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 16:42:17      -94.342479         5.599846
BFGS:    1 16:42:17      -96.020918         1.867592
BFGS:    2 16:42:17      -96.224144         0.992160
BFGS:    3 16:42:18      -96.271281         0.939249
BFGS:    4 16:42:18      -96.400632         0.780308
BFGS:    5 16:42:19      -96.506503         0.626663
BFGS:    6 16:42:19      -96.589641         0.478152
BFGS:    7 16:42:19      -96.650800         0.334639
BFGS:    8 16:42:19      -96.690717         0.195986
BFGS:    9 16:42:19      -96.710105         0.062042
BFGS:   10 16:42:19      -96.712322         0.001555
BFGS:   11 16:42:19      -96.712324         0.000124
BFGS:   12 16:42:20      -96.712324         0.000024
BFGS:   13 16:42:20      -96.712324         0.000000
BFGS:   14 16:42:20      -96.712324         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.5724682398078605e-09 eV/Angstrom
Maximum stress component: 8.364741201618481e-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([[4.9879574589788485, 2.0095293428908755e-33, 2.6144326447414842e-33], [9.905835352350268e-33, 4.9879574589788485, 4.872123912973236e-18], [-2.1218683339033934e-33, 4.8721239129732466e-18, 4.9879574589788485]])
forces =  [[-1.57246824e-09 -1.57246824e-09 -1.57246824e-09]
 [ 1.57246824e-09  1.57246824e-09 -1.57246824e-09]
 [ 1.57246824e-09 -1.57246824e-09  1.57246824e-09]
 [-1.57246824e-09  1.57246824e-09  1.57246824e-09]
 [-1.57246824e-09 -1.57246824e-09  1.57246824e-09]
 [ 1.57246824e-09  1.57246824e-09  1.57246824e-09]
 [-1.57246824e-09  1.57246824e-09 -1.57246824e-09]
 [ 1.57246824e-09 -1.57246824e-09 -1.57246824e-09]
 [-1.57246824e-09 -1.57246824e-09 -1.57246824e-09]
 [ 1.57246824e-09  1.57246824e-09 -1.57246824e-09]
 [ 1.57246824e-09 -1.57246824e-09  1.57246824e-09]
 [-1.57246824e-09  1.57246824e-09  1.57246824e-09]
 [-1.57246824e-09 -1.57246824e-09  1.57246824e-09]
 [ 1.57246824e-09  1.57246824e-09  1.57246824e-09]
 [-1.57246824e-09  1.57246824e-09 -1.57246824e-09]
 [ 1.57246824e-09 -1.57246824e-09 -1.57246824e-09]]
stress =  [ 8.36474120e-10  8.36474120e-10  8.36474120e-10  1.61592542e-27
  1.32112439e-33 -8.92909795e-51]
energy per atom =  -6.044520244391061
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0