element(s):
['C', 'Nb']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8303']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.8303, 0, 0], [0, 4.8303, 0], [0, 0, 4.8303]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:34:44      -45.009029        4.6282
BFGS:    1 09:34:44      -45.693348        4.4935
BFGS:    2 09:34:44      -46.356289        4.3430
BFGS:    3 09:34:44      -46.995410        4.1757
BFGS:    4 09:34:44      -47.608093        3.9903
BFGS:    5 09:34:44      -48.191528        3.7855
BFGS:    6 09:34:44      -48.742709        3.5600
BFGS:    7 09:34:44      -49.258416        3.3123
BFGS:    8 09:34:44      -49.735217        3.0411
BFGS:    9 09:34:44      -50.169453        2.7443
BFGS:   10 09:34:44      -50.557154        2.4204
BFGS:   11 09:34:44      -50.894146        2.0679
BFGS:   12 09:34:44      -51.175977        1.6846
BFGS:   13 09:34:44      -51.397894        1.2687
BFGS:   14 09:34:44      -51.554838        0.8179
BFGS:   15 09:34:44      -51.641423        0.3302
BFGS:   16 09:34:44      -51.657214        0.0222
BFGS:   17 09:34:44      -51.657284        0.0005
BFGS:   18 09:34:44      -51.657284        0.0000
BFGS:   19 09:34:44      -51.657284        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.2086987276275493e-30 eV/Angstrom
Maximum stress component: 3.0309045127992153e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[4.19291934e-37 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.07042274e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.358279587760811, -1.6259597702204326e-33, -1.718279175802892e-32], [-3.394011843649914e-33, 4.358279587760811, 7.248673450165588e-18], [-5.369099769405172e-33, 7.248673450165577e-18, 4.358279587760811]])
forces =  [[-2.68599717e-32 -3.58132956e-32 -3.58132956e-32]
 [-3.58132956e-32 -3.35749647e-32 -3.35749647e-32]
 [-3.58132956e-32 -3.58132956e-32 -3.13366337e-32]
 [-3.58132956e-32 -3.13366337e-32 -3.58132956e-32]
 [ 1.43253183e-31  2.50693069e-31 -6.78214286e-31]
 [-1.88019802e-31 -8.55042433e-31 -1.20869873e-30]
 [-2.23833098e-33  7.16265913e-32  9.66958982e-31]
 [-4.65572843e-31 -9.84865630e-31  1.07439887e-31]]
stress =  [-3.03090451e-12 -3.03090451e-12 -3.03090451e-12 -9.57551781e-28
  2.16306231e-34  3.19102399e-50]
energy per atom =  -6.457160452105852
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0