element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:19      -39.404696         3.266752
BFGS:    1 16:33:19      -39.842412         2.987533
BFGS:    2 16:33:19      -40.268664         2.697342
BFGS:    3 16:33:19      -40.652186         2.420729
BFGS:    4 16:33:19      -40.996788         2.180287
BFGS:    5 16:33:19      -41.308079         1.975986
BFGS:    6 16:33:19      -41.591208         1.804166
BFGS:    7 16:33:19      -41.850765         1.661067
BFGS:    8 16:33:20      -42.090768         1.542764
BFGS:    9 16:33:20      -42.314628         1.445127
BFGS:   10 16:33:20      -42.525122         1.363911
BFGS:   11 16:33:20      -42.724666         1.299445
BFGS:   12 16:33:20      -42.915632         1.248498
BFGS:   13 16:33:20      -43.099573         1.204692
BFGS:   14 16:33:20      -43.277060         1.161287
BFGS:   15 16:33:20      -43.447626         1.111210
BFGS:   16 16:33:20      -43.609721         1.047090
BFGS:   17 16:33:20      -43.760671         0.961322
BFGS:   18 16:33:20      -43.896649         0.846168
BFGS:   19 16:33:20      -44.012665         0.693882
BFGS:   20 16:33:20      -44.102578         0.496893
BFGS:   21 16:33:20      -44.159139         0.248047
BFGS:   22 16:33:20      -44.174103         0.058008
BFGS:   23 16:33:20      -44.174853         0.004712
BFGS:   24 16:33:20      -44.174858         0.000078
BFGS:   25 16:33:20      -44.174858         0.000000
BFGS:   26 16:33:20      -44.174858         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.6949172051401908e-31 eV/Angstrom
Maximum stress component: 2.2517959178570487e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.685092680221273, 1.6330153071106465e-32, -8.287571405891301e-33], [-3.197231201978338e-32, 4.685092680221273, -8.743416953797853e-18], [1.2011812205233058e-32, -8.743416953797873e-18, 4.685092680221273]])
forces =  [[-1.92494086e-32  7.69976344e-32  1.53995269e-31]
 [-1.53995269e-31 -2.69491721e-31  1.15496452e-31]
 [-6.25605780e-32  5.53420497e-32 -3.84988172e-32]
 [-3.84988172e-32 -7.69976344e-32 -2.30992903e-31]
 [ 7.69976344e-32  1.53995269e-31 -2.30992903e-31]
 [-3.84988172e-32 -2.30992903e-31 -1.15496452e-31]
 [ 2.69491721e-31 -2.64679368e-31 -3.84988172e-32]
 [ 3.94818710e-64 -2.87389159e-49  1.53995269e-31]]
stress =  [-2.25179592e-13 -2.25179592e-13 -2.25179592e-13  8.96927478e-30
 -3.74362921e-34  1.54747783e-50]
energy per atom =  -5.521857285835528
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0