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 16:28:48      -28.882335         0.998554
BFGS:    1 16:28:48      -28.922245         0.865472
BFGS:    2 16:28:48      -29.015042         0.360695
BFGS:    3 16:28:48      -29.032453         0.041484
BFGS:    4 16:28:48      -29.032672         0.001568
BFGS:    5 16:28:48      -29.032672         0.000051
BFGS:    6 16:28:48      -29.032672         0.000000
BFGS:    7 16:28:48      -29.032672         0.000000
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]
 [8.24435889e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.32058073e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.149672367072116, -2.1057966552092235e-33, -5.908104462664759e-34], [-3.734943948704471e-33, 4.149672367072116, -8.653857024225835e-19], [1.0067956540288802e-33, -8.653857024225858e-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 -4.34541584e-30
 -4.66016857e-37 -1.08403743e-53]
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