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 16:44:01     -407.714450        18.473798
BFGS:    1 16:44:02     -410.367712        16.918521
BFGS:    2 16:44:02     -412.791763        15.401683
BFGS:    3 16:44:03     -415.001106        13.953765
BFGS:    4 16:44:03     -416.991018        12.562499
BFGS:    5 16:44:04     -418.776383        11.225562
BFGS:    6 16:44:05     -420.364990         9.941063
BFGS:    7 16:44:05     -421.764570         8.707174
BFGS:    8 16:44:06     -422.982581         7.522129
BFGS:    9 16:44:06     -424.026222         6.384222
BFGS:   10 16:44:07     -424.905157         5.329805
BFGS:   11 16:44:07     -425.626282         4.280751
BFGS:   12 16:44:08     -426.193109         3.274086
BFGS:   13 16:44:08     -426.611858         2.308325
BFGS:   14 16:44:09     -426.888547         1.382040
BFGS:   15 16:44:09     -427.028989         0.493855
BFGS:   16 16:44:09     -427.050212         0.015956
BFGS:   17 16:44:10     -427.050234         0.000787
BFGS:   18 16:44:10     -427.050234         0.000242
BFGS:   19 16:44:10     -427.050234         0.000015
BFGS:   20 16:44:11     -427.050234         0.000001
BFGS:   21 16:44:11     -427.050234         0.000000
BFGS:   22 16:44:12     -427.050234         0.000000
Minimization converged after 22 steps.
Maximum force component: 7.809336688891764e-10 eV/Angstrom
Maximum stress component: 3.659773783669825e-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([[7.116558649433408, -1.460838856128426e-32, 5.2964448400152055e-34], [-8.357678425699667e-33, 7.116558649433408, 3.812943932743282e-18], [2.3483665445901857e-34, 3.812943932743285e-18, 7.116558649433408]])
forces =  [[-1.16957810e-31 -1.16957810e-31 -6.26642167e-50]
 [-1.16957810e-31 -1.16957810e-31 -5.84789052e-32]
 [-5.84789052e-32 -5.84789052e-32 -3.13321084e-50]
 [-2.92394526e-32 -2.92394526e-32 -2.92394526e-32]
 [ 7.80933669e-10  7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10 -7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10  7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10 -7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10  7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10 -7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10  7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10 -7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10  7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10 -7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10  7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10 -7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10  7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10 -7.80933669e-10  7.80933669e-10]
 [-7.80933669e-10  7.80933669e-10 -7.80933669e-10]
 [ 7.80933669e-10 -7.80933669e-10 -7.80933669e-10]
 [ 7.25138424e-30 -5.14614366e-30 -4.67831242e-31]
 [ 1.87132497e-30 -4.67831242e-30  9.35662483e-31]
 [ 2.29237308e-29 -1.40349372e-30 -3.50873431e-30]
 [-3.74264993e-30  2.80698745e-30  5.38005928e-30]]
stress =  [ 3.65977378e-11  3.65977378e-11  3.65977378e-11  2.37842686e-28
  3.89403972e-33 -1.82232487e-50]
energy per atom =  -17.79375977057905
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0