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 14:31:36      -29.119068         2.147756
BFGS:    1 14:31:36      -29.235323         1.829127
BFGS:    2 14:31:37      -29.380651         1.284904
BFGS:    3 14:31:37      -29.470228         0.705301
BFGS:    4 14:31:37      -29.503003         0.094409
BFGS:    5 14:31:37      -29.503234         0.040066
BFGS:    6 14:31:37      -29.503298         0.031392
BFGS:    7 14:31:37      -29.503413         0.009078
BFGS:    8 14:31:37      -29.503420         0.002391
BFGS:    9 14:31:37      -29.503421         0.000163
BFGS:   10 14:31:37      -29.503421         0.000070
BFGS:   11 14:31:37      -29.503421         0.000008
BFGS:   12 14:31:37      -29.503421         0.000000
BFGS:   13 14:31:37      -29.503421         0.000000
Minimization converged after 13 steps.
Maximum force component: 7.2038697680743e-09 eV/Angstrom
Maximum stress component: 7.373300760389472e-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([[2.4393547109295612, -6.059820523473012e-18, -5.625009623632731e-37], [-1.2196773554647806, 2.1125431485062456, -4.6699342700099447e-38], [1.6537263184670437e-36, 2.5640181857374362e-36, 3.9834495626631425]])
forces =  [[ 4.81077891e-31 -8.33251350e-31 -7.20386977e-09]
 [-9.62155783e-31 -4.63450877e-45 -7.20386977e-09]
 [-4.81077891e-31  8.33251350e-31  7.20386977e-09]
 [-4.40988067e-31  2.08312838e-31  7.20386977e-09]]
stress =  [ 2.82253230e-10  2.82253230e-10  7.37330076e-10 -2.79787836e-45
 -8.93082870e-46  6.66544709e-27]
energy per atom =  -7.375855183759992
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0