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_Mishin_2004_NiAl__MO_101214310689_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 14:04:59       -8.767204         1.047316
BFGS:    1 14:04:59       -8.798036         0.871085
BFGS:    2 14:04:59       -8.852964         0.156697
BFGS:    3 14:04:59       -8.854393         0.149356
BFGS:    4 14:04:59       -8.854704         0.128950
BFGS:    5 14:04:59       -8.855736         0.002221
BFGS:    6 14:04:59       -8.855737         0.000034
BFGS:    7 14:04:59       -8.855737         0.000001
BFGS:    8 14:04:59       -8.855737         0.000000
BFGS:    9 14:04:59       -8.855737         0.000000
Minimization converged after 9 steps.
Maximum force component: 1.5295818787055972e-32 eV/Angstrom
Maximum stress component: 1.0878685712197539e-10 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([[2.4818884948983975, 2.7408741314698516e-17, -2.0658441149917085e-36], [-1.2409442474491987, 2.1493784859423366, -4.883652880039773e-36], [-3.127848553269756e-35, -1.4897276080226895e-34, 4.104808992501339]])
forces =  [[-1.52958188e-32  8.83104509e-33 -1.15773915e-68]
 [ 1.52958188e-32 -8.83104509e-33  1.15773915e-68]]
stress =  [ 6.55602178e-11  6.55602178e-11  1.08786857e-10  3.72548948e-33
  2.07219443e-46 -1.69658478e-26]
energy per atom =  -4.405318621053205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0