element(s):
['Co', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6559']
model name:
EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.6559, 0, 0], [0, 3.6559, 0], [0, 0, 3.6559]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:40:53      -17.642467         0.518853
BFGS:    1 12:40:53      -17.652850         0.415128
BFGS:    2 12:40:53      -17.671522         0.005672
BFGS:    3 12:40:53      -17.671525         0.000040
BFGS:    4 12:40:53      -17.671525         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.855646463680312e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Co', 'Co', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.07359624e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.07359624e-17]
 [0.00000000e+00 6.07359624e-17 6.07359624e-17]]
cellpar =  Cell([[3.6216341477809952, 1.2609870709493204e-32, -1.7259015101131708e-33], [7.266772157052912e-33, 3.6216341477809952, -6.194399572497718e-18], [-1.808867405484789e-32, -6.194399572497688e-18, 3.6216341477809952]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.85564646e-10  4.85564646e-10  4.85564646e-10  1.04686581e-25
 -3.91561574e-35  1.05134025e-51]
energy per atom =  -4.417881366384401
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0