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 16:39:40      -13.348607         6.071489
BFGS:    1 16:39:40      -14.032546         5.184873
BFGS:    2 16:39:40      -14.580176         4.540934
BFGS:    3 16:39:40      -15.043619         3.959226
BFGS:    4 16:39:40      -15.439344         3.423159
BFGS:    5 16:39:40      -15.775540         2.928367
BFGS:    6 16:39:40      -16.057835         2.472208
BFGS:    7 16:39:40      -16.290888         2.052301
BFGS:    8 16:39:40      -16.478895         1.666338
BFGS:    9 16:39:40      -16.625769         1.312104
BFGS:   10 16:39:40      -16.735219         0.987521
BFGS:   11 16:39:40      -16.810811         0.690722
BFGS:   12 16:39:40      -16.856062         0.420205
BFGS:   13 16:39:40      -16.874692         0.175397
BFGS:   14 16:39:40      -16.876033         0.107812
BFGS:   15 16:39:40      -16.876524         0.089659
BFGS:   16 16:39:40      -16.878503         0.096077
BFGS:   17 16:39:40      -16.880484         0.071808
BFGS:   18 16:39:40      -16.881901         0.055871
BFGS:   19 16:39:40      -16.882249         0.043102
BFGS:   20 16:39:40      -16.882338         0.028379
BFGS:   21 16:39:40      -16.882376         0.014932
BFGS:   22 16:39:40      -16.882398         0.004427
BFGS:   23 16:39:40      -16.882403         0.001629
BFGS:   24 16:39:40      -16.882403         0.001147
BFGS:   25 16:39:40      -16.882403         0.000805
BFGS:   26 16:39:40      -16.882403         0.000377
BFGS:   27 16:39:40      -16.882403         0.000085
BFGS:   28 16:39:40      -16.882403         0.000018
BFGS:   29 16:39:40      -16.882403         0.000003
BFGS:   30 16:39:40      -16.882403         0.000000
BFGS:   31 16:39:40      -16.882403         0.000000
Minimization converged after 31 steps.
Maximum force component: 2.4868724224011425e-09 eV/Angstrom
Maximum stress component: 1.505844313309287e-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([[4.3725935925039225, -9.221751956311195e-19, 4.950644578495727e-36], [-2.1862967962519613, 3.78677713153346, -8.451776743838545e-36], [-6.52186138347067e-36, -1.5305535100480203e-35, 5.600927746809473]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.15585509e-31  6.23767834e-45 -2.28264090e-09]
 [-2.15585509e-31 -6.23767834e-45  2.28264090e-09]
 [-3.59309181e-32 -6.22341757e-32  2.48687242e-09]
 [-3.59309181e-32 -6.22341757e-32 -2.48687242e-09]]
stress =  [ 7.17762897e-12  7.17762897e-12 -1.50584431e-10  7.74871130e-34
  1.34211617e-33  2.80155261e-27]
energy per atom =  -3.3764806864802965
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0