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 16:05:10      -42.905672         0.214967
BFGS:    1 16:05:10      -42.911277         0.189446
BFGS:    2 16:05:10      -42.935496         0.131726
BFGS:    3 16:05:10      -42.936392         0.124901
BFGS:    4 16:05:10      -42.937880         0.109156
BFGS:    5 16:05:10      -42.940532         0.105315
BFGS:    6 16:05:10      -42.944330         0.120802
BFGS:    7 16:05:10      -42.947264         0.117481
BFGS:    8 16:05:10      -42.948315         0.101221
BFGS:    9 16:05:10      -42.948597         0.090123
BFGS:   10 16:05:10      -42.948957         0.075153
BFGS:   11 16:05:10      -42.949636         0.047147
BFGS:   12 16:05:10      -42.950458         0.023225
BFGS:   13 16:05:10      -42.950962         0.011142
BFGS:   14 16:05:10      -42.951073         0.004376
BFGS:   15 16:05:10      -42.951081         0.000829
BFGS:   16 16:05:10      -42.951081         0.000045
BFGS:   17 16:05:10      -42.951081         0.000002
BFGS:   18 16:05:10      -42.951081         0.000000
BFGS:   19 16:05:10      -42.951081         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.9212666007113134e-09 eV/Angstrom
Maximum stress component: 3.460446305968652e-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 8.32801830e-35]
 [3.37351923e-01 1.62648077e-01 0.00000000e+00]
 [6.62648077e-01 8.37351923e-01 4.89883429e-35]
 [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([[5.995443255890425, 3.208239675759096e-37, 5.295482942521891e-33], [-2.1939342839953265e-37, 5.995443255890423, -4.788649606308387e-19], [8.219883852102917e-33, -3.472059065329614e-19, 4.914255691963946]])
forces =  [[-1.92126660e-09 -1.92126660e-09  1.53454418e-28]
 [ 1.92126660e-09  1.92126660e-09 -1.53454418e-28]
 [ 1.92126660e-09 -1.92126660e-09  1.53454418e-28]
 [-1.92126660e-09  1.92126660e-09 -1.53454418e-28]
 [ 1.92126660e-09 -1.92126660e-09  1.53454418e-28]
 [-1.92126660e-09  1.92126660e-09 -1.53454418e-28]
 [-1.92126660e-09 -1.92126660e-09  1.53454418e-28]
 [ 1.92126660e-09  1.92126660e-09 -1.53454418e-28]
 [-5.06589454e-64  2.13982161e-50 -3.02864390e-31]
 [ 4.05271564e-64 -1.71185729e-50  2.42291512e-31]
 [-5.06589454e-64  2.13982161e-50 -3.02864390e-31]
 [-7.59884182e-64  3.20973241e-50 -4.54296585e-31]]
stress =  [ 3.46044631e-10  3.46044631e-10 -7.60521601e-11  7.65394618e-27
  3.92204599e-35 -1.57048088e-51]
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