element(s):
['Cu', 'Zr']
AFLOW prototype label:
A5B_cF24_216_ae_c
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8929', '0.62583382']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Cu', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.62583382 0.62583382 0.62583382]
 [0.25       0.25       0.25      ]]
spacegroup =  216
cell =  [[6.8929, 0, 0], [0, 6.8929, 0], [0, 0, 6.8929]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:19:24     -407.714450        18.473798
BFGS:    1 12:19:25     -410.367712        16.918521
BFGS:    2 12:19:25     -412.791763        15.401683
BFGS:    3 12:19:26     -415.001106        13.953765
BFGS:    4 12:19:26     -416.991018        12.562499
BFGS:    5 12:19:27     -418.776383        11.225562
BFGS:    6 12:19:27     -420.364990         9.941063
BFGS:    7 12:19:28     -421.764570         8.707174
BFGS:    8 12:19:28     -422.982581         7.522129
BFGS:    9 12:19:29     -424.026222         6.384222
BFGS:   10 12:19:30     -424.905157         5.329805
BFGS:   11 12:19:30     -425.626282         4.280751
BFGS:   12 12:19:31     -426.193109         3.274086
BFGS:   13 12:19:31     -426.611858         2.308325
BFGS:   14 12:19:32     -426.888547         1.382040
BFGS:   15 12:19:32     -427.028989         0.493855
BFGS:   16 12:19:33     -427.050212         0.015956
BFGS:   17 12:19:34     -427.050234         0.000787
BFGS:   18 12:19:34     -427.050234         0.000242
BFGS:   19 12:19:35     -427.050234         0.000015
BFGS:   20 12:19:35     -427.050234         0.000001
BFGS:   21 12:19:36     -427.050234         0.000000
BFGS:   22 12:19:36     -427.050234         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.811880928294529e-10 eV/Angstrom
Maximum stress component: 3.6604151913906965e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.62561951 0.62561951 0.62561951]
 [0.37438049 0.37438049 0.62561951]
 [0.37438049 0.62561951 0.37438049]
 [0.62561951 0.37438049 0.37438049]
 [0.62561951 0.12561951 0.12561951]
 [0.37438049 0.87438049 0.12561951]
 [0.37438049 0.12561951 0.87438049]
 [0.62561951 0.87438049 0.87438049]
 [0.12561951 0.62561951 0.12561951]
 [0.87438049 0.37438049 0.12561951]
 [0.87438049 0.62561951 0.87438049]
 [0.12561951 0.37438049 0.87438049]
 [0.12561951 0.12561951 0.62561951]
 [0.87438049 0.87438049 0.62561951]
 [0.87438049 0.12561951 0.37438049]
 [0.12561951 0.87438049 0.37438049]
 [0.25       0.25       0.25      ]
 [0.75       0.75       0.25      ]
 [0.75       0.25       0.75      ]
 [0.25       0.75       0.75      ]]
cellpar =  Cell([[7.11655864943341, -2.6897517055624677e-32, 1.7191307629038232e-34], [7.199282479690855e-33, 7.11655864943341, -5.4405118928192075e-18], [1.5368729734388212e-32, -5.44051189281923e-18, 7.11655864943341]])
forces =  [[-1.46197263e-32 -1.46197263e-32  1.11765811e-50]
 [ 1.46197263e-32 -1.11765811e-50  1.46197263e-32]
 [-4.63620379e-65 -1.46197263e-32 -1.46197263e-32]
 [ 4.63620379e-65  1.46197263e-32  1.46197263e-32]
 [ 7.81188093e-10  7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10 -7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10  7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10 -7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10  7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10 -7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10  7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10 -7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10  7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10 -7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10  7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10 -7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10  7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10 -7.81188093e-10  7.81188093e-10]
 [-7.81188093e-10  7.81188093e-10 -7.81188093e-10]
 [ 7.81188093e-10 -7.81188093e-10 -7.81188093e-10]
 [ 1.16957810e-30  5.36475892e-49 -7.01746862e-31]
 [ 4.67831242e-31  3.57650595e-49 -4.67831242e-31]
 [ 9.35662483e-31  3.57650595e-49 -4.67831242e-31]
 [ 7.01746862e-31  5.36475892e-49 -7.01746862e-31]]
stress =  [ 3.66041519e-11  3.66041519e-11  3.66041519e-11 -5.47651362e-27
 -2.59602648e-33  2.04563697e-49]
energy per atom =  -17.79375977057906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0