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 14:44:28      -18.438872        3.0093
BFGS:    1 14:44:28      -18.822007        2.9285
BFGS:    2 14:44:28      -19.252514        2.8061
BFGS:    3 14:44:28      -19.662117        2.6491
BFGS:    4 14:44:28      -20.045252        2.4524
BFGS:    5 14:44:28      -20.395580        2.2107
BFGS:    6 14:44:28      -20.705896        1.9178
BFGS:    7 14:44:28      -20.968025        1.5670
BFGS:    8 14:44:28      -21.172704        1.1505
BFGS:    9 14:44:28      -21.309459        0.6598
BFGS:   10 14:44:28      -21.366458        0.0854
BFGS:   11 14:44:28      -21.367328        0.0078
BFGS:   12 14:44:28      -21.367335        0.0001
BFGS:   13 14:44:28      -21.367335        0.0000
BFGS:   14 14:44:28      -21.367335        0.0000
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