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_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_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 15:24:59      -29.119068        2.1478
BFGS:    1 15:24:59      -29.235323        1.8291
BFGS:    2 15:25:00      -29.380651        1.2849
BFGS:    3 15:25:00      -29.470228        0.7053
BFGS:    4 15:25:00      -29.503003        0.0944
BFGS:    5 15:25:00      -29.503234        0.0401
BFGS:    6 15:25:00      -29.503298        0.0314
BFGS:    7 15:25:00      -29.503413        0.0091
BFGS:    8 15:25:00      -29.503420        0.0024
BFGS:    9 15:25:00      -29.503421        0.0002
BFGS:   10 15:25:00      -29.503421        0.0001
BFGS:   11 15:25:00      -29.503421        0.0000
BFGS:   12 15:25:00      -29.503421        0.0000
BFGS:   13 15:25:00      -29.503421        0.0000
Minimization converged after 13 steps.
Maximum force component: 7.2038254441547656e-09 eV/Angstrom
Maximum stress component: 7.373297190832939e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.4393547109295604, 3.4270155644659798e-18, 2.7658874236621684e-36], [-1.2196773554647802, 2.112543148506246, -9.182524488853333e-37], [9.808308251883728e-37, 3.186497578603461e-36, 3.983449562663142]])
forces =  [[ 1.28287438e-30 -1.11100180e-30 -7.20382544e-09]
 [-9.62155783e-31  5.55500900e-31 -7.20382544e-09]
 [-1.28287438e-30  1.11100180e-30  7.20382544e-09]
 [ 9.62155783e-31 -5.55500900e-31  7.20382544e-09]]
stress =  [ 2.82251510e-10  2.82251510e-10  7.37329719e-10 -7.81185686e-33
 -3.86550539e-45  6.52896902e-26]
energy per atom =  -7.375855183759993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0