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 15:45:21      -42.447391        0.8932
BFGS:    1 15:45:21      -42.496812        0.8384
BFGS:    2 15:45:21      -42.629980        0.6251
BFGS:    3 15:45:21      -42.674949        0.4200
BFGS:    4 15:45:21      -42.679470        0.3743
BFGS:    5 15:45:21      -42.699150        0.1778
BFGS:    6 15:45:21      -42.711262        0.1402
BFGS:    7 15:45:21      -42.713584        0.1083
BFGS:    8 15:45:21      -42.714184        0.0902
BFGS:    9 15:45:21      -42.715265        0.0548
BFGS:   10 15:45:21      -42.715796        0.0266
BFGS:   11 15:45:21      -42.715980        0.0079
BFGS:   12 15:45:21      -42.715996        0.0015
BFGS:   13 15:45:21      -42.715997        0.0002
BFGS:   14 15:45:21      -42.715997        0.0000
BFGS:   15 15:45:21      -42.715997        0.0000
BFGS:   16 15:45:21      -42.715997        0.0000
BFGS:   17 15:45:21      -42.715997        0.0000
Minimization converged after 17 steps.
Maximum force component: 2.208553088027316e-09 eV/Angstrom
Maximum stress component: 2.805136636297535e-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([[5.202619744061695, 8.44489117219917e-18, -9.300822696906862e-37], [-2.6013098720308476, 4.505600864587919, 4.37196871035801e-37], [4.18342045887559e-36, 8.959032795406786e-36, 4.4214947539392995]])
forces =  [[-1.98921677e-25 -2.20855309e-09  1.36486867e-47]
 [ 1.91266308e-09  1.10427654e-09 -3.48754776e-46]
 [-1.91266308e-09  1.10427654e-09  3.35106089e-46]
 [-7.87347618e-27  2.20855309e-09 -1.36486867e-47]
 [-1.91266308e-09 -1.10427654e-09  3.48754776e-46]
 [ 1.91266308e-09 -1.10427654e-09 -3.35106089e-46]
 [ 1.28254479e-31 -7.40477578e-32 -2.24706888e-68]
 [-1.28254479e-31  7.40477578e-32  2.24706888e-68]]
stress =  [ 1.00855571e-10  1.00855571e-10  2.80513664e-10  5.15605312e-35
  8.93054597e-35 -7.82419327e-26]
energy per atom =  -5.339499616637443
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0