25      -96.712324        0.0001
BFGS:   12 17:42:25      -96.712324        0.0000
BFGS:   13 17:42:25      -96.712324        0.0000
BFGS:   14 17:42:25      -96.712324        0.0000
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