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_001
==== 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 16:17:40       -7.031870         2.646099
BFGS:    1 16:17:40       -7.328371         2.574963
BFGS:    2 16:17:40       -7.703012         2.395825
BFGS:    3 16:17:40       -8.041171         2.088588
BFGS:    4 16:17:40       -8.321130         1.611873
BFGS:    5 16:17:40       -8.513603         0.912058
BFGS:    6 16:17:40       -8.580215         0.079027
BFGS:    7 16:17:40       -8.580610         0.012586
BFGS:    8 16:17:40       -8.580620         0.000140
BFGS:    9 16:17:40       -8.580620         0.000000
BFGS:   10 16:17:40       -8.580620         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.646381472447047e-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, 1.1791139182295197e-32, -1.4027452594229486e-32], [3.983656764651516e-33, 2.8636464704795435, 1.7052353277708607e-18], [6.454387659922457e-33, 1.7052353277708406e-18, 2.863646470479544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.64638147e-13  3.64638147e-13  3.64638147e-13 -6.46225248e-29
 -1.25256540e-34  3.68348961e-50]
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