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 15:59:39      -88.340316        0.2239
BFGS:    1 15:59:39      -88.341692        0.2063
BFGS:    2 15:59:39      -88.349415        0.0019
BFGS:    3 15:59:39      -88.349416        0.0002
BFGS:    4 15:59:39      -88.349416        0.0002
BFGS:    5 15:59:39      -88.349416        0.0000
BFGS:    6 15:59:39      -88.349416        0.0000
BFGS:    7 15:59:39      -88.349416        0.0000
Minimization converged after 7 steps.
Maximum force component: 3.7624483478151816e-13 eV/Angstrom
Maximum stress component: 1.276127426579018e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[2.86763322e-31 5.63426212e-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 2.79200732e-31 2.20298478e-01]
 [1.00000000e+00 9.81812599e-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([[2.459366721294539, 1.8994293457975023e-18, 5.698483092962683e-38], [-1.2296833606472695, 2.1298740578631143, -5.323462775569441e-34], [8.220959785726684e-37, -2.6868488293340726e-30, 36.41689990943158]])
forces =  [[ 3.23349710e-31 -3.73372084e-31 -3.76244835e-13]
 [-4.31132946e-31 -2.77597797e-44  3.76244835e-13]
 [ 6.46699419e-31 -5.60058126e-31 -3.76244835e-13]
 [-5.11970374e-31 -2.77598422e-44  3.76244835e-13]
 [ 6.19753610e-31 -5.60058126e-31 -3.76244835e-13]
 [-4.31132946e-31  1.86686042e-31  3.76244835e-13]
 [ 9.43103320e-32  2.33357552e-32 -3.76244835e-13]
 [-1.61674855e-31  9.33430210e-32  3.76244835e-13]
 [ 2.42512282e-31 -3.26700573e-31 -3.76244835e-13]
 [-1.34729046e-31 -2.77595508e-44  3.76244835e-13]
 [ 2.15566473e-31  2.77596132e-44 -3.76244835e-13]
 [-5.38916183e-32  9.33430210e-32  3.76244835e-13]]
stress =  [-1.27612743e-14 -1.27612743e-14  1.45672859e-27 -1.10357301e-36
  1.81960182e-52 -2.47028820e-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