element(s):
['Nb']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2522']
model name:
EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2522, 0, 0], [0, 4.2522, 0], [0, 0, 4.2522]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:06:45      -28.882335        0.9986
BFGS:    1 17:06:45      -28.922245        0.8655
BFGS:    2 17:06:45      -29.015042        0.3607
BFGS:    3 17:06:45      -29.032453        0.0415
BFGS:    4 17:06:45      -29.032672        0.0016
BFGS:    5 17:06:45      -29.032672        0.0001
BFGS:    6 17:06:45      -29.032672        0.0000
BFGS:    7 17:06:45      -29.032672        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.139312182472402e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.16029036e-35]]
cellpar =  Cell([[4.149672367072116, -3.2196096786272055e-33, -2.480815094041374e-34], [-1.8784249549952674e-33, 4.149672367072116, -8.649073563938469e-19], [1.577805083081998e-33, -8.649073563938501e-19, 4.149672367072116]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.13931218e-13  9.13931218e-13  9.13931218e-13 -4.58884228e-29
  4.66016857e-37  7.60539470e-55]
energy per atom =  -7.258167966171107
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0