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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 10:32:07      -62.881631         3.490324
BFGS:    1 10:32:07      -63.081067         1.037689
BFGS:    2 10:32:07      -63.096725         0.112617
BFGS:    3 10:32:07      -63.096919         0.003045
BFGS:    4 10:32:07      -63.096919         0.000009
BFGS:    5 10:32:07      -63.096919         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.812985180446625e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Nb']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.46057865e-38]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.9760590348161298, -2.1394332998194505e-33, -1.1141717596570951e-33], [-1.4009349586077294e-33, 3.9760590348161298, -3.891155036807129e-21], [-2.4294006127240467e-35, -3.891155036807641e-21, 3.9760590348161298]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.81298518e-11  4.81298518e-11  4.81298518e-11 -7.88416117e-29
  2.99113098e-61  2.21323830e-60]
energy per atom =  -15.774229742291991
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0