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 17:16:31      -54.333582        1.7706
BFGS:    1 17:16:31      -54.315136        2.2570
BFGS:    2 17:16:31      -54.464052        1.4437
BFGS:    3 17:16:31      -54.502020        1.2207
BFGS:    4 17:16:31      -54.554736        0.8980
BFGS:    5 17:16:31      -54.594720        0.6098
BFGS:    6 17:16:31      -54.621551        0.3434
BFGS:    7 17:16:31      -54.634524        0.0937
BFGS:    8 17:16:31      -54.635759        0.0172
BFGS:    9 17:16:31      -54.635772        0.0167
BFGS:   10 17:16:31      -54.635796        0.0136
BFGS:   11 17:16:31      -54.635813        0.0165
BFGS:   12 17:16:31      -54.635829        0.0119
BFGS:   13 17:16:31      -54.635833        0.0038
BFGS:   14 17:16:31      -54.635833        0.0003
BFGS:   15 17:16:31      -54.635833        0.0000
BFGS:   16 17:16:31      -54.635833        0.0000
BFGS:   17 17:16:31      -54.635833        0.0000
BFGS:   18 17:16:31      -54.635833        0.0000
BFGS:   19 17:16:31      -54.635833        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.2527880677293268e-09 eV/Angstrom
Maximum stress component: 3.09920880183647e-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, 5.267808226704417e-36, 2.4767863226625255e-33], [9.132916041799317e-37, 4.38511952677334, 6.0736157516180456e-18], [-4.214458802880963e-33, 3.5420773566816374e-18, 2.600200520085449]])
forces =  [[ 1.25278807e-09  1.25278807e-09  1.73519184e-27]
 [-1.25278807e-09 -1.25278807e-09 -1.73519983e-27]
 [-1.25278807e-09  1.25278807e-09  1.73519985e-27]
 [ 1.25278807e-09 -1.25278807e-09 -1.73519184e-27]
 [ 1.25278807e-09  1.25278807e-09  1.73518821e-27]
 [-1.25278807e-09 -1.25278807e-09 -1.73519184e-27]
 [-1.25278807e-09  1.25278807e-09  1.73515979e-27]
 [ 1.25278807e-09 -1.25278807e-09 -1.73519384e-27]]
stress =  [ 1.83198271e-10  1.83198271e-10 -3.09920880e-10 -9.56397634e-26
 -2.70254038e-34 -9.00126765e-50]
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