element(s):
['Nb']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.3383']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.3383, 0, 0], [0, 3.3383, 0], [0, 0, 3.3383]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:06:23       -7.031870         2.646099
BFGS:    1 17:06:23       -7.328371         2.574963
BFGS:    2 17:06:24       -7.703012         2.395825
BFGS:    3 17:06:24       -8.041171         2.088588
BFGS:    4 17:06:24       -8.321130         1.611873
BFGS:    5 17:06:24       -8.513603         0.912058
BFGS:    6 17:06:24       -8.580215         0.079027
BFGS:    7 17:06:24       -8.580610         0.012586
BFGS:    8 17:06:24       -8.580620         0.000140
BFGS:    9 17:06:24       -8.580620         0.000000
BFGS:   10 17:06:24       -8.580620         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.6463814724470484e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.863646470479544, 1.3224816231210805e-32, -1.467290434287816e-32], [5.95578232151458e-33, 2.8636464704795435, 1.701243228220378e-18], [1.9591351389980483e-32, 1.7012432282203463e-18, 2.863646470479544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.64638147e-13  3.64638147e-13  3.64638147e-13  2.99191926e-29
 -9.39424050e-35 -4.78550222e-51]
energy per atom =  -4.290309993796261
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0