element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:42:35      -58.893432         0.227495
BFGS:    1 09:42:35      -58.894805         0.201639
BFGS:    2 09:42:35      -58.899512         0.066313
BFGS:    3 09:42:35      -58.899398         0.097493
BFGS:    4 09:42:35      -58.899610         0.000854
BFGS:    5 09:42:35      -58.899610         0.000656
BFGS:    6 09:42:35      -58.899610         0.000706
BFGS:    7 09:42:35      -58.899610         0.000495
BFGS:    8 09:42:35      -58.899610         0.000165
BFGS:    9 09:42:35      -58.899610         0.000037
BFGS:   10 09:42:35      -58.899610         0.000003
BFGS:   11 09:42:35      -58.899610         0.000000
BFGS:   12 09:42:35      -58.899610         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.946009371599666e-10 eV/Angstrom
Maximum stress component: 6.485845249022291e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[3.54117673e-37 4.16666667e-01 2.49545170e-01]
 [6.56499685e-37 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [0.00000000e+00 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.4593667213944337, 4.380343351914568e-41, 0.0], [4.475221069457705e-40, 4.2597481162381445, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-9.39852980e-50 -8.94600937e-10 -2.44060622e-31]
 [-2.42512282e-31  8.94600937e-10 -2.44060622e-31]
 [ 1.21256141e-31 -8.94600937e-10  2.44060622e-31]
 [-1.21256141e-31  8.94600937e-10  2.44060622e-31]
 [ 1.21256141e-31 -8.94600937e-10 -2.44060622e-31]
 [-2.42512282e-31  8.94600937e-10 -2.44060622e-31]
 [ 2.42512282e-31 -8.94600937e-10  2.44060622e-31]
 [-2.42512282e-31  8.94600937e-10  2.44060622e-31]]
stress =  [ 3.42787242e-10  6.48584525e-10  8.52947479e-32  0.00000000e+00
  0.00000000e+00 -1.17655775e-33]
energy per atom =  -7.362451307210782
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0