element(s):
['C']
AFLOW prototype label:
A_hR4_166_2c
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.467734', '14.757233', '0.94637264', '0.72030293']
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.         0.44637264]
 [0.         0.         0.22030293]]
spacegroup =  166
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 36.4169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:06:43      -88.340316         0.223863
BFGS:    1 15:06:43      -88.341692         0.206343
BFGS:    2 15:06:43      -88.349415         0.001878
BFGS:    3 15:06:43      -88.349416         0.000192
BFGS:    4 15:06:43      -88.349416         0.000174
BFGS:    5 15:06:43      -88.349416         0.000001
BFGS:    6 15:06:43      -88.349416         0.000000
BFGS:    7 15:06:43      -88.349416         0.000000
Minimization converged after 7 steps.
Maximum force component: 3.847892954177261e-13 eV/Angstrom
Maximum stress component: 1.0043636357171439e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.67589621e-31 5.79004844e-31 4.46368188e-01]
 [0.00000000e+00 1.03900403e-16 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 2.20298478e-01]
 [1.14897458e-17 2.76975211e-31 2.20298478e-01]
 [1.00000000e+00 9.72054555e-31 7.79701522e-01]
 [6.66666667e-01 3.33333333e-01 5.53631812e-01]
 [6.66666667e-01 3.33333333e-01 1.13034855e-01]
 [3.33333333e-01 6.66666667e-01 8.86965145e-01]
 [3.33333333e-01 6.66666667e-01 4.46368188e-01]]
cellpar =  Cell([[2.4593667212945407, 3.8634655889276776e-18, 5.698476591800702e-38], [-1.2296833606472704, 2.1298740578631157, -5.323462775460571e-34], [8.41812043929941e-37, -2.6868488451634532e-30, 36.41689990943158]])
forces =  [[-1.21256141e-31 -1.16678776e-31 -3.84789295e-13]
 [-1.50896531e-30  7.46744168e-31  3.84789295e-13]
 [-2.15566473e-31  2.83895209e-44 -3.84789295e-13]
 [-5.38916183e-31  3.73372084e-31  3.84789295e-13]
 [ 1.75147759e-31 -3.73372084e-31 -3.84789295e-13]
 [-3.50295519e-31  9.33430210e-32  3.84789295e-13]
 [-3.50295519e-31 -4.66715105e-31 -3.84789295e-13]
 [ 4.31132946e-31  3.73372084e-31  3.84789295e-13]
 [-4.31132946e-31 -3.73372084e-31 -3.84789295e-13]
 [ 3.09876805e-31  3.73372084e-31  3.84789295e-13]
 [-7.54482656e-31 -3.73372084e-31 -3.84789295e-13]
 [-5.52389087e-31  3.50036329e-31  3.84789295e-13]]
stress =  [-1.00436364e-14 -1.00436364e-14  1.42285118e-27 -7.41022240e-46
  2.32155082e-52  1.72940978e-30]
energy per atom =  -7.362451307210789
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0