element(s):
['Pd', 'Ti']
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:
['8.6976', '0.38747471', '0.36961921', '0.34142748']
model name:
MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pd', 'Ti']
representative atom coordinates =  [[0.34142748 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[8.6976, 0, 0], [0, 3.2148, 0], [0, 0, 3.3701]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:39      -28.587272         0.723446
BFGS:    1 15:16:39      -28.625582         0.661544
BFGS:    2 15:16:39      -28.769939         0.398642
BFGS:    3 15:16:39      -28.828279         0.092797
BFGS:    4 15:16:39      -28.828506         0.071029
BFGS:    5 15:16:39      -28.828730         0.057734
BFGS:    6 15:16:39      -28.829729         0.100279
BFGS:    7 15:16:39      -28.830240         0.116793
BFGS:    8 15:16:39      -28.830762         0.120214
BFGS:    9 15:16:39      -28.831447         0.115742
BFGS:   10 15:16:39      -28.833124         0.097883
BFGS:   11 15:16:39      -28.835222         0.103343
BFGS:   12 15:16:39      -28.837021         0.068207
BFGS:   13 15:16:39      -28.838148         0.087815
BFGS:   14 15:16:39      -28.838370         0.080986
BFGS:   15 15:16:39      -28.838614         0.071001
BFGS:   16 15:16:39      -28.839199         0.053040
BFGS:   17 15:16:39      -28.840282         0.055995
BFGS:   18 15:16:39      -28.841642         0.049195
BFGS:   19 15:16:39      -28.842437         0.023402
BFGS:   20 15:16:39      -28.842602         0.005242
BFGS:   21 15:16:39      -28.842612         0.000565
BFGS:   22 15:16:39      -28.842612         0.000034
BFGS:   23 15:16:39      -28.842612         0.000002
BFGS:   24 15:16:39      -28.842612         0.000000
BFGS:   25 15:16:39      -28.842612         0.000000
Minimization converged after 25 steps.
Maximum force component: 5.30793593973844e-09 eV/Angstrom
Maximum stress component: 2.8625519017376385e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pd', 'Pd', 'Pd', 'Pd', 'Ti', 'Ti']
basis =  [[3.28429826e-01 0.00000000e+00 0.00000000e+00]
 [6.71570174e-01 3.87593234e-33 6.74018161e-17]
 [8.28429826e-01 5.00000000e-01 5.00000000e-01]
 [1.71570174e-01 5.00000000e-01 5.00000000e-01]
 [2.04235288e-16 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.482721669842569, -1.959591028288069e-32, -4.58681249630999e-15], [0.0, 3.2694622570520537, 2.550934105501995e-19], [0.0, 2.5496911372644624e-19, 3.269462254502846]])
forces =  [[ 5.30793594e-09 -1.22618471e-41 -2.87012913e-24]
 [-5.30793594e-09  1.22618471e-41  2.87012913e-24]
 [ 5.30793594e-09 -1.22618471e-41 -2.87012915e-24]
 [-5.30793594e-09  1.22618471e-41  2.87012916e-24]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.86255190e-10  1.80925978e-10  7.42820158e-12  5.76551104e-34
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.80710206932185
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A2B_oI6_71_e_a, while relaxed is A2B_tI6_139_e_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.