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 15:39:54     -101.393032         0.812126
BFGS:    1 15:39:55     -101.491381         0.658542
BFGS:    2 15:39:55     -101.695103         0.175111
BFGS:    3 15:39:55     -101.696900         0.160899
BFGS:    4 15:39:55     -101.698706         0.138124
BFGS:    5 15:39:55     -101.702287         0.078112
BFGS:    6 15:39:56     -101.704685         0.036230
BFGS:    7 15:39:56     -101.705451         0.032618
BFGS:    8 15:39:57     -101.705528         0.029689
BFGS:    9 15:39:57     -101.705550         0.027177
BFGS:   10 15:39:57     -101.705605         0.022350
BFGS:   11 15:39:58     -101.705712         0.017191
BFGS:   12 15:39:58     -101.705898         0.021567
BFGS:   13 15:39:58     -101.706127         0.027113
BFGS:   14 15:39:59     -101.706329         0.024338
BFGS:   15 15:39:59     -101.706473         0.015289
BFGS:   16 15:40:00     -101.706572         0.011909
BFGS:   17 15:40:00     -101.706624         0.005215
BFGS:   18 15:40:00     -101.706638         0.001509
BFGS:   19 15:40:01     -101.706639         0.000380
BFGS:   20 15:40:01     -101.706639         0.000035
BFGS:   21 15:40:02     -101.706639         0.000003
BFGS:   22 15:40:02     -101.706639         0.000000
BFGS:   23 15:40:02     -101.706639         0.000000
BFGS:   24 15:40:03     -101.706639         0.000000
Minimization converged after 24 steps.
Maximum force component: 1.1190919124688865e-09 eV/Angstrom
Maximum stress component: 6.933882644600755e-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 3.42620959e-34]
 [3.32335899e-01 3.32335899e-01 2.20256331e-34]
 [3.32335899e-01 6.67664101e-01 3.91566810e-34]
 [6.67664101e-01 3.32335899e-01 1.46837554e-34]
 [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 9.40395481e-38]
 [3.34328650e-01 2.11735722e-16 0.00000000e+00]
 [0.00000000e+00 6.65671350e-01 9.78917026e-35]
 [2.71811416e-38 3.34328650e-01 1.46837554e-34]
 [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]
 [2.22181244e-69 2.11735722e-16 5.43408111e-50]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.34725307497957, 2.7603935181431278e-37, 9.660555366694676e-33], [-4.671464818058423e-37, 8.34725307497957, 1.7338511707503692e-18], [4.202015634177538e-32, 8.064823742150417e-19, 3.9348175438669974]])
forces =  [[-1.11909191e-09 -1.11909191e-09 -2.32452377e-28]
 [ 1.11909191e-09  1.11909191e-09  2.32452377e-28]
 [ 1.11909191e-09 -1.11909191e-09 -2.32455409e-28]
 [-1.11909191e-09  1.11909191e-09  2.32452377e-28]
 [-1.11909191e-09 -1.11909191e-09 -2.32452377e-28]
 [ 1.11909191e-09  1.11909191e-09  2.32451620e-28]
 [ 1.11909191e-09 -1.11909191e-09 -2.32455409e-28]
 [-1.11909191e-09  1.11909191e-09  2.32452377e-28]
 [-1.96998502e-10  2.57219594e-32  6.06254635e-33]
 [ 1.96998502e-10 -2.57219594e-32 -1.51563659e-33]
 [ 1.10248433e-47 -1.96998502e-10 -4.09195791e-29]
 [ 1.28609797e-32  1.96998502e-10  4.09165479e-29]
 [-1.96998502e-10  2.57219594e-32 -4.54690976e-33]
 [ 1.96998502e-10 -2.57219594e-32 -6.06254635e-33]
 [ 1.10248433e-47 -1.96998502e-10 -4.09135166e-29]
 [-1.10248433e-47  1.96998502e-10  4.09127588e-29]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.93388264e-11 -6.93388264e-11 -6.30755806e-11 -8.79420624e-27
  5.90796109e-43 -6.18385001e-59]
energy per atom =  -5.650368837643881
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "Pt8Ti" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.