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 13:20:16      -18.438872         3.009329
BFGS:    1 13:20:16      -18.822007         2.928534
BFGS:    2 13:20:16      -19.252514         2.806149
BFGS:    3 13:20:17      -19.662117         2.649054
BFGS:    4 13:20:17      -20.045252         2.452380
BFGS:    5 13:20:17      -20.395580         2.210670
BFGS:    6 13:20:17      -20.705896         1.917810
BFGS:    7 13:20:17      -20.968025         1.566960
BFGS:    8 13:20:17      -21.172704         1.150470
BFGS:    9 13:20:17      -21.309459         0.659796
BFGS:   10 13:20:17      -21.366458         0.085398
BFGS:   11 13:20:17      -21.367328         0.007785
BFGS:   12 13:20:17      -21.367335         0.000081
BFGS:   13 13:20:17      -21.367335         0.000000
BFGS:   14 13:20:17      -21.367335         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.2356806587665236e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Nb', 'Nb', 'Nb']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.14918105e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.12343753e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.12343753e-34]]
cellpar =  Cell([[3.6279474596154544, 1.118969148680334e-32, 7.42101075905745e-33], [1.9075603239081933e-32, 3.6279474596154544, -8.201420442820752e-18], [1.3829909513736657e-32, -8.201420442820755e-18, 3.6279474596154544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.23568066e-14 -5.23568066e-14 -5.23568066e-14  4.41618829e-30
 -1.17059993e-34 -6.77907511e-51]
energy per atom =  -5.341833748986985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0