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_PunYamakovMishin_2013_NiAlCo__MO_826591359508_000
==== 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 10:07:23      -13.438917         0.066183
BFGS:    1 10:07:23      -13.439096         0.060464
BFGS:    2 10:07:23      -13.440000         0.000294
BFGS:    3 10:07:23      -13.440000         0.000001
BFGS:    4 10:07:23      -13.440000         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.490334980963855e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [3.3789024e-49 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[4.050000181872888, 1.6759281496289352e-32, 4.301738882931486e-34], [1.627172463226669e-32, 4.050000181872888, 2.241281499104981e-18], [2.1177406611321317e-34, 2.2412814991049806e-18, 4.050000181872888]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-8.49033498e-13 -8.49033498e-13 -8.49033498e-13 -4.91871838e-30
 -7.33855270e-37  6.67924153e-55]
energy per atom =  -3.3599999884847187
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0