element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_tP4_123_a_ce
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.559', '0.98817083']
model name:
EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.  0.5 0.5]]
spacegroup =  123
cell =  [[3.559, 0, 0], [0, 3.559, 0], [0, 0, 3.5169]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:53:04      -18.382510         0.312614
BFGS:    1 15:53:04      -18.384971         0.274086
BFGS:    2 15:53:04      -18.392430         0.063438
BFGS:    3 15:53:04      -18.392554         0.040042
BFGS:    4 15:53:04      -18.392631         0.036414
BFGS:    5 15:53:04      -18.392912         0.043950
BFGS:    6 15:53:04      -18.393180         0.035821
BFGS:    7 15:53:04      -18.393347         0.014613
BFGS:    8 15:53:04      -18.393379         0.004557
BFGS:    9 15:53:04      -18.393381         0.000365
BFGS:   10 15:53:04      -18.393381         0.000023
BFGS:   11 15:53:04      -18.393381         0.000001
BFGS:   12 15:53:04      -18.393381         0.000000
BFGS:   13 15:53:04      -18.393381         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.58351196403242e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.62254944e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.5676532284821665, 3.548831026240938e-37, -2.759090465367304e-32], [3.694376724006483e-37, 3.567653228482166, 1.893974375559192e-18], [1.2113850369243738e-32, 1.866993372525475e-18, 3.567653228441797]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.33104829e-13  9.33104829e-13 -7.58351196e-12 -1.94436374e-27
 -3.63150342e-34 -4.96041222e-50]
energy per atom =  -4.598345335317844
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB3_tP4_123_a_ce, while relaxed is AB3_cP4_221_a_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.