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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 15:47:32      -21.006313         0.521410
BFGS:    1 15:47:32      -21.016158         0.433356
BFGS:    2 15:47:32      -21.036713         0.175939
BFGS:    3 15:47:32      -21.038327         0.194317
BFGS:    4 15:47:32      -21.051632         0.258262
BFGS:    5 15:47:32      -21.059804         0.201928
BFGS:    6 15:47:32      -21.064026         0.105137
BFGS:    7 15:47:32      -21.064847         0.107421
BFGS:    8 15:47:32      -21.065461         0.099895
BFGS:    9 15:47:32      -21.066689         0.104259
BFGS:   10 15:47:32      -21.068605         0.118594
BFGS:   11 15:47:32      -21.070347         0.096522
BFGS:   12 15:47:32      -21.071131         0.106107
BFGS:   13 15:47:32      -21.071489         0.091378
BFGS:   14 15:47:32      -21.071924         0.066853
BFGS:   15 15:47:32      -21.072626         0.074408
BFGS:   16 15:47:32      -21.073413         0.067387
BFGS:   17 15:47:32      -21.073859         0.045057
BFGS:   18 15:47:33      -21.073995         0.028046
BFGS:   19 15:47:33      -21.074043         0.018891
BFGS:   20 15:47:33      -21.074075         0.009375
BFGS:   21 15:47:33      -21.074091         0.003927
BFGS:   22 15:47:33      -21.074094         0.001221
BFGS:   23 15:47:33      -21.074094         0.000151
BFGS:   24 15:47:33      -21.074094         0.000006
BFGS:   25 15:47:33      -21.074094         0.000000
BFGS:   26 15:47:33      -21.074094         0.000000
BFGS:   27 15:47:33      -21.074094         0.000000
Minimization converged after 27 steps.
Maximum force component: 3.386846130105013e-09 eV/Angstrom
Maximum stress component: 3.83077010211828e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Ti', 'Ti']
basis =  [[2.50000000e-01 6.01853108e-36 1.70648297e-01]
 [7.50000000e-01 3.29141833e-35 8.29351703e-01]
 [2.50000000e-01 5.00000000e-01 6.71409913e-01]
 [7.50000000e-01 5.00000000e-01 3.28590087e-01]]
cellpar =  Cell([[4.692146537562776, -2.8729895495319924e-36, 0.0], [9.015073522156716e-36, 2.842598882336389, 0.0], [0.0, 0.0, 4.864049188215414]])
forces =  [[ 1.15670343e-31  2.18985852e-33 -3.38684613e-09]
 [-1.15670343e-31  7.08246605e-68  3.38684613e-09]
 [ 2.77798401e-68  8.75943409e-33  2.07178186e-09]
 [-1.15670343e-31 -8.75943409e-33 -2.07178186e-09]]
stress =  [2.80059093e-11 1.38776030e-10 3.83077010e-10 0.00000000e+00
 0.00000000e+00 4.62065258e-34]
energy per atom =  -5.268523444185112
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0