element(s):
['Pd', 'V']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8637', '2.016668']
model name:
MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Pd', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8637, 0, 0], [0, 3.8637, 0], [0, 0, 7.7918]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:55      -36.911420         0.228292
BFGS:    1 16:34:55      -36.912156         0.219725
BFGS:    2 16:34:56      -36.920527         0.112870
BFGS:    3 16:34:56      -36.924238         0.196546
BFGS:    4 16:34:56      -36.925681         0.211217
BFGS:    5 16:34:56      -36.930751         0.220486
BFGS:    6 16:34:56      -36.936434         0.196458
BFGS:    7 16:34:56      -36.942342         0.130056
BFGS:    8 16:34:57      -36.945484         0.047661
BFGS:    9 16:34:57      -36.945792         0.013254
BFGS:   10 16:34:57      -36.945829         0.000647
BFGS:   11 16:34:57      -36.945830         0.000192
BFGS:   12 16:34:58      -36.945830         0.000012
BFGS:   13 16:34:58      -36.945830         0.000000
BFGS:   14 16:34:58      -36.945830         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.020317730494529e-31 eV/Angstrom
Maximum stress component: 8.885471584949153e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 6.46890105e-33 2.50000000e-01]
 [3.85189846e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.88186212e-32 7.50000000e-01]
 [0.00000000e+00 1.29378021e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9299217988350232, 2.2509402961138462e-36, -1.6582106825246797e-33], [2.9183119161054685e-38, 3.9299217988350232, -3.731092605608207e-18], [9.423419468779189e-33, -6.937350073686597e-18, 7.51424924024718]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-7.54991983e-64  5.55811370e-49 -6.02031773e-31]
 [-1.16152613e-64  8.55094415e-50 -9.26202728e-32]
 [ 2.90381532e-64 -2.13773604e-49  2.31550682e-31]
 [-3.33938761e-64  2.45839644e-49 -2.66283284e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.61563902e-11 -5.61563902e-11  8.88547158e-11 -5.73667053e-27
 -5.21748206e-35  5.28317459e-51]
energy per atom =  -4.6182287746118655
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0