element(s):
['Pt', 'Ti']
AFLOW prototype label:
A8B_tI18_139_hi_a
Parameter names:
['a', 'c/a', 'x2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3895', '0.46865725', '0.66233709', '0.6706825']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'Ti']
representative atom coordinates =  [[0.66233709 0.66233709 0.        ]
 [0.6706825  0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[8.3895, 0, 0], [0, 8.3895, 0], [0, 0, 3.9318]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:59:23     -101.393032         0.812126
BFGS:    1 15:59:23     -101.491381         0.658542
BFGS:    2 15:59:23     -101.695103         0.175111
BFGS:    3 15:59:23     -101.696900         0.160899
BFGS:    4 15:59:23     -101.698706         0.138124
BFGS:    5 15:59:23     -101.702287         0.078112
BFGS:    6 15:59:23     -101.704685         0.036230
BFGS:    7 15:59:24     -101.705451         0.032618
BFGS:    8 15:59:24     -101.705528         0.029689
BFGS:    9 15:59:24     -101.705550         0.027177
BFGS:   10 15:59:24     -101.705605         0.022350
BFGS:   11 15:59:24     -101.705712         0.017191
BFGS:   12 15:59:24     -101.705898         0.021567
BFGS:   13 15:59:24     -101.706127         0.027113
BFGS:   14 15:59:24     -101.706329         0.024338
BFGS:   15 15:59:24     -101.706473         0.015289
BFGS:   16 15:59:24     -101.706572         0.011909
BFGS:   17 15:59:24     -101.706624         0.005215
BFGS:   18 15:59:24     -101.706638         0.001509
BFGS:   19 15:59:24     -101.706639         0.000380
BFGS:   20 15:59:24     -101.706639         0.000035
BFGS:   21 15:59:24     -101.706639         0.000003
BFGS:   22 15:59:25     -101.706639         0.000000
BFGS:   23 15:59:25     -101.706639         0.000000
BFGS:   24 15:59:25     -101.706639         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.1190985905194743e-09 eV/Angstrom
Maximum stress component: 6.93397379822991e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Ti', 'Ti']
basis =  [[6.67664101e-01 6.67664101e-01 2.93675108e-34]
 [3.32335899e-01 3.32335899e-01 0.00000000e+00]
 [3.32335899e-01 6.67664101e-01 1.95783405e-34]
 [6.67664101e-01 3.32335899e-01 0.00000000e+00]
 [1.67664101e-01 1.67664101e-01 5.00000000e-01]
 [8.32335899e-01 8.32335899e-01 5.00000000e-01]
 [8.32335899e-01 1.67664101e-01 5.00000000e-01]
 [1.67664101e-01 8.32335899e-01 5.00000000e-01]
 [6.65671350e-01 2.11735722e-16 1.88079096e-37]
 [3.34328650e-01 2.11735722e-16 3.47781191e-49]
 [0.00000000e+00 6.65671350e-01 1.95783405e-34]
 [2.71861124e-38 3.34328650e-01 9.78917026e-35]
 [1.65671350e-01 5.00000000e-01 5.00000000e-01]
 [8.34328650e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.65671350e-01 5.00000000e-01]
 [5.00000000e-01 8.34328650e-01 5.00000000e-01]
 [3.33271867e-69 2.11735722e-16 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.34725307497957, -4.084279596209554e-37, 2.4268225793547397e-32], [-1.8057009854194603e-37, 8.347253074979571, 4.777696375366404e-18], [3.742879502031672e-33, 2.2405670321695052e-18, 3.934817543866995]])
forces =  [[-1.11909859e-09 -1.11909859e-09 -6.40535663e-28]
 [ 1.11909859e-09  1.11909859e-09  6.40559913e-28]
 [ 1.11909859e-09 -1.11909859e-09 -6.40462912e-28]
 [-1.11909859e-09  1.11909859e-09  6.40535663e-28]
 [-1.11909859e-09 -1.11909859e-09 -6.40535663e-28]
 [ 1.11909859e-09  1.11909859e-09  6.40559913e-28]
 [ 1.11909859e-09 -1.11909859e-09 -6.40547788e-28]
 [-1.11909859e-09  1.11909859e-09  6.40535663e-28]
 [-1.96997898e-10  2.73295819e-32 -5.72738037e-43]
 [ 1.96997898e-10 -5.14439189e-32  5.72738023e-43]
 [-6.43048986e-33 -1.96997898e-10 -1.12755194e-28]
 [-2.57219594e-32  1.96997898e-10  1.12755194e-28]
 [-1.96997898e-10  1.28609797e-31 -5.72737979e-43]
 [ 1.96997898e-10 -5.14439189e-32  5.72738023e-43]
 [ 4.26151328e-48 -1.96997898e-10 -1.12755194e-28]
 [-4.26151328e-48  1.96997898e-10  1.12755194e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.93397380e-11 -6.93397380e-11 -6.30768811e-11  3.86659440e-26
  2.58003135e-34 -6.75128178e-50]
energy per atom =  -5.650368837643881
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0