element(s):
['H', 'Ni']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.664']
model name:
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[3.664, 0, 0], [0, 3.664, 0], [0, 0, 3.664]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:10:46      -27.501545         0.606516
BFGS:    1 12:10:46      -27.516822         0.569044
BFGS:    2 12:10:46      -27.586698         0.366462
BFGS:    3 12:10:46      -27.627877         0.186178
BFGS:    4 12:10:47      -27.643567         0.026167
BFGS:    5 12:10:47      -27.643908         0.001719
BFGS:    6 12:10:47      -27.643910         0.000017
BFGS:    7 12:10:47      -27.643910         0.000000
BFGS:    8 12:10:47      -27.643910         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2017028669755233e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.82915385e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.7406791485183932, -7.834682766134431e-33, -3.5837005963892716e-34], [-8.866360253426858e-33, 3.7406791485183932, 1.9167012584183247e-18], [1.4843496856618968e-32, 1.916701258418315e-18, 3.7406791485183932]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.20170287e-14 -1.20170287e-14 -1.20170287e-14  5.34629996e-30
 -1.28462493e-34  2.99787120e-50]
energy per atom =  -3.455488694148108
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0