element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6016']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6016, 0, 0], [0, 5.6016, 0], [0, 0, 5.6016]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:54:56      -72.620475        0.2439
BFGS:    1 13:54:56      -72.622980        0.2353
BFGS:    2 13:54:56      -72.649150        0.1143
BFGS:    3 13:54:56      -72.657476        0.0038
BFGS:    4 13:54:56      -72.657486        0.0001
BFGS:    5 13:54:56      -72.657486        0.0000
BFGS:    6 13:54:56      -72.657486        0.0000
Minimization converged after 6 steps.
Maximum force component: 7.817273042214322e-31 eV/Angstrom
Maximum stress component: 3.5859904699573295e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]]
cellpar =  Cell([[5.637444758249781, 2.2628911402453365e-32, 2.211433749554587e-33], [7.266781176500318e-34, 5.637444758249781, 5.628307413747632e-19], [-2.1085114617731204e-33, 5.628307413747647e-19, 5.637444758249781]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.81727304e-32  7.12240433e-31 -6.02943374e-31]
 [ 2.17146473e-31 -7.18031005e-31  1.27392598e-31]
 [-6.51439420e-32  7.52774441e-31  3.21376781e-31]
 [ 1.67926606e-31 -7.81727304e-31  5.64580831e-31]
 [-4.63245810e-32  6.94868715e-31 -4.05340084e-32]
 [-7.96203736e-33 -7.36850366e-31  5.47209113e-31]
 [ 2.60575768e-32 -6.77496997e-31 -3.23548245e-31]
 [-2.89528631e-33  5.96428980e-31 -4.19816515e-31]]
stress =  [-3.58599047e-14 -3.58599047e-14 -3.58599047e-14 -4.51383151e-32
 -6.46404857e-35  4.09795258e-53]
energy per atom =  -4.541092871273133
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0