element(s):
['Al', 'Cu']
AFLOW prototype label:
A2B_tI12_140_h_a
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.054', '0.80492237', '0.15849647']
model name:
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cu']
representative atom coordinates =  [[0.15849647 0.65849647 0.        ]
 [0.         0.         0.25      ]]
spacegroup =  140
cell =  [[6.054, 0, 0], [0, 6.054, 0], [0, 0, 4.873]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:49:27      -42.905672        0.2150
BFGS:    1 15:49:27      -42.911277        0.1894
BFGS:    2 15:49:27      -42.935496        0.1317
BFGS:    3 15:49:27      -42.936392        0.1249
BFGS:    4 15:49:27      -42.937880        0.1092
BFGS:    5 15:49:27      -42.940532        0.1053
BFGS:    6 15:49:27      -42.944330        0.1208
BFGS:    7 15:49:28      -42.947264        0.1175
BFGS:    8 15:49:28      -42.948315        0.1012
BFGS:    9 15:49:28      -42.948597        0.0901
BFGS:   10 15:49:28      -42.948957        0.0752
BFGS:   11 15:49:28      -42.949636        0.0471
BFGS:   12 15:49:28      -42.950458        0.0232
BFGS:   13 15:49:29      -42.950962        0.0111
BFGS:   14 15:49:29      -42.951073        0.0044
BFGS:   15 15:49:29      -42.951081        0.0008
BFGS:   16 15:49:29      -42.951081        0.0000
BFGS:   17 15:49:29      -42.951081        0.0000
BFGS:   18 15:49:29      -42.951081        0.0000
BFGS:   19 15:49:29      -42.951081        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.9212672117862937e-09 eV/Angstrom
Maximum stress component: 3.4604415041777543e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Cu', 'Cu', 'Cu', 'Cu']
basis =  [[1.62648077e-01 6.62648077e-01 0.00000000e+00]
 [8.37351923e-01 3.37351923e-01 0.00000000e+00]
 [3.37351923e-01 1.62648077e-01 0.00000000e+00]
 [6.62648077e-01 8.37351923e-01 0.00000000e+00]
 [8.37351923e-01 6.62648077e-01 5.00000000e-01]
 [1.62648077e-01 3.37351923e-01 5.00000000e-01]
 [6.62648077e-01 1.62648077e-01 5.00000000e-01]
 [3.37351923e-01 8.37351923e-01 5.00000000e-01]
 [7.33546762e-17 1.00000000e+00 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 7.50000000e-01]
 [7.33546762e-17 1.00000000e+00 7.50000000e-01]
 [5.00000000e-01 5.00000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.995443255890427, -1.4896956830301514e-36, 1.0274897994395684e-32], [-9.175141606357338e-37, 5.995443255890421, -3.780628912867499e-18], [-4.522449250888724e-32, -3.02406113665059e-18, 4.914255691963944]])
forces =  [[-1.92126721e-09 -1.92126721e-09  1.21152030e-27]
 [ 1.92126721e-09  1.92126721e-09 -1.21152172e-27]
 [ 1.92126721e-09 -1.92126721e-09  1.21152361e-27]
 [-1.92126721e-09  1.92126721e-09 -1.21151983e-27]
 [ 1.92126721e-09 -1.92126721e-09  1.21151983e-27]
 [-1.92126721e-09  1.92126721e-09 -1.21151983e-27]
 [-1.92126721e-09 -1.92126721e-09  1.21151983e-27]
 [ 1.92126721e-09  1.92126721e-09 -1.21151983e-27]
 [ 9.23744296e-33 -2.60921019e-49  4.24010146e-31]
 [ 8.08276259e-33 -1.86372157e-49  3.02864390e-31]
 [-9.23744296e-33 -3.72744313e-50  6.05728780e-32]
 [-8.08276259e-33  1.11823294e-49 -1.81718634e-31]]
stress =  [ 3.46044150e-10  3.46044150e-10 -7.60531110e-11  5.69434472e-26
  2.81079971e-34 -2.30193947e-50]
energy per atom =  -3.5792567621825095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0