element(s):
['Cu', 'Zr']
AFLOW prototype label:
AB_oC8_63_c_c
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2227', '3.3039687', '1.2775933', '0.56865493', '0.84481719']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cu', 'Zr']
representative atom coordinates =  [[0.         0.56865493 0.25      ]
 [0.         0.84481719 0.25      ]]
spacegroup =  63
cell =  [[3.2227, 0, 0], [0, 10.6477, 0], [0, 0, 4.1173]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:16:54     -146.198249       45.2676
BFGS:    1 16:16:54     -151.587830       37.4038
BFGS:    2 16:16:54     -155.250529       31.8029
BFGS:    3 16:16:54     -158.355613       25.9915
BFGS:    4 16:16:54     -160.999061       21.1892
BFGS:    5 16:16:54     -162.884341       17.0854
BFGS:    6 16:16:54     -164.379382       13.4293
BFGS:    7 16:16:54     -165.484914       10.2301
BFGS:    8 16:16:54     -166.282559        7.4330
BFGS:    9 16:16:54     -166.817789        4.9719
BFGS:   10 16:16:54     -167.137549        2.8236
BFGS:   11 16:16:54     -167.280071        0.9961
BFGS:   12 16:16:54     -167.299569        0.2107
BFGS:   13 16:16:54     -167.301446        0.2614
BFGS:   14 16:16:54     -167.304981        0.2450
BFGS:   15 16:16:54     -167.306226        0.1316
BFGS:   16 16:16:54     -167.306583        0.0707
BFGS:   17 16:16:54     -167.306708        0.0432
BFGS:   18 16:16:54     -167.306745        0.0165
BFGS:   19 16:16:54     -167.306753        0.0040
BFGS:   20 16:16:54     -167.306753        0.0005
BFGS:   21 16:16:54     -167.306753        0.0000
BFGS:   22 16:16:54     -167.306753        0.0000
BFGS:   23 16:16:54     -167.306753        0.0000
BFGS:   24 16:16:54     -167.306753        0.0000
BFGS:   25 16:16:54     -167.306753        0.0000
Minimization converged after 25 steps.
Maximum force component: 7.78909119951039e-09 eV/Angstrom
Maximum stress component: 1.9527400200475555e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cu', 'Cu', 'Cu', 'Cu', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[1.20370610e-34 5.65061106e-01 2.50000000e-01]
 [1.26953480e-35 4.34938894e-01 7.50000000e-01]
 [5.00000000e-01 6.50611055e-02 2.50000000e-01]
 [5.00000000e-01 9.34938894e-01 7.50000000e-01]
 [0.00000000e+00 8.42614315e-01 2.50000000e-01]
 [1.62218185e-36 1.57385685e-01 7.50000000e-01]
 [5.00000000e-01 3.42614315e-01 2.50000000e-01]
 [5.00000000e-01 6.57385685e-01 7.50000000e-01]]
cellpar =  Cell([[3.4695111648480537, 3.4219599700846506e-36, 0.0], [7.411886000930912e-35, 10.765508316165532, 0.0], [0.0, 0.0, 4.341237755740146]])
forces =  [[-2.13825134e-31 -2.76705788e-09  0.00000000e+00]
 [-3.42120215e-31  2.76705788e-09  0.00000000e+00]
 [-2.13825134e-31 -2.76705788e-09 -8.56158186e-31]
 [-2.56590161e-31  2.76705788e-09  8.56158186e-31]
 [ 8.55300537e-32  7.78909120e-09  1.71231637e-30]
 [-1.71060107e-31 -7.78909120e-09 -8.56158186e-31]
 [ 1.71060107e-31  7.78909120e-09  8.56158186e-31]
 [-1.71060107e-31 -7.78909120e-09 -8.56158186e-31]]
stress =  [-4.42398862e-11 -1.95274002e-10 -4.76649841e-12  0.00000000e+00
  0.00000000e+00  5.28004486e-33]
energy per atom =  -20.91334414927284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0