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_Mishin_2004_NiAl__MO_101214310689_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         0.003051
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: 2.1748413567197514e-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([[3.520000030653131, -1.793782794261537e-32, 1.8851205138509226e-32], [-1.8084374426705253e-32, 3.520000030653131, -8.467400492055186e-20], [5.855704047736097e-34, -8.467400492053218e-20, 3.520000030653131]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.17484136e-14 -2.17484136e-14 -2.17484136e-14 -6.44327409e-30
 -2.59062111e-36 -2.88400241e-52]
energy per atom =  -4.427450335016509
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0