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 15:22:32      -17.795803         0.162516
BFGS:    1 15:22:32      -17.796857         0.140341
BFGS:    2 15:22:32      -17.799998         0.003049
BFGS:    3 15:22:32      -17.800000         0.000059
BFGS:    4 15:22:32      -17.800000         0.000000
BFGS:    5 15:22:32      -17.800000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.672213828215014e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.5200000560964884, -2.4018750439302283e-33, 2.3757195005688406e-33], [-4.6437362211719415e-34, 3.5200000560964884, 4.650693344281938e-22], [-3.1826691432906892e-34, 4.650693344304089e-22, 3.5200000560964884]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.67221383e-14 -1.67221383e-14 -1.67221383e-14  3.50567926e-30
 -6.00201915e-64  5.02528727e-64]
energy per atom =  -4.42745354907068
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0