element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:00      -58.756397        0.4377
BFGS:    1 15:41:00      -58.764801        0.2123
BFGS:    2 15:41:00      -58.766402        0.2082
BFGS:    3 15:41:00      -58.767636        0.1852
BFGS:    4 15:41:01      -58.770168        0.1177
BFGS:    5 15:41:01      -58.772263        0.1514
BFGS:    6 15:41:01      -58.773140        0.0715
BFGS:    7 15:41:01      -58.773246        0.0113
BFGS:    8 15:41:01      -58.773249        0.0020
BFGS:    9 15:41:01      -58.773249        0.0017
BFGS:   10 15:41:01      -58.773250        0.0014
BFGS:   11 15:41:01      -58.773250        0.0009
BFGS:   12 15:41:01      -58.773250        0.0004
BFGS:   13 15:41:01      -58.773250        0.0001
BFGS:   14 15:41:01      -58.773250        0.0000
BFGS:   15 15:41:01      -58.773250        0.0000
BFGS:   16 15:41:01      -58.773250        0.0000
BFGS:   17 15:41:01      -58.773250        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.8448988227867695e-10 eV/Angstrom
Maximum stress component: 4.371192638013628e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 6.61304251e-36 9.37500000e-02]
 [1.64529949e-35 0.00000000e+00 5.93750000e-01]
 [6.35571616e-36 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 1.44889352e-35 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.526186304074791, -3.4038391982051203e-19, 2.5138933332429325e-38], [-1.2630931520373956, 2.1877415140210887, 9.42324188012754e-38], [-9.202027210876657e-37, 5.889997227019412e-37, 8.250489920131006]])
forces =  [[ 9.96404807e-31 -4.31455938e-31  3.84489882e-10]
 [-7.89469173e-31  3.60670198e-31  3.84489882e-10]
 [-4.15168670e-31  1.43818646e-31 -3.84489882e-10]
 [ 4.98202404e-31 -4.31455938e-31 -3.84489882e-10]
 [ 6.22753005e-31 -9.34821199e-31 -1.41620435e-10]
 [-4.15168670e-32  2.15727969e-31 -1.41620435e-10]
 [ 2.49101202e-31 -5.75274584e-31  1.41620435e-10]
 [ 1.82674215e-30 -2.87637292e-31  1.41620435e-10]]
stress =  [ 3.14614643e-11  3.14614643e-11 -4.37119264e-11  3.64202935e-33
 -1.57704497e-33  7.34197052e-27]
energy per atom =  -7.346656256064977
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0