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_KimJungLee_2015_NiAlCo__MO_876687166519_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 16:35:47      -20.978062         0.878327
BFGS:    1 16:35:47      -21.015477         0.791342
BFGS:    2 16:35:47      -21.137756         0.513929
BFGS:    3 16:35:47      -21.190577         0.187796
BFGS:    4 16:35:47      -21.192935         0.118987
BFGS:    5 16:35:47      -21.194712         0.128718
BFGS:    6 16:35:47      -21.196404         0.118335
BFGS:    7 16:35:47      -21.197172         0.097589
BFGS:    8 16:35:47      -21.197902         0.087671
BFGS:    9 16:35:47      -21.198793         0.094772
BFGS:   10 16:35:47      -21.199493         0.059014
BFGS:   11 16:35:47      -21.199732         0.016574
BFGS:   12 16:35:47      -21.199766         0.005736
BFGS:   13 16:35:47      -21.199768         0.005632
BFGS:   14 16:35:47      -21.199770         0.005485
BFGS:   15 16:35:47      -21.199773         0.003552
BFGS:   16 16:35:47      -21.199774         0.001170
BFGS:   17 16:35:47      -21.199774         0.000242
BFGS:   18 16:35:47      -21.199774         0.000025
BFGS:   19 16:35:47      -21.199774         0.000002
BFGS:   20 16:35:47      -21.199774         0.000000
BFGS:   21 16:35:47      -21.199774         0.000000
Minimization converged after 21 steps.
Maximum force component: 3.3912012538384055e-09 eV/Angstrom
Maximum stress component: 2.262645747219233e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ni', 'Ni']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.32554824]
 [0.66666667 0.33333333 0.67445176]
 [0.33333333 0.66666667 0.82658931]
 [0.66666667 0.33333333 0.17341069]]
cellpar =  Cell([[4.057009382855352, -1.1363691405194374e-18, -3.806522646472134e-37], [-2.028504691427676, 3.5134731889445616, -1.7427585363675186e-37], [-1.66010473013406e-36, 2.6175154238940446e-36, 4.903667416846388]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.66688338e-32 -2.88712671e-32 -2.75670615e-09]
 [-9.33264948e-46  1.47149475e-45  2.75670615e-09]
 [ 3.33376676e-32 -5.77425342e-32  3.39120125e-09]
 [-6.66753353e-32 -1.81016151e-45 -3.39120125e-09]]
stress =  [ 2.26264575e-10  2.26264575e-10 -8.92613031e-11 -7.15422853e-34
 -8.26099153e-34 -5.31777795e-26]
energy per atom =  -4.239954796616288
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0