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 18:20:24      -39.404696        3.2668
BFGS:    1 18:20:24      -39.842412        2.9875
BFGS:    2 18:20:24      -40.268664        2.6973
BFGS:    3 18:20:24      -40.652186        2.4207
BFGS:    4 18:20:24      -40.996788        2.1803
BFGS:    5 18:20:24      -41.308079        1.9760
BFGS:    6 18:20:24      -41.591208        1.8042
BFGS:    7 18:20:24      -41.850765        1.6611
BFGS:    8 18:20:24      -42.090768        1.5428
BFGS:    9 18:20:24      -42.314628        1.4451
BFGS:   10 18:20:24      -42.525122        1.3639
BFGS:   11 18:20:24      -42.724666        1.2994
BFGS:   12 18:20:24      -42.915632        1.2485
BFGS:   13 18:20:24      -43.099573        1.2047
BFGS:   14 18:20:24      -43.277060        1.1613
BFGS:   15 18:20:24      -43.447626        1.1112
BFGS:   16 18:20:24      -43.609721        1.0471
BFGS:   17 18:20:24      -43.760671        0.9613
BFGS:   18 18:20:24      -43.896649        0.8462
BFGS:   19 18:20:24      -44.012665        0.6939
BFGS:   20 18:20:24      -44.102578        0.4969
BFGS:   21 18:20:24      -44.159139        0.2480
BFGS:   22 18:20:24      -44.174103        0.0580
BFGS:   23 18:20:24      -44.174853        0.0047
BFGS:   24 18:20:24      -44.174858        0.0001
BFGS:   25 18:20:24      -44.174858        0.0000
BFGS:   26 18:20:24      -44.174858        0.0000
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