element(s):
['Pd', 'Ti']
AFLOW prototype label:
A3B_hP16_194_gh_ac
Parameter names:
['a', 'c/a', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5558', '1.6459196', '0.83327078']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Pd', 'Ti', 'Ti']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.83327078 0.66654156 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.5558, 0, 0], [-2.7779, 4.8114639383456, 0], [0, 0, 9.1444]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:35      -74.714855        0.4236
BFGS:    1 15:45:35      -74.722469        0.4083
BFGS:    2 15:45:35      -74.768176        0.2774
BFGS:    3 15:45:35      -74.785472        0.1429
BFGS:    4 15:45:35      -74.787882        0.1406
BFGS:    5 15:45:35      -74.794954        0.0647
BFGS:    6 15:45:35      -74.796060        0.0293
BFGS:    7 15:45:35      -74.796225        0.0258
BFGS:    8 15:45:35      -74.796252        0.0280
BFGS:    9 15:45:35      -74.796345        0.0319
BFGS:   10 15:45:35      -74.796505        0.0328
BFGS:   11 15:45:35      -74.796754        0.0260
BFGS:   12 15:45:35      -74.796941        0.0119
BFGS:   13 15:45:35      -74.796999        0.0036
BFGS:   14 15:45:35      -74.797005        0.0005
BFGS:   15 15:45:35      -74.797005        0.0000
BFGS:   16 15:45:35      -74.797005        0.0000
BFGS:   17 15:45:35      -74.797005        0.0000
BFGS:   18 15:45:35      -74.797005        0.0000
Minimization converged after 18 steps.
Maximum force component: 8.683501107091392e-10 eV/Angstrom
Maximum stress component: 3.4584544127114284e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[5.00000000e-01 2.41678629e-34 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 2.41475562e-34 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.31831474e-01 6.63662948e-01 2.50000000e-01]
 [3.36337052e-01 1.68168526e-01 2.50000000e-01]
 [8.31831474e-01 1.68168526e-01 2.50000000e-01]
 [1.68168526e-01 3.36337052e-01 7.50000000e-01]
 [6.63662948e-01 8.31831474e-01 7.50000000e-01]
 [1.68168526e-01 8.31831474e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00653547e-53 6.98742651e-53 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.521064952338508, 6.217073473644562e-18, 9.13820725610331e-38], [-2.760532476169254, 4.781382504669067, 1.8472468618799644e-37], [-4.147748625645315e-37, 1.94187787463451e-36, 9.041427951660964]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.68006096e-27  8.68350111e-10 -4.64350849e-33]
 [-7.52013255e-10 -4.34175055e-10 -1.20731221e-31]
 [ 7.52013255e-10 -4.34175055e-10  1.39305255e-32]
 [ 4.29986684e-26 -8.68350111e-10 -1.48592272e-31]
 [ 7.52013255e-10  4.34175055e-10  1.48592272e-31]
 [-7.52013255e-10  4.34175055e-10  8.47600760e-48]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.53682531e-32  5.10875647e-50  4.64350849e-33]
 [-4.53682531e-32 -5.10875647e-50 -7.50914005e-70]]
stress =  [-1.22847030e-11 -1.22847030e-11  3.45845441e-11 -1.90080991e-34
  2.19266896e-47  7.61124784e-28]
energy per atom =  -4.674812832272464
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0