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:
MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_001
==== 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 17:11:47      -18.443198         0.284650
BFGS:    1 17:11:47      -18.446414         0.242777
BFGS:    2 17:11:47      -18.455236         0.009279
BFGS:    3 17:11:47      -18.455250         0.000320
BFGS:    4 17:11:47      -18.455250         0.000000
BFGS:    5 17:11:48      -18.455250         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9119431041987815e-12 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 6.74353485e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5699562398805833, 6.905991792639108e-33, 1.132558920696982e-33], [-6.905409227829006e-33, 3.5699562398805833, -1.6504595156393228e-19], [4.388552382364233e-33, -1.650459515639242e-19, 3.5699562398805833]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.91194310e-12 -1.91194310e-12 -1.91194310e-12  4.24623419e-28
 -9.67151867e-34  2.14787451e-49]
energy per atom =  -4.613812444546677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0