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 14:18:18     -134.202775        1.2811
BFGS:    1 14:18:18     -134.331926        0.5602
BFGS:    2 14:18:19     -134.357134        0.3338
BFGS:    3 14:18:19     -134.365167        0.3157
BFGS:    4 14:18:19     -134.380086        0.2633
BFGS:    5 14:18:19     -134.395278        0.2251
BFGS:    6 14:18:19     -134.415399        0.2275
BFGS:    7 14:18:19     -134.427472        0.1545
BFGS:    8 14:18:19     -134.430931        0.0449
BFGS:    9 14:18:19     -134.431226        0.0047
BFGS:   10 14:18:19     -134.431235        0.0009
BFGS:   11 14:18:19     -134.431235        0.0002
BFGS:   12 14:18:19     -134.431235        0.0000
BFGS:   13 14:18:19     -134.431235        0.0000
BFGS:   14 14:18:19     -134.431235        0.0000
BFGS:   15 14:18:19     -134.431235        0.0000
Minimization converged after 15 steps.
Maximum force component: 2.543753212125757e-09 eV/Angstrom
Maximum stress component: 5.00263154885894e-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, -1.733196486826566e-33, -3.3925624732676876e-33], [1.3734668098649306e-32, 5.25581627515125, -3.2610425198000034e-18], [-1.7375637686344256e-32, -3.2610425197999907e-18, 5.25581627515125]])
forces =  [[ 3.30144719e-10  3.30144719e-10  3.30144719e-10]
 [-3.30144719e-10 -3.30144719e-10  3.30144719e-10]
 [-3.30144719e-10  3.30144719e-10 -3.30144719e-10]
 [ 3.30144719e-10 -3.30144719e-10 -3.30144719e-10]
 [ 3.30144719e-10  3.30144719e-10 -3.30144719e-10]
 [-3.30144719e-10 -3.30144719e-10 -3.30144719e-10]
 [ 3.30144719e-10 -3.30144719e-10  3.30144719e-10]
 [-3.30144719e-10  3.30144719e-10  3.30144719e-10]
 [-1.76218642e-42  2.54375321e-09  2.54375321e-09]
 [-1.50570218e-41 -2.54375321e-09  2.54375321e-09]
 [ 1.50570218e-41  2.54375321e-09 -2.54375321e-09]
 [-1.72754499e-31 -2.54375321e-09 -2.54375321e-09]
 [ 2.54375321e-09 -1.57830619e-27  2.54375321e-09]
 [ 2.54375321e-09  1.57830619e-27 -2.54375321e-09]
 [-2.54375321e-09 -1.57934272e-27  2.54375321e-09]
 [-2.54375321e-09  1.57796069e-27 -2.54375321e-09]
 [ 2.54375321e-09  2.54375321e-09 -1.57830619e-27]
 [-2.54375321e-09  2.54375321e-09 -1.57847895e-27]
 [ 2.54375321e-09 -2.54375321e-09  1.57726967e-27]
 [-2.54375321e-09 -2.54375321e-09  1.57796069e-27]]
stress =  [ 5.00263155e-11  5.00263155e-11  5.00263155e-11 -1.08805841e-26
  4.75958221e-33 -7.94948726e-49]
energy per atom =  -6.721561753781036
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0