element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
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 =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:20:38      -13.420124         2.651319
BFGS:    1 15:20:38      -13.720605         2.635878
BFGS:    2 15:20:38      -14.113470         2.598979
BFGS:    3 15:20:38      -14.499212         2.540337
BFGS:    4 15:20:38      -14.874304         2.456328
BFGS:    5 15:20:38      -15.234637         2.342833
BFGS:    6 15:20:38      -15.575447         2.195182
BFGS:    7 15:20:38      -15.891221         2.008081
BFGS:    8 15:20:38      -16.175600         1.775539
BFGS:    9 15:20:38      -16.421273         1.490783
BFGS:   10 15:20:38      -16.619844         1.146167
BFGS:   11 15:20:39      -16.761701         0.733066
BFGS:   12 15:20:39      -16.835856         0.241761
BFGS:   13 15:20:39      -16.843734         0.031995
BFGS:   14 15:20:39      -16.843867         0.001158
BFGS:   15 15:20:39      -16.843867         0.000005
BFGS:   16 15:20:39      -16.843867         0.000000
Minimization converged after 16 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.319557426625566e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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 2.13751579e-34]]
cellpar =  Cell([[3.60405280862934, 3.3871608415844763e-32, -2.6135945135731928e-33], [7.298352045797005e-33, 3.604052808629341, -3.937029553984067e-18], [-1.0827083815226592e-32, -3.9370295539840545e-18, 3.6040528086293406]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.31955743e-11 -6.31955743e-11 -6.31955743e-11 -5.72204767e-27
  6.22123237e-34  5.88567467e-50]
energy per atom =  -4.210966791642184
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0