element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
EDIP_LAMMPS_Marks_2000_C__MO_374144505645_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:16:09      -54.711491        1.9646
BFGS:    1 17:16:09      -54.618513        2.8285
BFGS:    2 17:16:09      -54.838955        1.3232
BFGS:    3 17:16:09      -54.876557        1.1548
BFGS:    4 17:16:09      -54.930422        0.8577
BFGS:    5 17:16:09      -54.970890        0.5844
BFGS:    6 17:16:09      -54.998541        0.3686
BFGS:    7 17:16:09      -55.011626        0.1470
BFGS:    8 17:16:09      -55.012821        0.1007
BFGS:    9 17:16:09      -55.013352        0.1011
BFGS:   10 17:16:09      -55.014301        0.1012
BFGS:   11 17:16:09      -55.015183        0.1232
BFGS:   12 17:16:09      -55.015795        0.0746
BFGS:   13 17:16:09      -55.015938        0.0194
BFGS:   14 17:16:09      -55.015951        0.0011
BFGS:   15 17:16:09      -55.015951        0.0001
BFGS:   16 17:16:09      -55.015951        0.0000
BFGS:   17 17:16:09      -55.015951        0.0000
BFGS:   18 17:16:09      -55.015951        0.0000
BFGS:   19 17:16:09      -55.015951        0.0000
BFGS:   20 17:16:09      -55.015951        0.0000
Minimization converged after 20 steps.
Maximum force component: 7.267190599692531e-10 eV/Angstrom
Maximum stress component: 6.397483215839114e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81795965 0.81795965 0.        ]
 [0.18204035 0.18204035 0.        ]
 [0.18204035 0.81795965 0.        ]
 [0.81795965 0.18204035 0.        ]
 [0.31795965 0.31795965 0.5       ]
 [0.68204035 0.68204035 0.5       ]
 [0.68204035 0.31795965 0.5       ]
 [0.31795965 0.68204035 0.5       ]]
cellpar =  Cell([[4.405999194254061, -8.445409253907721e-36, 3.225158275626315e-32], [5.1096147865533774e-36, 4.4059991942540595, 1.407205783677728e-18], [5.5390588722039045e-33, 7.058711409457935e-19, 2.6010444946144546]])
forces =  [[ 7.26719060e-10  7.26719060e-10  2.32134523e-28]
 [-7.26719060e-10 -7.26719060e-10 -2.32150553e-28]
 [-7.26719060e-10  7.26719060e-10  2.32166584e-28]
 [ 7.26719060e-10 -7.26719060e-10 -2.32150553e-28]
 [ 7.26719060e-10  7.26719060e-10  2.32078418e-28]
 [-7.26719060e-10 -7.26719060e-10 -2.32150553e-28]
 [-7.26719060e-10  7.26719060e-10  2.32162576e-28]
 [ 7.26719060e-10 -7.26719060e-10 -2.32154561e-28]]
stress =  [ 6.39748322e-11  6.39748322e-11  3.39356446e-11 -2.53061642e-26
  5.37772102e-34  6.76090622e-50]
energy per atom =  -6.876993896248659
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0