element(s):
['Fe', 'Nb']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0158']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Nb']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0158, 0, 0], [0, 4.0158, 0], [0, 0, 4.0158]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:32:18      -26.519737         0.047741
BFGS:    1 10:32:18      -26.519826         0.038882
BFGS:    2 10:32:18      -26.520000         0.000181
BFGS:    3 10:32:18      -26.520000         0.000001
BFGS:    4 10:32:18      -26.520000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.411043408618662e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Nb']
basis =  [[1.7054004e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 0.0000000e+00]]
cellpar =  Cell([[4.012123870999137, -6.692668623751518e-33, -1.1330580813952859e-33], [-9.216556958241106e-33, 4.012123870999137, 1.5468848215400706e-21], [-2.8602267693238062e-33, 1.5468848215418334e-21, 4.012123870999137]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.41104341e-13  7.41104341e-13  7.41104341e-13 -7.83051049e-29
 -1.19644247e-35  6.22881278e-52]
energy per atom =  -6.630000000126943
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0