element(s):
['Al', 'Ni']
AFLOW prototype label:
A3B2_hP5_164_ad_d
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0211', '1.2156872', '0.64900192', '0.14827124']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Al', 'Ni']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.35099808]
 [0.33333333 0.66666667 0.85172876]]
spacegroup =  164
cell =  [[4.0211, 0, 0], [-2.01055, 3.4823747511576, 0], [0, 0, 4.8884]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:13:03      -20.977674         0.877998
BFGS:    1 21:13:03      -21.015111         0.791151
BFGS:    2 21:13:03      -21.137493         0.513870
BFGS:    3 21:13:03      -21.190348         0.187242
BFGS:    4 21:13:03      -21.192702         0.117671
BFGS:    5 21:13:03      -21.194465         0.127531
BFGS:    6 21:13:03      -21.196153         0.117627
BFGS:    7 21:13:03      -21.196919         0.097223
BFGS:    8 21:13:04      -21.197645         0.087448
BFGS:    9 21:13:04      -21.198530         0.094484
BFGS:   10 21:13:04      -21.199224         0.058731
BFGS:   11 21:13:04      -21.199460         0.016408
BFGS:   12 21:13:04      -21.199494         0.006090
BFGS:   13 21:13:04      -21.199496         0.006130
BFGS:   14 21:13:04      -21.199499         0.005894
BFGS:   15 21:13:04      -21.199502         0.003732
BFGS:   16 21:13:05      -21.199503         0.001166
BFGS:   17 21:13:05      -21.199503         0.000242
BFGS:   18 21:13:05      -21.199503         0.000024
BFGS:   19 21:13:05      -21.199503         0.000002
BFGS:   20 21:13:05      -21.199503         0.000000
BFGS:   21 21:13:05      -21.199503         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.051375108756188e-09 eV/Angstrom
Maximum stress component: 2.0546579063676488e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.32555528]
 [0.66666667 0.33333333 0.67444472]
 [0.33333333 0.66666667 0.82658337]
 [0.66666667 0.33333333 0.17341663]]
cellpar =  Cell([[4.056907686163758, -2.247728206869653e-18, -4.140591982899915e-37], [-2.028453843081879, 3.51338511702616, 2.924980364256083e-38], [-1.2278763357660529e-36, -3.3320032246233064e-36, 4.904193626324295]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.34707303e-46  1.72236138e-45 -2.53504968e-09]
 [-6.34707303e-46 -1.72236138e-45  2.53504968e-09]
 [ 3.33368320e-32 -5.77410867e-32  3.05137511e-09]
 [-1.00010496e-31 -5.77410867e-32 -3.05137511e-09]]
stress =  [ 2.05465791e-10  2.05465791e-10 -7.30219797e-11  1.61702600e-46
  5.29276449e-47  3.41211452e-27]
energy per atom =  -4.239900693712079
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0