Model name: model_name=MEAM_LAMMPS_MurallesParkKim_NiTi__MO_182729415169_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521392315626145
cohesive_energy=4.790376740862582
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.8342664873123397e-19, 3.4936422810350395e-19, 4.11603983804502e-19, 4.621526566072019e-19, 5.046375744109799e-19, 5.411351581335e-19, 5.72909525138988e-19, 6.008066246901959e-19, 6.254224664949719e-19, 6.471992513043e-19, 6.664798449178559e-19, 6.835302086568839e-19, 6.985666363669739e-19, 7.117701740077679e-19, 7.23289824006228e-19, 7.33250556139806e-19, 7.41761318419614e-19, 7.48918241443692e-19, 7.54804638397008e-19, 7.59491005051458e-19, 7.630414284724019e-19, 7.65516791371932e-19, 7.669683634023359e-19, 7.674426076859999e-19, 7.669331155163879e-19, 7.6528768011327e-19, 7.623092337506639e-19, 7.577670629932739e-19, 7.513823891067839e-19, 7.4282676588122395e-19, 7.317044556879959e-19, 7.175380098901679e-19, 6.997506448994999e-19, 6.77635800820398e-19, 6.503331088004039e-19, 6.16775519201274e-19, 5.75634827593422e-19, 5.25243168100854e-19, 4.634888719199579e-19, 3.87665862715908e-19, 2.94274986720048e-19, 1.78721201346066e-19, 3.4898771659451395e-20, -1.454505615820854e-19, -3.73690075937526e-19, -6.65787704611968e-19, -1.0447409307921839e-18, -1.5445912014207719e-18, -2.2174445049886798e-18, -3.1463544738492e-18, -4.47024904828974e-18, -6.436408170001859e-18, -9.52151143113324e-18, -1.47490773307821e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.02384787211463679
Energy: -2.8677718094582363
Energy: -1.506743499068998
Energy: -1.9246762059602056
Energy: -2.432579904655288
Energy: -3.1786284139690975
Energy: -3.5169362863535123
Energy: -4.684625902483722
Energy: -3.897151625674787
Energy: -3.9648499095591396
Energy: -2.2561160024478846
Energy: -3.732298448110794
Energy: -4.564165429156396
Energy: -4.306811433189587
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Energy: -4.236193293426407
Energy: -2.436432010375361
Energy: -3.1419666576872163
Energy: -4.038847256104702
Energy: -4.245226099833362
Energy: -4.537729844541203
Energy: -4.04767991342062
Energy: -3.762885030524626
Energy: -3.6247758056350854
Energy: -2.363955308945039
Energy: -3.535256128561022
Energy: -4.368274554921819
Energy: -4.4320224223045654
Energy: -4.498565385256619
Energy: -4.1321983878023145
Energy: -4.046239694317173
Energy: -2.5605735556579856
Energy: -3.861558022018873
Energy: -4.615167328996785
Energy: -4.322963639895812
Energy: -4.3707344776466925
Energy: -4.32601119391909
Energy: -2.9284587347514197
Energy: -3.00503782773502
Energy: -3.9453575420238
Energy: -3.884649275153536
Energy: -4.130307102231955

minimum gb energy = -4.684625902483722 eV
minimum distance =  2.37306341965246 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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minimum gb energy = -6.485112211329956 eV
minimum distance =  2.18438689229583 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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Energy: -5.240718389575415
Energy: -4.969661046265043
Energy: -5.124820500509184
Energy: -5.287747110728198

minimum gb energy = -5.703877032650659 eV
minimum distance =  2.20160268781915 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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Energy: -2.572928054233508
Energy: -2.3852729721251476
Energy: -2.5049207740186947
Energy: -2.4856176239662306

minimum gb energy = -2.681507062491123 eV
minimum distance =  2.23246491500221 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

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Energy: -3.173801839778354
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Energy: -3.3373204122066804
Energy: -3.460666491895307
Energy: -3.594851616047831
Energy: -3.3757882189542068

minimum gb energy = -3.785817368340558 eV
minimum distance =  2.22223021526666 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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Energy: -2.7355268750322757
Energy: -2.6113858291973213
Energy: -2.6537138314115496

minimum gb energy = -3.0262253961942323 eV
minimum distance =  2.17231265584531 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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Energy: -5.646948464798466

minimum gb energy = -6.20088302045612 eV
minimum distance =  2.14355718545194 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

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Energy: -3.020056786090108
Energy: -3.6806580911197395
Energy: -3.366284631091239
Energy: -3.415912348771035
Energy: -3.498958558382451
Energy: -2.957418545098016
Energy: -3.439435036834961
Energy: -3.1127169546982283
Energy: -3.3829329376094557
Energy: -3.582368701283228
Energy: -3.360430558118812
Energy: -3.3676897483935972
Energy: -3.3898410322686567
Energy: -3.2753007901998745
Energy: -3.1698538430066168
Energy: -3.305411361981878
Energy: -3.464392371582377
Energy: -3.516909579261367
Energy: -3.344284989174668
Energy: -3.5934506226260226
Energy: -3.646576548969704
Energy: -3.1552000745891973
Energy: -3.431520825620205
Energy: -3.36462425741882
Energy: -3.6118582262389856
Energy: -3.483130472880691
Energy: -3.2241095799860977
Energy: -3.358465385903041
Energy: -2.9374306841043683
Energy: -3.407700765198254
Energy: -3.7459349656214926
Energy: -3.465341276250656
Energy: -3.4485848993224435
Energy: -3.520151083230457
Energy: -3.3894464714709183
Energy: -3.3983677367846603
Energy: -3.4910551876510674
Energy: -3.363255490206748
Energy: -3.4311817083875815
Energy: -3.3334665840280486
Energy: -3.171454512012162

minimum gb energy = -3.7459349656214926 eV
minimum distance =  2.21602620266266 Angstroms
sigma value = 23