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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 11:10:46      -95.292539        91.636967
BFGS:    1 11:10:46     -107.006001        65.495778
BFGS:    2 11:10:46     -115.200264        44.532048
BFGS:    3 11:10:46     -120.586784        27.882249
BFGS:    4 11:10:46     -123.729432        14.533397
BFGS:    5 11:10:46     -125.085970         3.971801
BFGS:    6 11:10:46     -125.213794         0.611471
BFGS:    7 11:10:46     -125.217091         0.032489
BFGS:    8 11:10:46     -125.217100         0.000287
BFGS:    9 11:10:46     -125.217100         0.000000
BFGS:   10 11:10:46     -125.217100         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.298721175568162e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Nb', 'Nb', 'Nb']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.428361548606798, 4.637743302912021e-33, -2.062073524262544e-32], [7.940456588185128e-33, 4.428361548606798, 4.3125160326294655e-18], [-1.4507930744582674e-32, 4.31251603262948e-18, 4.428361548606798]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.29872118e-14 -3.29872118e-14 -3.29872118e-14  7.71633757e-30
 -2.22608632e-34  2.66871273e-50]
energy per atom =  -31.304274987855262
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0