element(s):
['Pt', 'Ti']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7219', '0.59810669', '1.0338635', '0.19329047', '0.70399944']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.25       0.         0.19329047]
 [0.25       0.5        0.70399944]]
spacegroup =  51
cell =  [[4.7219, 0, 0], [0, 2.8242, 0], [0, 0, 4.8818]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:04:44      -59.539980        15.931255
BFGS:    1 11:04:44      -60.586127         9.762960
BFGS:    2 11:04:44      -61.147414         5.462540
BFGS:    3 11:04:44      -61.645399         1.812833
BFGS:    4 11:04:44      -61.867663         1.045630
BFGS:    5 11:04:45      -61.893318         1.208420
BFGS:    6 11:04:45      -61.923057         0.724019
BFGS:    7 11:04:45      -61.929846         0.202454
BFGS:    8 11:04:45      -61.930965         0.066433
BFGS:    9 11:04:45      -61.931083         0.017690
BFGS:   10 11:04:45      -61.931087         0.003039
BFGS:   11 11:04:45      -61.931087         0.000628
BFGS:   12 11:04:45      -61.931087         0.000066
BFGS:   13 11:04:45      -61.931087         0.000008
BFGS:   14 11:04:45      -61.931087         0.000000
BFGS:   15 11:04:45      -61.931087         0.000000
Minimization converged after 15 steps.
Maximum force component: 3.800922190955082e-09 eV/Angstrom
Maximum stress component: 2.2373352644256124e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Ti', 'Ti']
basis =  [[2.50000000e-01 3.00926554e-35 1.64342230e-01]
 [7.50000000e-01 8.83971680e-36 8.35657770e-01]
 [2.50000000e-01 5.00000000e-01 6.76970514e-01]
 [7.50000000e-01 5.00000000e-01 3.23029486e-01]]
cellpar =  Cell([[4.6934568017697424, 1.1839375855066818e-35, 0.0], [2.823916701046405e-35, 2.9283270245695743, 0.0], [0.0, 0.0, 4.981678970147514]])
forces =  [[ 0.00000000e+00  0.00000000e+00  3.66006385e-09]
 [ 0.00000000e+00  0.00000000e+00 -3.66006385e-09]
 [ 2.02479626e-31  5.10760510e-67 -3.80092219e-09]
 [ 4.62810573e-31  1.16745259e-66  3.80092219e-09]]
stress =  [ 4.28733824e-11 -2.23733526e-10 -6.94524299e-11  0.00000000e+00
  0.00000000e+00 -1.25332649e-45]
energy per atom =  -15.48277176294908
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0