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_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
==== 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 16:06:01      -18.383905         0.246247
BFGS:    1 16:06:01      -18.386318         0.210349
BFGS:    2 16:06:01      -18.393332         0.017373
BFGS:    3 16:06:01      -18.393381         0.000262
BFGS:    4 16:06:01      -18.393381         0.000000
BFGS:    5 16:06:01      -18.393381         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2645514840725127e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.75359534e-49 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([[3.567653228469406, 9.216383123341666e-33, 7.32594988917887e-33], [-4.6091187890947276e-33, 3.567653228469406, -1.6985979475197916e-19], [2.794776615168362e-32, -1.6985979475198366e-19, 3.567653228469406]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.26455148e-12 -1.26455148e-12 -1.26455148e-12  6.87437369e-29
  1.61400152e-34  4.74410432e-50]
energy per atom =  -4.598345335317835
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0