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_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_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 10:57:38       -8.793693         0.953358
BFGS:    1 10:57:38       -8.818041         0.806630
BFGS:    2 10:57:38       -8.866560         0.336258
BFGS:    3 10:57:38       -8.869447         0.348879
BFGS:    4 10:57:38       -8.871908         0.265571
BFGS:    5 10:57:38       -8.874673         0.053422
BFGS:    6 10:57:38       -8.874869         0.007931
BFGS:    7 10:57:39       -8.874872         0.000907
BFGS:    8 10:57:39       -8.874872         0.000052
BFGS:    9 10:57:39       -8.874872         0.000000
BFGS:   10 10:57:39       -8.874872         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.0375497538021495e-32 eV/Angstrom
Maximum stress component: 1.7307449998520393e-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([[2.479585121666089, 1.1702772716853319e-17, -1.4979416820377945e-37], [-1.2397925608330445, 2.14738370620876, -3.7030990799620454e-37], [2.9189721927422092e-36, 4.875090543113346e-36, 4.178569153209398]])
forces =  [[-1.01877488e-32  8.82284924e-33 -1.21374806e-69]
 [ 2.03754975e-32 -8.82284924e-33  5.98296170e-70]]
stress =  [-1.73074500e-10 -1.73074500e-10 -3.45661914e-11  5.66887660e-46
  2.47723981e-46 -1.51694440e-26]
energy per atom =  -4.4374361484909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0