element(s):
['Ni']
AFLOW prototype label:
A_hP2_194_c
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:
['2.582', '1.5943455']
model name:
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.582, 0, 0], [-1.291, 2.2360775925714, 0], [0, 0, 4.1166]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:44       -8.799941         1.008668
BFGS:    1 15:04:44       -8.829918         0.824075
BFGS:    2 15:04:44       -8.878389         0.184273
BFGS:    3 15:04:44       -8.879166         0.191839
BFGS:    4 15:04:44       -8.880609         0.154563
BFGS:    5 15:04:44       -8.881757         0.062760
BFGS:    6 15:04:44       -8.881975         0.015049
BFGS:    7 15:04:44       -8.882002         0.001697
BFGS:    8 15:04:44       -8.882002         0.000011
BFGS:    9 15:04:44       -8.882002         0.000000
BFGS:   10 15:04:44       -8.882002         0.000000
Minimization converged after 10 steps.
Maximum force component: 6.753946855064095e-32 eV/Angstrom
Maximum stress component: 4.256537866959928e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.4855469276550344, 2.4026562780996034e-17, -1.6532830690320777e-37], [-1.2427734638275172, 2.152546781647623, 1.1640926578476197e-36], [-1.68046390042896e-36, 3.038227631259537e-36, 4.10958949667115]])
forces =  [[-2.04244875e-32  1.76881250e-32 -6.75394686e-32]
 [ 2.04244875e-32 -1.76881250e-32  6.75394686e-32]]
stress =  [ 1.58673464e-13  1.58673464e-13 -4.25653787e-11 -6.11909152e-46
 -2.22105154e-46  1.38111469e-29]
energy per atom =  -4.4045487950247555
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0