element(s):
['Fe', 'Nb']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.146']
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.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[4.146, 0, 0], [0, 4.146, 0], [0, 0, 4.146]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:51:45      -18.438872         3.009329
BFGS:    1 19:51:45      -18.822007         2.928534
BFGS:    2 19:51:45      -19.252514         2.806149
BFGS:    3 19:51:45      -19.662117         2.649054
BFGS:    4 19:51:45      -20.045252         2.452380
BFGS:    5 19:51:45      -20.395580         2.210670
BFGS:    6 19:51:45      -20.705896         1.917810
BFGS:    7 19:51:45      -20.968025         1.566960
BFGS:    8 19:51:45      -21.172704         1.150470
BFGS:    9 19:51:45      -21.309459         0.659796
BFGS:   10 19:51:45      -21.366458         0.085398
BFGS:   11 19:51:45      -21.367328         0.007785
BFGS:   12 19:51:45      -21.367335         0.000081
BFGS:   13 19:51:45      -21.367335         0.000000
BFGS:   14 19:51:45      -21.367335         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.3375166684120695e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.54396554e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.49375010e-34]]
cellpar =  Cell([[3.6279474596154535, 1.517751351934799e-32, -3.087842968373671e-33], [4.4727172975632415e-32, 3.6279474596154535, -2.7859057797155646e-17], [-1.2695268801995787e-33, -2.7859057797155677e-17, 3.6279474596154535]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.33751667e-14 -5.33751667e-14 -5.33751667e-14 -7.50115261e-31
 -3.06089925e-62 -1.03458781e-63]
energy per atom =  -5.341833748986983
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0