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:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== 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 17:29:22      -54.333582         1.770640
BFGS:    1 17:29:22      -54.315136         2.257017
BFGS:    2 17:29:22      -54.464052         1.443675
BFGS:    3 17:29:22      -54.502020         1.220749
BFGS:    4 17:29:22      -54.554736         0.897985
BFGS:    5 17:29:22      -54.594720         0.609768
BFGS:    6 17:29:22      -54.621551         0.343375
BFGS:    7 17:29:22      -54.634524         0.093706
BFGS:    8 17:29:22      -54.635759         0.017191
BFGS:    9 17:29:22      -54.635772         0.016740
BFGS:   10 17:29:22      -54.635796         0.013598
BFGS:   11 17:29:22      -54.635813         0.016535
BFGS:   12 17:29:22      -54.635829         0.011884
BFGS:   13 17:29:22      -54.635833         0.003761
BFGS:   14 17:29:22      -54.635833         0.000319
BFGS:   15 17:29:22      -54.635833         0.000019
BFGS:   16 17:29:22      -54.635833         0.000002
BFGS:   17 17:29:22      -54.635833         0.000000
BFGS:   18 17:29:22      -54.635833         0.000000
BFGS:   19 17:29:22      -54.635833         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.2527811288354237e-09 eV/Angstrom
Maximum stress component: 3.0991846681514465e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.81727644 0.81727644 0.        ]
 [0.18272356 0.18272356 0.        ]
 [0.18272356 0.81727644 0.        ]
 [0.81727644 0.18272356 0.        ]
 [0.31727644 0.31727644 0.5       ]
 [0.68272356 0.68272356 0.5       ]
 [0.68272356 0.31727644 0.5       ]
 [0.31727644 0.68272356 0.5       ]]
cellpar =  Cell([[4.385119526773339, 3.890770006104511e-35, -4.754489425142256e-33], [5.212030133334129e-35, 4.385119526773341, -1.2058779572100196e-18], [7.764049427485399e-33, -7.141014427440828e-19, 2.60020052008545]])
forces =  [[ 1.25278113e-09  1.25278113e-09 -3.44602415e-28]
 [-1.25278113e-09 -1.25278113e-09  3.44634464e-28]
 [-1.25278113e-09  1.25278113e-09 -3.44538315e-28]
 [ 1.25278113e-09 -1.25278113e-09  3.44570365e-28]
 [ 1.25278113e-09  1.25278113e-09 -3.44634464e-28]
 [-1.25278113e-09 -1.25278113e-09  3.44634464e-28]
 [-1.25278113e-09  1.25278113e-09 -3.44506265e-28]
 [ 1.25278113e-09 -1.25278113e-09  3.44506265e-28]]
stress =  [ 1.83199042e-10  1.83199042e-10 -3.09918467e-10  5.47470412e-26
 -8.72393472e-43  9.68910527e-59]
energy per atom =  -6.8294791321573145
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0