element(s):
['C', 'Nb']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5034']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Nb']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.5034, 0, 0], [0, 4.5034, 0], [0, 0, 4.5034]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:33:36      -38.626039         4.037275
BFGS:    1 16:33:36      -39.221677         3.901382
BFGS:    2 16:33:36      -39.795465         3.745696
BFGS:    3 16:33:37      -40.344320         3.568692
BFGS:    4 16:33:37      -40.864925         3.368748
BFGS:    5 16:33:38      -41.353711         3.144137
BFGS:    6 16:33:38      -41.806842         2.893021
BFGS:    7 16:33:39      -42.220195         2.613442
BFGS:    8 16:33:39      -42.589347         2.303317
BFGS:    9 16:33:40      -42.909552         1.960433
BFGS:   10 16:33:40      -43.175721         1.582433
BFGS:   11 16:33:40      -43.382401         1.166814
BFGS:   12 16:33:41      -43.523752         0.710914
BFGS:   13 16:33:41      -43.593520         0.211902
BFGS:   14 16:33:42      -43.599875         0.013769
BFGS:   15 16:33:42      -43.599902         0.000243
BFGS:   16 16:33:43      -43.599902         0.000000
BFGS:   17 16:33:43      -43.599902         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.579070093681325e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Nb', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 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 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 4.14556542e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 9.33498344e-35 5.00000000e-01]]
cellpar =  Cell([[4.126263227848771, 6.48009911549088e-33, -1.7839023779658144e-33], [4.9991165247376824e-33, 4.126263227848771, 3.560065373218348e-18], [1.6509283887387206e-33, 3.560065373218344e-18, 4.126263227848771]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.57907009e-13 -5.57907009e-13 -5.57907009e-13  1.52020159e-30
  2.26233348e-34 -4.57685220e-52]
energy per atom =  -5.449987693964309
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0