element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:27      -88.143528        0.4490
BFGS:    1 14:31:27      -88.151206        0.2816
BFGS:    2 14:31:27      -88.155128        0.1417
BFGS:    3 14:31:27      -88.155638        0.1252
BFGS:    4 14:31:27      -88.156207        0.1207
BFGS:    5 14:31:27      -88.158583        0.1134
BFGS:    6 14:31:27      -88.159628        0.0793
BFGS:    7 14:31:28      -88.159861        0.0192
BFGS:    8 14:31:28      -88.159873        0.0023
BFGS:    9 14:31:28      -88.159874        0.0019
BFGS:   10 14:31:28      -88.159874        0.0018
BFGS:   11 14:31:28      -88.159875        0.0015
BFGS:   12 14:31:28      -88.159875        0.0012
BFGS:   13 14:31:28      -88.159875        0.0004
BFGS:   14 14:31:28      -88.159875        0.0001
BFGS:   15 14:31:28      -88.159875        0.0000
BFGS:   16 14:31:28      -88.159875        0.0000
BFGS:   17 14:31:28      -88.159875        0.0000
Minimization converged after 17 steps.
Maximum force component: 7.408315692269913e-09 eV/Angstrom
Maximum stress component: 4.913640375651406e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 1.87500000e-01]
 [0.00000000e+00 0.00000000e+00 6.87500000e-01]
 [2.52331256e-35 1.34864934e-35 8.12500000e-01]
 [2.76267393e-35 6.15656581e-36 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.526186304181388, -1.3094182856465912e-19, 2.8070589164935167e-37], [-1.263093152090694, 2.187741514113404, 9.303289864302953e-38], [4.029617104516625e-37, 1.3065052179160487e-36, 12.375734878999769]])
forces =  [[ 5.81236138e-31 -7.19093230e-31  4.84469888e-09]
 [-6.64269872e-31  2.87637292e-31  4.84469888e-09]
 [-8.30337339e-31  2.87637292e-31 -4.84469888e-09]
 [ 5.81236138e-31 -4.31455938e-31 -4.84469888e-09]
 [ 9.96404807e-31 -2.87637292e-31  7.40831569e-09]
 [-3.32134936e-31  7.82112437e-46  7.40831569e-09]
 [-2.41219418e-46 -7.82095221e-46 -7.40831569e-09]
 [ 6.64269872e-31 -5.75274584e-31 -7.40831569e-09]
 [-4.15168670e-31 -1.43818646e-31 -5.57342450e-09]
 [-1.83394374e-46 -2.87637292e-31 -5.57342450e-09]
 [ 4.98202404e-31  5.88360099e-46  5.57342450e-09]
 [ 1.81474207e-46  5.88385923e-46  5.57342450e-09]]
stress =  [ 1.99784514e-10  1.99784514e-10 -4.91364038e-10 -1.36576101e-33
 -2.62840828e-34 -5.73859212e-26]
energy per atom =  -7.346656256064872
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0