element(s):
['Al']
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:
['4.039']
model name:
EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.039, 0, 0], [0, 4.039, 0], [0, 0, 4.039]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:11:28      -13.438917         0.066183
BFGS:    1 11:11:28      -13.439096         0.060463
BFGS:    2 11:11:28      -13.440000         0.000288
BFGS:    3 11:11:29      -13.440000         0.000001
BFGS:    4 11:11:29      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1646208324931079e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.44725636e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.05000000316945, -1.7753419524828368e-33, 6.704103958022312e-34], [5.2270915630815035e-33, 4.05000000316945, -2.2374383378845486e-18], [-9.762173448904107e-34, -2.2374383378845475e-18, 4.05000000316945]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.16462083e-12 -1.16462083e-12 -1.16462083e-12  8.21145698e-29
 -3.91389512e-36  2.23141035e-52]
energy per atom =  -3.3599999878068725
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0