element(s):
['Pd', 'V']
AFLOW prototype label:
A2B_oI6_71_e_a
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3902', '0.44779624', '0.32921742', '0.66195476']
model name:
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'V']
representative atom coordinates =  [[0.66195476 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[8.3902, 0, 0], [0, 2.7622, 0], [0, 0, 3.7571]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:34      -28.486341         0.634757
BFGS:    1 16:15:34      -28.508464         0.506887
BFGS:    2 16:15:34      -28.551641         0.206945
BFGS:    3 16:15:34      -28.552368         0.195119
BFGS:    4 16:15:34      -28.560355         0.146441
BFGS:    5 16:15:34      -28.562755         0.182799
BFGS:    6 16:15:35      -28.563532         0.170225
BFGS:    7 16:15:35      -28.565845         0.084651
BFGS:    8 16:15:35      -28.566428         0.039943
BFGS:    9 16:15:35      -28.566632         0.054789
BFGS:   10 16:15:35      -28.566702         0.055985
BFGS:   11 16:15:35      -28.566885         0.053431
BFGS:   12 16:15:35      -28.567197         0.044046
BFGS:   13 16:15:35      -28.567646         0.042614
BFGS:   14 16:15:35      -28.567949         0.026105
BFGS:   15 16:15:35      -28.568040         0.006270
BFGS:   16 16:15:36      -28.568047         0.000455
BFGS:   17 16:15:36      -28.568048         0.000027
BFGS:   18 16:15:36      -28.568048         0.000002
BFGS:   19 16:15:36      -28.568048         0.000000
BFGS:   20 16:15:36      -28.568048         0.000000
BFGS:   21 16:15:37      -28.568048         0.000000
Minimization converged after 21 steps.
Maximum force component: 7.631742007015858e-10 eV/Angstrom
Maximum stress component: 1.1495656879430382e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'V', 'V']
basis =  [[6.66786889e-01 0.00000000e+00 0.00000000e+00]
 [3.33213111e-01 0.00000000e+00 6.58276836e-37]
 [1.66786889e-01 5.00000000e-01 5.00000000e-01]
 [8.33213111e-01 5.00000000e-01 5.00000000e-01]
 [1.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.204522516157843, 0.0, 0.0], [0.0, 2.753974338581118, -1.6302396804870508e-37], [0.0, -2.0707062635989046e-37, 3.8354523852858606]])
forces =  [[-7.63174201e-10  8.48633863e-33 -5.02356387e-70]
 [ 7.63174201e-10  2.12158466e-33 -1.25589097e-70]
 [-7.63174201e-10  8.48633863e-33  1.18189002e-32]
 [ 7.63174201e-10  4.24316932e-33 -2.51178193e-70]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [7.19853266e-11 1.14956569e-10 1.13987222e-10 5.83463885e-34
 0.00000000e+00 0.00000000e+00]
energy per atom =  -4.7613412535726
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0