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_PunMishin_2009_NiAl__MO_751354403791_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 12:43:57      -18.522285         0.155543
BFGS:    1 12:43:58      -18.523046         0.135759
BFGS:    2 12:43:58      -18.525298         0.033298
BFGS:    3 12:43:58      -18.525316         0.032558
BFGS:    4 12:43:58      -18.525869         0.016112
BFGS:    5 12:43:58      -18.525911         0.001446
BFGS:    6 12:43:58      -18.525912         0.000170
BFGS:    7 12:43:58      -18.525912         0.000016
BFGS:    8 12:43:58      -18.525912         0.000001
BFGS:    9 12:43:58      -18.525912         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.124903702024029e-10 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 1.70343677e-36]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.70343677e-36 5.00000000e-01]]
cellpar =  Cell([[3.53316963231, -1.049863937566505e-36, 2.205016149768692e-40], [2.0612645007722593e-36, 3.533169632309999, 9.369149824477101e-20], [-1.0125282294533463e-37, 9.38162356670385e-20, 3.5331696399251564]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.52808775e-10 -2.52808775e-10  7.12490370e-10  1.66789840e-27
 -4.93698133e-34  1.97672796e-51]
energy per atom =  -4.614568130732775
===============================================
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.