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:
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
==== 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 16:19:09      -40.396582        0.6850
BFGS:    1 16:19:09      -40.411014        0.6451
BFGS:    2 16:19:09      -40.468446        0.4420
BFGS:    3 16:19:09      -40.502291        0.2665
BFGS:    4 16:19:09      -40.518875        0.3056
BFGS:    5 16:19:09      -40.527130        0.2695
BFGS:    6 16:19:09      -40.542925        0.2224
BFGS:    7 16:19:09      -40.546760        0.1890
BFGS:    8 16:19:09      -40.547999        0.1538
BFGS:    9 16:19:09      -40.548932        0.1201
BFGS:   10 16:19:09      -40.550535        0.0640
BFGS:   11 16:19:09      -40.551672        0.0629
BFGS:   12 16:19:09      -40.552095        0.0429
BFGS:   13 16:19:09      -40.552176        0.0305
BFGS:   14 16:19:09      -40.552230        0.0229
BFGS:   15 16:19:09      -40.552343        0.0195
BFGS:   16 16:19:09      -40.552491        0.0291
BFGS:   17 16:19:09      -40.552615        0.0346
BFGS:   18 16:19:09      -40.552671        0.0315
BFGS:   19 16:19:09      -40.552701        0.0268
BFGS:   20 16:19:09      -40.552752        0.0227
BFGS:   21 16:19:09      -40.552865        0.0281
BFGS:   22 16:19:09      -40.553075        0.0302
BFGS:   23 16:19:09      -40.553325        0.0253
BFGS:   24 16:19:09      -40.553466        0.0114
BFGS:   25 16:19:09      -40.553500        0.0027
BFGS:   26 16:19:09      -40.553501        0.0002
BFGS:   27 16:19:09      -40.553501        0.0000
BFGS:   28 16:19:09      -40.553501        0.0000
BFGS:   29 16:19:09      -40.553501        0.0000
BFGS:   30 16:19:09      -40.553501        0.0000
BFGS:   31 16:19:09      -40.553501        0.0000
Minimization converged after 31 steps.
Maximum force component: 3.2573531458940375e-10 eV/Angstrom
Maximum stress component: 4.2969271313793105e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Y', 'Y', 'Y', 'Y']
basis =  [[0.00000000e+00 4.19378031e-01 2.50000000e-01]
 [0.00000000e+00 5.80621969e-01 7.50000000e-01]
 [5.00000000e-01 9.19378031e-01 2.50000000e-01]
 [5.00000000e-01 8.06219687e-02 7.50000000e-01]
 [4.73985955e-38 1.43840735e-01 2.50000000e-01]
 [2.71459987e-37 8.56159265e-01 7.50000000e-01]
 [5.00000000e-01 6.43840735e-01 2.50000000e-01]
 [5.00000000e-01 3.56159265e-01 7.50000000e-01]]
cellpar =  Cell([[3.5995752221640838, -1.7509360326690532e-37, 0.0], [-5.880480504851731e-36, 10.612616256266792, 0.0], [0.0, 0.0, 4.54743210090342]])
forces =  [[-1.80490854e-46  3.25735315e-10 -2.80257141e-32]
 [-1.10920475e-32 -3.25735315e-10  2.80257141e-32]
 [ 2.77301188e-33  3.25735315e-10 -5.60514282e-32]
 [-1.66380713e-32 -3.25735315e-10  2.80257141e-32]
 [ 2.21840951e-32  3.03535830e-10  7.00642852e-33]
 [-1.10920475e-32 -3.03535830e-10  0.00000000e+00]
 [ 2.21840951e-32  3.03535830e-10  0.00000000e+00]
 [ 1.68190057e-46 -3.03535830e-10 -3.50321426e-33]]
stress =  [ 3.04762323e-11 -4.29692713e-11  1.62773467e-11  0.00000000e+00
  0.00000000e+00 -3.22661200e-34]
energy per atom =  -5.069187685752125
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0