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 09:17:52      -43.798037        0.1505
BFGS:    1 09:17:52      -43.798477        0.1492
BFGS:    2 09:17:52      -43.807891        0.1180
BFGS:    3 09:17:52      -43.815712        0.0859
BFGS:    4 09:17:52      -43.821978        0.0644
BFGS:    5 09:17:52      -43.826730        0.0671
BFGS:    6 09:17:52      -43.830024        0.0703
BFGS:    7 09:17:52      -43.831953        0.0726
BFGS:    8 09:17:52      -43.832685        0.0703
BFGS:    9 09:17:52      -43.832961        0.0648
BFGS:   10 09:17:52      -43.833684        0.0402
BFGS:   11 09:17:52      -43.833944        0.0148
BFGS:   12 09:17:52      -43.834002        0.0016
BFGS:   13 09:17:52      -43.834006        0.0005
BFGS:   14 09:17:52      -43.834006        0.0001
BFGS:   15 09:17:52      -43.834006        0.0000
BFGS:   16 09:17:52      -43.834006        0.0000
BFGS:   17 09:17:52      -43.834006        0.0000
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