element(s):
['C', 'Nb']
AFLOW prototype label:
A3B4_cP7_221_d_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.4694']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb', 'Nb']
representative atom coordinates =  [[0.5 0.  0. ]
 [0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.4694, 0, 0], [0, 4.4694, 0], [0, 0, 4.4694]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:07:03      -31.563161        3.1972
BFGS:    1 16:07:03      -31.993342        3.0789
BFGS:    2 16:07:03      -32.444259        2.9297
BFGS:    3 16:07:03      -32.871137        2.7580
BFGS:    4 16:07:03      -33.270427        2.5615
BFGS:    5 16:07:03      -33.638227        2.3378
BFGS:    6 16:07:03      -33.970264        2.0842
BFGS:    7 16:07:03      -34.261868        1.7982
BFGS:    8 16:07:03      -34.507941        1.4767
BFGS:    9 16:07:03      -34.702940        1.1166
BFGS:   10 16:07:03      -34.840835        0.7147
BFGS:   11 16:07:03      -34.915090        0.2675
BFGS:   12 16:07:03      -34.926178        0.0233
BFGS:   13 16:07:03      -34.926259        0.0007
BFGS:   14 16:07:03      -34.926259        0.0000
BFGS:   15 16:07:03      -34.926259        0.0000
Minimization converged after 15 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.985305337669375e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[5.00000000e-01 6.66988040e-49 0.00000000e+00]
 [6.66988040e-49 5.00000000e-01 0.00000000e+00]
 [6.66988040e-49 0.00000000e+00 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.16722907e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.87740443e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.103388515806483, -7.48475942314114e-33, -8.852765461616996e-33], [-5.578876079071372e-33, 4.103388515806483, 7.23694891622779e-18], [1.4013102726254052e-32, 7.23694891622778e-18, 4.103388515806483]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.98530534e-12 -9.98530534e-12 -9.98530534e-12  2.02869551e-27
  2.44013541e-34 -3.41730098e-50]
energy per atom =  -4.989465538290314
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0