element(s):
['Al', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.8655']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.8655, 0, 0], [0, 2.8655, 0], [0, 0, 2.8655]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:05:03       -9.059671         0.144047
BFGS:    1 20:05:03       -9.060444         0.106673
BFGS:    2 20:05:03       -9.061400         0.002300
BFGS:    3 20:05:03       -9.061400         0.000038
BFGS:    4 20:05:03       -9.061400         0.000000
BFGS:    5 20:05:03       -9.061400         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.762928382048392e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8770518656121142, -5.877995378034613e-33, -2.844079998814757e-34], [-6.982146755113231e-36, 2.8770518656121142, -8.768455768043291e-20], [1.9865482040081623e-34, -8.768455768043272e-20, 2.8770518656121142]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.76292838e-15 -6.76292838e-15 -6.76292838e-15 -2.12055172e-33
 -4.65345050e-35  1.22177703e-52]
energy per atom =  -4.530699993760909
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0