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 18:17:57      -36.911420        0.2283
BFGS:    1 18:17:57      -36.912156        0.2197
BFGS:    2 18:17:57      -36.920527        0.1129
BFGS:    3 18:17:57      -36.924238        0.1965
BFGS:    4 18:17:57      -36.925681        0.2112
BFGS:    5 18:17:57      -36.930751        0.2205
BFGS:    6 18:17:57      -36.936434        0.1965
BFGS:    7 18:17:57      -36.942342        0.1301
BFGS:    8 18:17:57      -36.945484        0.0477
BFGS:    9 18:17:57      -36.945792        0.0133
BFGS:   10 18:17:57      -36.945829        0.0006
BFGS:   11 18:17:57      -36.945830        0.0002
BFGS:   12 18:17:57      -36.945830        0.0000
BFGS:   13 18:17:57      -36.945830        0.0000
BFGS:   14 18:17:57      -36.945830        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.1838218767038384e-32 eV/Angstrom
Maximum stress component: 8.88561393569531e-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 9.40931062e-33 2.50000000e-01]
 [9.62485908e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 2.19550581e-32 7.50000000e-01]
 [0.00000000e+00 1.88186212e-32 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9299217988350246, -5.307276159237417e-38, -2.6772185972362844e-32], [4.040143250687475e-37, 3.9299217988350255, 4.185287750321666e-17], [1.2157453932500204e-32, 8.368748380609986e-17, 7.514249240247182]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.42200130e-32 -2.42200130e-32  2.31550682e-32]
 [ 3.74655373e-65  2.42200130e-32  2.31550682e-32]
 [-5.15092001e-65  2.42200130e-32 -3.18382188e-32]
 [-1.21100065e-32 -2.42200130e-32 -2.31550682e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.61548003e-11 -5.61548003e-11  8.88561394e-11  4.69332953e-26
  6.16444890e-43  2.61718960e-58]
energy per atom =  -4.618228774611866
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0