element(s):
['C']
AFLOW prototype label:
A_hP12_194_bc2f
Parameter names:
['a', 'c/a', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4678', '13.950077', '0.86916696', '0.13083843']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.86916696]
 [0.33333333 0.66666667 0.13083843]]
spacegroup =  194
cell =  [[2.4678, 0, 0], [-1.2339, 2.1371774914592, 0], [0, 0, 34.426]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:28:36      -88.340097        0.2265
BFGS:    1 14:28:36      -88.341506        0.2088
BFGS:    2 14:28:36      -88.349415        0.0019
BFGS:    3 14:28:37      -88.349416        0.0001
BFGS:    4 14:28:37      -88.349416        0.0001
BFGS:    5 14:28:37      -88.349416        0.0000
BFGS:    6 14:28:37      -88.349416        0.0000
BFGS:    7 14:28:37      -88.349416        0.0000
BFGS:    8 14:28:37      -88.349416        0.0000
BFGS:    9 14:28:37      -88.349416        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.862363054311424e-10 eV/Angstrom
Maximum stress component: 2.0608691905811918e-11 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 1.60351205e-35 2.50000000e-01]
 [1.69113031e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 8.69164265e-01]
 [6.66666667e-01 3.33333333e-01 3.69164265e-01]
 [6.66666667e-01 3.33333333e-01 1.30835735e-01]
 [3.33333333e-01 6.66666667e-01 6.30835735e-01]
 [3.33333333e-01 6.66666667e-01 1.30835735e-01]
 [6.66666667e-01 3.33333333e-01 6.30835735e-01]
 [6.66666667e-01 3.33333333e-01 8.69164265e-01]
 [3.33333333e-01 6.66666667e-01 3.69164265e-01]]
cellpar =  Cell([[2.459366721283083, 3.514194136067901e-18, 1.2714632655554693e-40], [-1.2296833606415416, 2.129874057853193, -1.1763896936033947e-40], [3.086769798705859e-39, -9.022671453081935e-39, 34.42599998127817]])
forces =  [[ 7.67955560e-31 -3.50036329e-31  8.21379933e-51]
 [-9.70049129e-31  5.60058126e-31 -6.43671834e-71]
 [-5.25443278e-31  2.10021797e-31 -8.21417915e-51]
 [ 8.08374274e-32 -1.40014531e-31  7.73339865e-72]
 [ 2.02093569e-32  2.08732090e-49 -6.86236305e-10]
 [-5.65861992e-31  4.20043594e-31 -6.86236305e-10]
 [-2.02093569e-32 -2.08732090e-49  6.86236305e-10]
 [ 3.23349710e-31  2.82180163e-49  6.86236305e-10]
 [ 4.04187137e-32  3.15032696e-31 -6.86236305e-10]
 [ 1.61674855e-31  2.80029063e-31 -6.86236305e-10]
 [-4.04187137e-32 -3.15032696e-31  6.86236305e-10]
 [-2.42512282e-31 -1.40014531e-31  6.86236305e-10]]
stress =  [-2.06086919e-11 -2.06086919e-11  3.31927998e-21 -1.75109109e-36
  1.89335220e-51 -3.47622329e-27]
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