element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_AIREBO_LJ_StuartTuteinHarrison_2000_CH__SM_069621990420_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:37:36     -134.202775         1.281082
BFGS:    1 16:37:36     -134.331926         0.560202
BFGS:    2 16:37:36     -134.357134         0.333792
BFGS:    3 16:37:36     -134.365167         0.315668
BFGS:    4 16:37:36     -134.380086         0.263292
BFGS:    5 16:37:36     -134.395278         0.225074
BFGS:    6 16:37:36     -134.415399         0.227547
BFGS:    7 16:37:36     -134.427472         0.154465
BFGS:    8 16:37:36     -134.430931         0.044929
BFGS:    9 16:37:37     -134.431226         0.004680
BFGS:   10 16:37:37     -134.431235         0.000921
BFGS:   11 16:37:37     -134.431235         0.000151
BFGS:   12 16:37:37     -134.431235         0.000025
BFGS:   13 16:37:37     -134.431235         0.000002
BFGS:   14 16:37:37     -134.431235         0.000000
BFGS:   15 16:37:37     -134.431235         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.5437809237095862e-09 eV/Angstrom
Maximum stress component: 5.002688882540636e-11 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', 'C', 'C', 'C', 'C']
basis =  [[0.26056534 0.26056534 0.26056534]
 [0.73943466 0.73943466 0.26056534]
 [0.73943466 0.26056534 0.73943466]
 [0.26056534 0.73943466 0.73943466]
 [0.26056534 0.26056534 0.73943466]
 [0.73943466 0.73943466 0.73943466]
 [0.26056534 0.73943466 0.26056534]
 [0.73943466 0.26056534 0.26056534]
 [0.5        0.15305465 0.15305465]
 [0.5        0.84694535 0.15305465]
 [0.5        0.15305465 0.84694535]
 [0.5        0.84694535 0.84694535]
 [0.15305465 0.5        0.15305465]
 [0.15305465 0.5        0.84694535]
 [0.84694535 0.5        0.15305465]
 [0.84694535 0.5        0.84694535]
 [0.15305465 0.15305465 0.5       ]
 [0.84694535 0.15305465 0.5       ]
 [0.15305465 0.84694535 0.5       ]
 [0.84694535 0.84694535 0.5       ]]
cellpar =  Cell([[5.25581627515125, 2.5986982534908917e-32, -2.0550526413754797e-32], [8.834360689435205e-33, 5.25581627515125, -6.095007037556298e-19], [3.486686626938806e-32, -6.095007037556782e-19, 5.25581627515125]])
forces =  [[ 3.30192505e-10  3.30192505e-10  3.30192505e-10]
 [-3.30192505e-10 -3.30192505e-10  3.30192505e-10]
 [-3.30192505e-10  3.30192505e-10 -3.30192505e-10]
 [ 3.30192505e-10 -3.30192505e-10 -3.30192505e-10]
 [ 3.30192505e-10  3.30192505e-10 -3.30192505e-10]
 [-3.30192505e-10 -3.30192505e-10 -3.30192505e-10]
 [ 3.30192505e-10 -3.30192505e-10  3.30192505e-10]
 [-3.30192505e-10  3.30192505e-10  3.30192505e-10]
 [ 4.31886249e-32  2.54378092e-09  2.54378092e-09]
 [-4.31886248e-32 -2.54378092e-09  2.54378092e-09]
 [-1.25995635e-41  2.54378092e-09 -2.54378092e-09]
 [-2.11511099e-41 -2.54378092e-09 -2.54378092e-09]
 [ 2.54378092e-09 -2.95005177e-28  2.54378092e-09]
 [ 2.54378092e-09  2.94994380e-28 -2.54378092e-09]
 [-2.54378092e-09 -2.94994380e-28  2.54378092e-09]
 [-2.54378092e-09  2.94994380e-28 -2.54378092e-09]
 [ 2.54378092e-09  2.54378092e-09 -2.94951191e-28]
 [-2.54378092e-09  2.54378092e-09 -2.95037569e-28]
 [ 2.54378092e-09 -2.54378092e-09  2.94994380e-28]
 [-2.54378092e-09 -2.54378092e-09  2.94994380e-28]]
stress =  [ 5.00268888e-11  5.00268888e-11  5.00268888e-11 -1.23788264e-26
 -3.56968666e-33  3.26166378e-49]
energy per atom =  -6.721561753781037
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0