element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
model name:
EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:59:38      -10.046018       11.3928
BFGS:    1 13:59:38      -11.543353        8.6560
BFGS:    2 13:59:38      -12.665313        6.3688
BFGS:    3 13:59:38      -13.469770        4.4039
BFGS:    4 13:59:38      -14.000809        2.7199
BFGS:    5 13:59:38      -14.298024        1.2786
BFGS:    6 13:59:38      -14.393044        0.2239
BFGS:    7 13:59:38      -14.397310        0.0809
BFGS:    8 13:59:38      -14.398009        0.0073
BFGS:    9 13:59:38      -14.398015        0.0003
BFGS:   10 13:59:38      -14.398015        0.0000
BFGS:   11 13:59:38      -14.398015        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2513236148593366e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', '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 8.06884223e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.818996358653966, -8.001633182325786e-33, 1.4364222273797328e-32], [-6.076806940120925e-33, 3.818996358653966, 1.433098159057357e-17], [-1.6634037325220135e-32, 1.4330981590573583e-17, 3.818996358653966]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.25132361e-10  1.25132361e-10  1.25132361e-10 -8.17630430e-27
 -7.96708255e-34 -3.58314579e-50]
energy per atom =  -0.8995099553867871
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0