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 15:38:07      -40.396582         0.685035
BFGS:    1 15:38:07      -40.411014         0.645132
BFGS:    2 15:38:07      -40.468446         0.442005
BFGS:    3 15:38:07      -40.502291         0.266475
BFGS:    4 15:38:07      -40.518875         0.305584
BFGS:    5 15:38:08      -40.527130         0.269454
BFGS:    6 15:38:08      -40.542925         0.222372
BFGS:    7 15:38:08      -40.546760         0.188957
BFGS:    8 15:38:08      -40.547999         0.153754
BFGS:    9 15:38:08      -40.548932         0.120135
BFGS:   10 15:38:08      -40.550535         0.064012
BFGS:   11 15:38:08      -40.551672         0.062871
BFGS:   12 15:38:08      -40.552095         0.042883
BFGS:   13 15:38:08      -40.552176         0.030545
BFGS:   14 15:38:08      -40.552230         0.022901
BFGS:   15 15:38:08      -40.552343         0.019515
BFGS:   16 15:38:08      -40.552491         0.029121
BFGS:   17 15:38:08      -40.552615         0.034591
BFGS:   18 15:38:08      -40.552671         0.031450
BFGS:   19 15:38:08      -40.552701         0.026824
BFGS:   20 15:38:08      -40.552752         0.022707
BFGS:   21 15:38:08      -40.552865         0.028095
BFGS:   22 15:38:08      -40.553075         0.030232
BFGS:   23 15:38:08      -40.553325         0.025321
BFGS:   24 15:38:08      -40.553466         0.011441
BFGS:   25 15:38:08      -40.553500         0.002719
BFGS:   26 15:38:08      -40.553501         0.000181
BFGS:   27 15:38:08      -40.553501         0.000014
BFGS:   28 15:38:09      -40.553501         0.000001
BFGS:   29 15:38:09      -40.553501         0.000000
BFGS:   30 15:38:09      -40.553501         0.000000
BFGS:   31 15:38:09      -40.553501         0.000000
Minimization converged after 31 steps.
Maximum force component: 3.257411764368696e-10 eV/Angstrom
Maximum stress component: 4.296876003205709e-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]
 [5.99449203e-36 5.80621969e-01 7.50000000e-01]
 [5.00000000e-01 9.19378031e-01 2.50000000e-01]
 [5.00000000e-01 8.06219687e-02 7.50000000e-01]
 [0.00000000e+00 1.43840735e-01 2.50000000e-01]
 [0.00000000e+00 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([[3.5995752221640847, 6.52660868219029e-37, 0.0], [-8.378141058782934e-37, 10.612616256266795, 0.0], [0.0, 0.0, 4.5474321009034195]])
forces =  [[-2.21840951e-32  3.25741176e-10  0.00000000e+00]
 [ 2.21840951e-32 -3.25741176e-10  0.00000000e+00]
 [-2.57156714e-47  3.25741176e-10 -1.12102856e-31]
 [ 4.43681901e-32 -3.25741176e-10  1.12102856e-31]
 [-4.43681901e-32  3.03531948e-10  1.12102856e-31]
 [ 2.39623616e-47 -3.03531948e-10 -1.12102856e-31]
 [-2.21840951e-32  3.03531948e-10  1.12102856e-31]
 [ 2.39623616e-47 -3.03531948e-10 -1.12102856e-31]]
stress =  [ 3.04764490e-11 -4.29687600e-11  1.62773906e-11  0.00000000e+00
  0.00000000e+00  6.45322401e-34]
energy per atom =  -5.069187685752124
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0