element(s):
['Fe', 'Nb']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.1865']
model name:
MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Nb']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[6.1865, 0, 0], [0, 6.1865, 0], [0, 0, 6.1865]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:24:37     -107.007866         1.544088
BFGS:    1 10:24:37     -107.107064         1.454154
BFGS:    2 10:24:38     -107.310144         1.254543
BFGS:    3 10:24:38     -107.483716         1.060710
BFGS:    4 10:24:39     -107.628639         0.872518
BFGS:    5 10:24:39     -107.745747         0.689836
BFGS:    6 10:24:40     -107.835859         0.512536
BFGS:    7 10:24:40     -107.899771         0.340490
BFGS:    8 10:24:40     -107.938262         0.173576
BFGS:    9 10:24:41     -107.952094         0.011671
BFGS:   10 10:24:41     -107.952158         0.000190
BFGS:   11 10:24:41     -107.952158         0.000000
BFGS:   12 10:24:41     -107.952158         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.2199171571838213e-30 eV/Angstrom
Maximum stress component: 2.519592028133799e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', '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 3.63891752e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.42594502e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [1.07733601e-49 5.00000000e-01 1.21297251e-34]
 [0.00000000e+00 2.42594502e-34 5.00000000e-01]]
cellpar =  Cell([[6.351108311749625, 6.331394916582417e-33, -1.4461070485075573e-32], [-7.056002771476173e-33, 6.351108311749625, -1.3432994810155519e-17], [7.225548153315617e-33, -1.3432994810155542e-17, 6.351108311749625]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.43519666e-31  9.91590417e-31 -2.73992089e-31]
 [-4.89271587e-32 -1.21991716e-30 -7.24121949e-31]
 [-1.79399582e-31  1.10901560e-30  1.56566908e-31]
 [-1.30472423e-31 -9.19830584e-31 -2.54421225e-31]
 [ 5.21889693e-32  1.06335025e-30  9.58972311e-31]
 [ 8.48070751e-32 -5.12104261e-31  2.47897604e-31]
 [-7.17598328e-32 -9.49186879e-31 -1.04377939e-31]
 [ 5.54507799e-32  5.54507799e-31 -1.27210613e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.51959203e-13 -2.51959203e-13 -2.51959203e-13  2.31890948e-28
  1.97352157e-34 -1.16659377e-49]
energy per atom =  -6.747009876627968
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0