element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:31:38      -29.003900         0.831694
BFGS:    1 14:31:38      -29.013376         0.694930
BFGS:    2 14:31:38      -29.033335         0.087970
BFGS:    3 14:31:38      -29.033604         0.056771
BFGS:    4 14:31:38      -29.033668         0.017214
BFGS:    5 14:31:38      -29.033676         0.013380
BFGS:    6 14:31:38      -29.033691         0.003813
BFGS:    7 14:31:38      -29.033692         0.000826
BFGS:    8 14:31:38      -29.033692         0.000037
BFGS:    9 14:31:38      -29.033692         0.000002
BFGS:   10 14:31:38      -29.033692         0.000000
BFGS:   11 14:31:38      -29.033692         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.1729043018944565e-10 eV/Angstrom
Maximum stress component: 7.467794716472182e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06250578]
 [0.66666666 0.33333334 0.56250578]
 [0.66666666 0.33333334 0.93749422]
 [0.33333333 0.66666667 0.43749422]]
cellpar =  Cell([[2.5171246876590723, -5.19967246407618e-19, 9.928926934527814e-38], [-1.2585623438295361, 2.1798939240057282, 4.316939058416103e-39], [4.603095515553512e-37, 1.8607584987693817e-36, 4.110592712693408]])
forces =  [[-3.30943543e-31 -5.73211031e-31  1.17290430e-10]
 [ 1.65471772e-30 -1.14642206e-30  1.17290430e-10]
 [ 9.92830630e-31  5.73211031e-31 -1.17290430e-10]
 [-4.96415315e-31  2.86605516e-31 -1.17290430e-10]]
stress =  [-3.33879386e-13 -3.33879386e-13 -7.46779472e-11  7.33633879e-33
  1.36845553e-47  1.80846844e-29]
energy per atom =  -7.258422976285997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0