element(s):
['Ni']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5048']
model name:
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:32:01      -17.795803         0.162516
BFGS:    1 15:32:01      -17.796857         0.140341
BFGS:    2 15:32:01      -17.799998         0.003049
BFGS:    3 15:32:01      -17.800000         0.000059
BFGS:    4 15:32:01      -17.800000         0.000000
BFGS:    5 15:32:01      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.8481460418717025e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.64467909e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.33578901e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5200000560964866, -3.423200807208324e-33, -8.749781994837632e-34], [1.374805371423388e-34, 3.5200000560964866, 4.663512551690859e-22], [1.1350751833519787e-33, 4.6635125516807295e-22, 3.5200000560964866]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.84814604e-14 -1.84814604e-14 -1.84814604e-14  3.28192087e-31
 -5.02454478e-63 -5.62491970e-65]
energy per atom =  -4.427453549070703
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0