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 15:34:43      -28.486341        0.6348
BFGS:    1 15:34:43      -28.508464        0.5069
BFGS:    2 15:34:43      -28.551641        0.2069
BFGS:    3 15:34:43      -28.552368        0.1951
BFGS:    4 15:34:43      -28.560355        0.1464
BFGS:    5 15:34:43      -28.562755        0.1828
BFGS:    6 15:34:43      -28.563532        0.1702
BFGS:    7 15:34:43      -28.565845        0.0847
BFGS:    8 15:34:43      -28.566428        0.0399
BFGS:    9 15:34:43      -28.566632        0.0548
BFGS:   10 15:34:43      -28.566702        0.0560
BFGS:   11 15:34:43      -28.566885        0.0534
BFGS:   12 15:34:43      -28.567197        0.0440
BFGS:   13 15:34:43      -28.567646        0.0426
BFGS:   14 15:34:43      -28.567949        0.0261
BFGS:   15 15:34:43      -28.568040        0.0063
BFGS:   16 15:34:43      -28.568047        0.0005
BFGS:   17 15:34:43      -28.568048        0.0000
BFGS:   18 15:34:43      -28.568048        0.0000
BFGS:   19 15:34:43      -28.568048        0.0000
BFGS:   20 15:34:43      -28.568048        0.0000
BFGS:   21 15:34:43      -28.568048        0.0000
Minimization converged after 21 steps.
Maximum force component: 7.631765714180563e-10 eV/Angstrom
Maximum stress component: 1.1495654637518787e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'V', 'V']
basis =  [[6.66786889e-01 9.40395366e-35 0.00000000e+00]
 [3.33213111e-01 3.01631703e-35 4.46687853e-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, 4.848707940887139e-39], [0.0, -1.3999872958681165e-37, 3.8354523852858606]])
forces =  [[-7.63176571e-10  2.12158466e-33  3.73530873e-72]
 [ 7.63176571e-10  0.00000000e+00  0.00000000e+00]
 [-7.63176571e-10  2.12158466e-33  3.73530873e-72]
 [ 7.63176571e-10  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [7.19852754e-11 1.14956546e-10 1.13987197e-10 2.91731942e-34
 0.00000000e+00 0.00000000e+00]
energy per atom =  -4.761341253572599
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0