element(s):
['Pd', 'Y']
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:
['3.7311', '2.8296481', '1.2255635', '0.41290051', '0.13721135']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Y']
representative atom coordinates =  [[0.         0.41290051 0.25      ]
 [0.         0.13721135 0.25      ]]
spacegroup =  63
cell =  [[3.7311, 0, 0], [0, 10.5577, 0], [0, 0, 4.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:37:54     -120.399824        34.919042
BFGS:    1 15:37:54     -124.312913        28.943671
BFGS:    2 15:37:54     -127.640891        25.244774
BFGS:    3 15:37:54     -130.629793        20.119009
BFGS:    4 15:37:54     -132.970029        16.490981
BFGS:    5 15:37:54     -134.778439        13.401413
BFGS:    6 15:37:54     -136.127475        10.759877
BFGS:    7 15:37:54     -137.105695         8.458184
BFGS:    8 15:37:54     -137.795597         6.381967
BFGS:    9 15:37:55     -138.267807         4.508764
BFGS:   10 15:37:55     -138.568695         2.794864
BFGS:   11 15:37:55     -138.731858         1.226311
BFGS:   12 15:37:55     -138.782072         0.407184
BFGS:   13 15:37:55     -138.785215         0.403740
BFGS:   14 15:37:55     -138.789683         0.390172
BFGS:   15 15:37:55     -138.795028         0.432237
BFGS:   16 15:37:55     -138.800716         0.315391
BFGS:   17 15:37:55     -138.805762         0.334249
BFGS:   18 15:37:55     -138.809829         0.329199
BFGS:   19 15:37:55     -138.812223         0.182456
BFGS:   20 15:37:55     -138.813055         0.068222
BFGS:   21 15:37:55     -138.813163         0.014035
BFGS:   22 15:37:55     -138.813169         0.002596
BFGS:   23 15:37:55     -138.813169         0.000380
BFGS:   24 15:37:55     -138.813169         0.000096
BFGS:   25 15:37:55     -138.813169         0.000016
BFGS:   26 15:37:55     -138.813169         0.000005
BFGS:   27 15:37:55     -138.813169         0.000001
BFGS:   28 15:37:55     -138.813169         0.000000
BFGS:   29 15:37:55     -138.813169         0.000000
BFGS:   30 15:37:55     -138.813169         0.000000
Minimization converged after 30 steps.
Maximum force component: 4.2446105847124927e-10 eV/Angstrom
Maximum stress component: 4.4323925808482414e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Y', 'Y', 'Y', 'Y']
basis =  [[1.20370622e-34 4.33739147e-01 2.50000000e-01]
 [7.34448870e-35 5.66260853e-01 7.50000000e-01]
 [5.00000000e-01 9.33739147e-01 2.50000000e-01]
 [5.00000000e-01 6.62608530e-02 7.50000000e-01]
 [4.60793786e-36 1.51277771e-01 2.50000000e-01]
 [0.00000000e+00 8.48722229e-01 7.50000000e-01]
 [5.00000000e-01 6.51277771e-01 2.50000000e-01]
 [5.00000000e-01 3.48722229e-01 7.50000000e-01]]
cellpar =  Cell([[3.982299960112178, 1.7371870671129648e-35, 0.0], [2.0608106231279904e-34, 11.288344581082221, 0.0], [0.0, 0.0, 4.454164572865081]])
forces =  [[-7.74900033e-45 -4.24461058e-10 -1.75685815e-30]
 [-4.90856367e-32  4.24461058e-10  3.51371630e-30]
 [-7.74900033e-45 -4.24461058e-10 -3.51371630e-30]
 [ 7.74900033e-45  4.24461058e-10  3.51371630e-30]
 [-1.96342547e-31  1.20686344e-10 -3.51371630e-30]
 [-1.04306978e-31 -1.20686344e-10  3.51371630e-30]
 [-4.90856367e-32  1.20686344e-10 -3.51371630e-30]
 [-2.94513820e-31 -1.20686344e-10  1.75685815e-30]]
stress =  [ 2.89921726e-11 -7.52482643e-12  4.43239258e-11  0.00000000e+00
  0.00000000e+00  5.48385835e-34]
energy per atom =  -17.3516460935342
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0