element(s):
['Ni', 'Zr']
AFLOW prototype label:
A3B_hP8_194_h_c
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.2527', '0.81788414', '0.84340279']
model name:
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Zr']
representative atom coordinates =  [[0.84340279 0.68680558 0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.2527, 0, 0], [-2.62635, 4.5489716384585, 0], [0, 0, 4.2961]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:47      -42.447391         0.893214
BFGS:    1 16:26:47      -42.496812         0.838399
BFGS:    2 16:26:47      -42.629980         0.625098
BFGS:    3 16:26:47      -42.674949         0.419974
BFGS:    4 16:26:48      -42.679470         0.374337
BFGS:    5 16:26:48      -42.699150         0.177791
BFGS:    6 16:26:48      -42.711262         0.140232
BFGS:    7 16:26:48      -42.713584         0.108282
BFGS:    8 16:26:48      -42.714184         0.090164
BFGS:    9 16:26:48      -42.715265         0.054844
BFGS:   10 16:26:48      -42.715796         0.026592
BFGS:   11 16:26:48      -42.715980         0.007905
BFGS:   12 16:26:48      -42.715996         0.001518
BFGS:   13 16:26:48      -42.715997         0.000224
BFGS:   14 16:26:48      -42.715997         0.000017
BFGS:   15 16:26:48      -42.715997         0.000002
BFGS:   16 16:26:48      -42.715997         0.000000
BFGS:   17 16:26:48      -42.715997         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.2085588608147534e-09 eV/Angstrom
Maximum stress component: 2.8051276182207777e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Zr', 'Zr']
basis =  [[0.83545027 0.67090053 0.25      ]
 [0.32909948 0.16454975 0.25      ]
 [0.83545027 0.16454975 0.25      ]
 [0.16454974 0.32909949 0.75      ]
 [0.67090053 0.83545027 0.75      ]
 [0.16454974 0.83545027 0.75      ]
 [0.33333334 0.66666668 0.25      ]
 [0.66666667 0.33333334 0.75      ]]
cellpar =  Cell([[5.202619744061691, 8.188362497804328e-18, -1.1202303532977183e-38], [-2.6013098720308454, 4.505600864587918, -4.0681829472170816e-38], [-1.0654639637867597e-36, -3.222400051340354e-36, 4.4214947539392995]])
forces =  [[-3.84221672e-26 -2.20855886e-09 -1.45331015e-31]
 [ 1.91266808e-09  1.10427943e-09  7.26655074e-32]
 [-1.91266808e-09  1.10427943e-09  3.63327537e-32]
 [ 1.00596151e-25  2.20855886e-09  1.45331015e-31]
 [-1.91266808e-09 -1.10427943e-09 -7.26655074e-32]
 [ 1.91266808e-09 -1.10427943e-09 -1.08998261e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.00853730e-10  1.00853730e-10  2.80512762e-10  2.57802656e-35
 -1.33958190e-34 -3.76559880e-26]
energy per atom =  -5.339499616637438
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0