Model name: model_name=MEAM_LAMMPS_MurallesParkKim_NiTi__MO_182729415169_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.022029720621149097
Energy: -4.306062316377666
Energy: -4.375126022674974
Energy: -4.644504838896967
Energy: -4.538963742430475
Energy: -4.572222365053078
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Energy: -4.672060528705291
Energy: -4.117423007810957
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Energy: -4.40970657878076
Energy: -3.8649696550707633
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Energy: -4.108672512864332
Energy: -4.428461506743929
Energy: -4.242584881108213
Energy: -4.611588957187165
Energy: -4.412062281718314
Energy: -4.568214926248365
Energy: -4.153907946478404
Energy: -4.5979415867244615
Energy: -4.6098724564218605
Energy: 0.00535269403277547
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Energy: -3.9854041981195403
Energy: -4.1179776938671
Energy: -4.453102218812992
Energy: -4.6407705889664035
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Energy: -4.2775421618266165
Energy: -4.365599758533341
Energy: -4.493309747303595
Energy: -4.644131226102106
Energy: -4.722857317308122
Energy: -4.531712353932506
Energy: -4.5876272335819515
Energy: -4.5642106751775025
Energy: -4.505653435791593
Energy: -2.6495415682981873
Energy: -4.507201930628617
Energy: -4.495088271721197
Energy: -4.499326595950716
Energy: -4.132332230684234
Energy: -4.610389670111114
Energy: -4.232402360864835
Energy: -4.690421448938366
Energy: -4.191541799621646
Energy: -4.550035895861528
Energy: -4.5183789585597856
Energy: -4.570291268623685
Energy: -4.524089108509217
Energy: -4.359460550707924
Energy: -4.5843472639805825
Energy: -4.427530498235663
Energy: -4.6162638884569995
Energy: -4.394113761412934
Energy: -4.05015616012286
Energy: -3.9677755934225702
Energy: -4.455828416626122
Energy: -4.476440908648452
Energy: -4.569538158680276
Energy: -4.2767784133472695
Energy: -4.469152928938931
Energy: -4.646085681982979
Energy: -4.201038731081631

minimum gb energy = -4.722857317308122 eV
minimum distance =  2.2905304022618 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: -5.330124550463515
Energy: -5.5530634948241815

minimum gb energy = -6.037055712632568 eV
minimum distance =  2.23314044141206 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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minimum distance =  2.17880574862873 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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minimum distance =  2.23168779538489 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

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minimum gb energy = -4.600079204092369 eV
minimum distance =  2.23239028438837 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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minimum distance =  2.26191891199906 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
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minimum gb energy = -4.536005560998296 eV
minimum distance =  2.3077728188946 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

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minimum gb energy = -3.8761339321838437 eV
minimum distance =  2.25897772562583 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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minimum gb energy = -3.0245199255072244 eV
minimum distance =  2.24023439604655 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: -5.832522997142152
Energy: -5.5143941388994975
Energy: -5.452969791955433

minimum gb energy = -6.117875794546874 eV
minimum distance =  2.23656307496063 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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minimum gb energy = -3.2091268914767985 eV
minimum distance =  2.20880604976546 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: -2.582290097236729

minimum gb energy = -3.081408807324012 eV
minimum distance =  2.22119309070541 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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minimum gb energy = -4.228789649748617 eV
minimum distance =  2.21708716838977 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

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Energy: -4.447077503846756
Energy: -4.611896686988309
Energy: -4.808752684039478
Energy: -4.679027795247111
Energy: -4.342786111350594
Energy: -4.56014102975517
Energy: -4.511078493990662
Energy: -4.779533086364265
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Energy: -4.748325846870756
Energy: -4.5550641915792385
Energy: -3.9843410272874586
Energy: -4.761074018617073
Energy: -4.170548978523508
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Energy: -4.674934698338045
Energy: -4.071429307012359
Energy: -4.771898573893157
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Energy: -4.724520608116544
Energy: -5.011010416141149
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Energy: -4.8820644650661436
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Energy: -5.000466256282124
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Energy: -4.867101778826841
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Energy: -4.40613398905313
Energy: -4.453513636487759
Energy: -3.9547428731579775
Energy: -4.5922987758829725
Energy: -4.145531290545491
Energy: -4.936428875923202
Energy: -4.81975583617742
Energy: -3.761416144866509
Energy: -4.444476909670677
Energy: -4.17839789948167
Energy: -4.798422093268269
Energy: -4.531308464093881

minimum gb energy = -5.066499305749344 eV
minimum distance =  2.24815070554914 Angstroms
sigma value = 33