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_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_001
==== 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 00:24:21      -13.348607         6.071489
BFGS:    1 00:24:21      -14.032546         5.184873
BFGS:    2 00:24:21      -14.580176         4.540934
BFGS:    3 00:24:21      -15.043619         3.959226
BFGS:    4 00:24:21      -15.439344         3.423159
BFGS:    5 00:24:21      -15.775540         2.928367
BFGS:    6 00:24:21      -16.057835         2.472208
BFGS:    7 00:24:21      -16.290888         2.052301
BFGS:    8 00:24:21      -16.478895         1.666338
BFGS:    9 00:24:21      -16.625769         1.312104
BFGS:   10 00:24:21      -16.735219         0.987521
BFGS:   11 00:24:21      -16.810811         0.690722
BFGS:   12 00:24:21      -16.856062         0.420205
BFGS:   13 00:24:21      -16.874692         0.175397
BFGS:   14 00:24:21      -16.876033         0.107812
BFGS:   15 00:24:21      -16.876524         0.089659
BFGS:   16 00:24:21      -16.878503         0.096077
BFGS:   17 00:24:21      -16.880484         0.071808
BFGS:   18 00:24:21      -16.881901         0.055871
BFGS:   19 00:24:21      -16.882249         0.043102
BFGS:   20 00:24:21      -16.882338         0.028379
BFGS:   21 00:24:21      -16.882376         0.014932
BFGS:   22 00:24:21      -16.882398         0.004427
BFGS:   23 00:24:21      -16.882403         0.001629
BFGS:   24 00:24:21      -16.882403         0.001147
BFGS:   25 00:24:21      -16.882403         0.000805
BFGS:   26 00:24:21      -16.882403         0.000377
BFGS:   27 00:24:21      -16.882403         0.000085
BFGS:   28 00:24:21      -16.882403         0.000018
BFGS:   29 00:24:21      -16.882403         0.000003
BFGS:   30 00:24:21      -16.882403         0.000000
BFGS:   31 00:24:21      -16.882403         0.000000
Minimization converged after 31 steps.
Maximum force component: 2.48687385354801e-09 eV/Angstrom
Maximum stress component: 1.505847784986971e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.36228628]
 [0.66666667 0.33333333 0.63771372]
 [0.33333333 0.66666667 0.85169055]
 [0.66666667 0.33333333 0.14830945]]
cellpar =  Cell([[4.372593592503922, 1.7347322620581542e-17, -2.635674918490424e-37], [-2.186296796251961, 3.786777131533457, -3.2929422515715034e-36], [4.478429914732466e-36, -5.951885297618865e-37, 5.600927746809473]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.58253474e-32 -7.77927197e-33 -2.28264170e-09]
 [-2.24568238e-32  2.33378159e-32  2.28264170e-09]
 [ 1.07792754e-31 -6.22341757e-32  2.48687385e-09]
 [-1.25758213e-31  3.11170879e-32 -2.48687385e-09]]
stress =  [ 7.17698611e-12  7.17698611e-12 -1.50584778e-10  9.12614982e-46
  3.48236183e-46  2.07777808e-27]
energy per atom =  -3.3764806864802956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0