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_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== 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 17:09:25      -17.795803        0.1625
BFGS:    1 17:09:25      -17.796857        0.1403
BFGS:    2 17:09:25      -17.799998        0.0030
BFGS:    3 17:09:25      -17.800000        0.0001
BFGS:    4 17:09:25      -17.800000        0.0000
BFGS:    5 17:09:25      -17.800000        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.0215724952364133e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.67157804e-38 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5200000451417086, 3.501691780845066e-33, -3.925903715604699e-33], [3.50169076549024e-33, 3.5200000451417086, -1.2301841573336468e-21], [1.152370998762542e-33, -1.2301841573377321e-21, 3.5200000451417086]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.02157250e-14 -2.02157250e-14 -2.02157250e-14  1.62568089e-30
 -7.25373906e-35 -5.36976835e-51]
energy per atom =  -4.449999985713829
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0