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 15:45:07      -62.881631        3.4903
BFGS:    1 15:45:07      -63.081067        1.0377
BFGS:    2 15:45:07      -63.096725        0.1126
BFGS:    3 15:45:07      -63.096919        0.0030
BFGS:    4 15:45:07      -63.096919        0.0000
BFGS:    5 15:45:07      -63.096919        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.811835941550166e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Nb']
basis =  [[0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]
 [0.  0.  0. ]]
cellpar =  Cell([[3.976059034816128, -2.785306039540956e-33, -4.833191964657886e-34], [-2.434294193677071e-33, 3.976059034816128, -3.9000323571438425e-21], [-1.4931646660466282e-33, -3.900032357143839e-21, 3.976059034816128]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.81183594e-11  4.81183594e-11  4.81183594e-11  9.11171035e-28
  7.79677159e-34 -6.90954427e-50]
energy per atom =  -15.774229742291975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0