element(s):
['Nb', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6143', '2.0595689']
model name:
EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Nb', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6143, 0, 0], [0, 3.6143, 0], [0, 0, 7.4439]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:45:28      -43.798037         0.150503
BFGS:    1 11:45:28      -43.798477         0.149176
BFGS:    2 11:45:28      -43.807891         0.118039
BFGS:    3 11:45:28      -43.815712         0.085860
BFGS:    4 11:45:28      -43.821978         0.064386
BFGS:    5 11:45:28      -43.826730         0.067143
BFGS:    6 11:45:28      -43.830024         0.070304
BFGS:    7 11:45:28      -43.831953         0.072566
BFGS:    8 11:45:29      -43.832685         0.070295
BFGS:    9 11:45:29      -43.832961         0.064830
BFGS:   10 11:45:29      -43.833684         0.040204
BFGS:   11 11:45:29      -43.833944         0.014756
BFGS:   12 11:45:29      -43.834002         0.001550
BFGS:   13 11:45:29      -43.834006         0.000498
BFGS:   14 11:45:29      -43.834006         0.000062
BFGS:   15 11:45:29      -43.834006         0.000003
BFGS:   16 11:45:29      -43.834006         0.000000
BFGS:   17 11:45:29      -43.834006         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.1509512865032856e-31 eV/Angstrom
Maximum stress component: 4.105608951213944e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Nb', 'Nb', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.85121361e-49 5.00227496e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.40741243e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.50113748e-33 2.50000000e-01]
 [2.40741243e-35 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.6961037958766387, -3.5384283393156202e-37, -1.3770411808179588e-32], [-3.588338090315975e-38, 3.696103795876638, 4.696624858768856e-17], [3.503503957100988e-33, 9.642610478053756e-17, 7.11438184433051]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.27789983e-32  4.55579967e-32 -7.67300858e-32]
 [ 2.27789983e-32 -2.27789983e-32 -2.19228816e-32]
 [ 1.13894992e-32 -6.83369950e-32  1.15095129e-31]
 [ 1.13894992e-32  6.83369950e-32  3.56246827e-32]]
stress =  [-4.10560895e-11 -4.10560895e-11 -1.80926138e-11 -6.02266569e-27
 -1.27923265e-44 -5.68096863e-60]
energy per atom =  -5.479250770878377
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0