Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0469995588064185
cohesive_energy=3.3572640154045166
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.011719851725649334
Energy: 0.1678443966651029
Energy: 0.16784439666625628
Energy: 0.011719851726802708
Energy: 0.16784439666625628
Energy: 0.16784439666740963
Energy: 0.011719851726802708
Energy: 0.16784439666625628
Energy: 0.16784439666625628
Energy: 0.011719851726802708
Energy: 0.16819913058546218
Energy: 0.012030614934058905
Energy: 0.16764208499899688
Energy: 0.16819912422741443
Energy: 0.012030624034786741
Energy: 0.16764353263757284
Energy: 0.16819920756231854
Energy: 0.012030611518120732
Energy: 0.16764580589401964
Energy: 0.16819912916858995
Energy: 0.5169752781756892
Energy: 0.19053315928507014
Energy: 0.24398594501864787
Energy: 0.4834149990649007
Energy: 0.1163865312893219
Energy: 0.3456299991876281
Energy: 0.2794051073702782
Energy: 0.012715564390001178
Energy: 0.3456299988924944
Energy: 0.2794051073691248
Energy: 0.1681991396516149
Energy: 0.16764448358234466
Energy: 0.012030611876663962
Energy: 0.16819910660817863
Energy: 0.1676412400487048
Energy: 0.012030606631127766
Energy: 0.16819913486376
Energy: 0.16764621055681775
Energy: 0.012030607732105552
Energy: 0.1681991705034498
Energy: 0.011719851726802708
Energy: 0.1678443966651029
Energy: 0.1678443966651029
Energy: 0.011719851726802708
Energy: 0.16784439666625628
Energy: 0.16784439666625628
Energy: 0.011719851726802708
Energy: 0.16784439666740963
Energy: 0.16784439666625628
Energy: 0.011719851726802708
Energy: 0.1681991081587641
Energy: 0.01203060783009024
Energy: 0.16763975895627356
Energy: 0.16819908357275917
Energy: 0.012030632918758182
Energy: 0.16764195145333516
Energy: 0.16819926270043736
Energy: 0.012030603373123717
Energy: 0.16764534861671962
Energy: 0.16819914221211368
Energy: 0.2794051073691248
Energy: 0.22489357973353735
Energy: 0.2257542616839134
Energy: 0.4301333008243568
Energy: 0.1824929492079527
Energy: 0.22489357973353735
Energy: 0.2794051073702782
Energy: 0.012715528774506131
Energy: 0.3456300068011538
Energy: 0.2794051073691248

minimum gb energy = 0.011719851725649334 eV
minimum distance =  2.63110004708149 Angstroms
sigma value = 3


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

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Energy: 0.5369053261839875
Energy: 0.5492821699719076
Energy: 0.4484561358566782
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Energy: 0.5182886484302585
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Energy: 0.5492821699639971
Energy: 0.47686372083688666
Energy: 0.5369053261845526
Energy: 0.5492821699806656
Energy: 0.45524154242778964
Energy: 0.5182886484294108
Energy: 0.45440828781310766
Energy: 0.48951996039777335
Energy: 0.5182886484271506
Energy: 0.4544082878128252
Energy: 0.48951996039918594
Energy: 0.5182886484302585
Energy: 0.45440828781395526
Energy: 0.4895199603980559
Energy: 0.5182886484282808
Energy: 0.5041609933270361
Energy: 0.5134488076451046
Energy: 0.5439897089718311
Energy: 0.5244231340948121
Energy: 0.5134488076445395
Energy: 0.5439897089743738
Energy: 0.5041609933264711
Energy: 0.5134488076442569
Energy: 0.5439897089735262
Energy: 0.5244231340939646
Energy: 0.5512445052803057
Energy: 0.5544537956355647
Energy: 0.42482850334033806
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Energy: 0.5544537956366948
Energy: 0.42482850334146816
Energy: 0.5512445052786106
Energy: 0.5544537956366948
Energy: 0.4248285033411856
Energy: 0.5512445052786106

minimum gb energy = 0.3968744123769398 eV
minimum distance =  2.42537593338637 Angstroms
sigma value = 75


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

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Energy: 0.4800489836704061
Energy: 0.4773781523738968
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minimum gb energy = 0.4531390560273482 eV
minimum distance =  2.40036026206604 Angstroms
sigma value = 105


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

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Energy: 0.4959969282516477
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Energy: 0.4799027287317346
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Energy: 0.4808457395231551
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Energy: 0.4962762331057685
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Energy: 0.5013312801552929
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Energy: 0.5010485953831545
Energy: 0.5442386057693487
Energy: 0.47758381661235433
Energy: 0.5013312801562262
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Energy: 0.47758381661280674
Energy: 0.4977315836647919
Energy: 0.48994105322402587
Energy: 0.4997457294948903
Energy: 0.49773158366541403
Energy: 0.48994105322402587
Energy: 0.4997457294948903
Energy: 0.4977315836655555
Energy: 0.48994105322184855
Energy: 0.4997457294953427
Energy: 0.49773158366493336
Energy: 0.5413082347626518
Energy: 0.4988991069271659
Energy: 0.4979685696000734
Energy: 0.5413082347617186
Energy: 0.4984784481120384
Energy: 0.4979685696005259
Energy: 0.5413082347617186
Energy: 0.4988991069273355
Energy: 0.4979685695991403
Energy: 0.5413082347618601
Energy: 0.5650850841744084
Energy: 0.4804834765742744
Energy: 0.49923668925183534
Energy: 0.5650850841762464
Energy: 0.4785664417409649
Energy: 0.499236689252316
Energy: 0.5650850841761049
Energy: 0.48048347657503776
Energy: 0.499236689251694
Energy: 0.5650850841756525
Energy: 0.46963946910522536
Energy: 0.5035147416374209
Energy: 0.4894908349468557
Energy: 0.4696394691049144
Energy: 0.503442605437259
Energy: 0.4894908349471668
Energy: 0.46963946910615845
Energy: 0.5035147416372796
Energy: 0.4894908349471668
Energy: 0.46963946910522536

minimum gb energy = 0.4582124702620426 eV
minimum distance =  2.40177668819685 Angstroms
sigma value = 165


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

Energy: 0.4464109801656146
Energy: 0.4032802376212545
Energy: 0.40354204438344254
Energy: 0.4464109801672163
Energy: 0.4032802376212545
Energy: 0.4035420443839764
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Energy: 0.4464109801672163
Energy: 0.4457875818947158
Energy: 0.46937075042721793
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Energy: 0.45266492424077165
Energy: 0.4457875818941819
Energy: 0.4494937556525726
Energy: 0.4963879437603902
Energy: 0.4351664956773537
Energy: 0.4494937556531065
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Energy: 0.4494937556525726
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Energy: 0.4494937556531065
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Energy: 0.46467967279599853
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Energy: 0.42989904316403244
Energy: 0.4903861765233482
Energy: 0.4788566528173297
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Energy: 0.4229276716177499
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Energy: 0.4208787393516655
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Energy: 0.4324668539216397
Energy: 0.4208787393521993
Energy: 0.4229276716182838
Energy: 0.4324668538986815
Energy: 0.43837326713889363
Energy: 0.4531894208462724
Energy: 0.4018694783917823
Energy: 0.43837326713889363
Energy: 0.4531894208452046
Energy: 0.4018694784195456
Energy: 0.43837326713889363
Energy: 0.4531894208457385
Energy: 0.4018694784494203
Energy: 0.43837326713889363
Energy: 0.44946722145450757
Energy: 0.4350910358351653
Energy: 0.49632334902537706
Energy: 0.4494672214550415
Energy: 0.43509103583623315
Energy: 0.4963233490243092
Energy: 0.44946722145450757
Energy: 0.4350910358351653
Energy: 0.49632334902537706
Energy: 0.44946722145557544
Energy: 0.445864441069506
Energy: 0.4524867613965068
Energy: 0.4694127239661469
Energy: 0.445864441069506
Energy: 0.4524867613970407
Energy: 0.4694127239666809
Energy: 0.445864441069506
Energy: 0.4524867613970407
Energy: 0.4694127239661469
Energy: 0.445864441069506
Energy: 0.4464109801661485
Energy: 0.4032802376217884
Energy: 0.4035420443839764
Energy: 0.4464109801672163
Energy: 0.4032802376212545
Energy: 0.4035420443845103
Energy: 0.4464109801661485
Energy: 0.4032802376212545
Energy: 0.4035420443850442
Energy: 0.4464109801666824

minimum gb energy = 0.4018694783917823 eV
minimum distance =  2.57531618840661 Angstroms
sigma value = 41


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

Energy: 0.36934116899860353
Energy: 0.37004317597132136
Energy: 0.3305652100592638
Energy: 0.29062400481269046
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Energy: 0.33052340599315233
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Energy: 0.331109072668861
Energy: 0.3199316566681809
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Energy: 0.32827933439030543
Energy: 0.3199316566692355
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Energy: 0.3102689670222982
Energy: 0.33722295853175965
Energy: 0.3551288675007802
Energy: 0.31023958998969303
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Energy: 0.3551288674997256
Energy: 0.3102689670210553
Energy: 0.3372229585309311
Energy: 0.35512886750096856
Energy: 0.39837667801619947
Energy: 0.3538248572233941
Energy: 0.32010139302492857
Energy: 0.38371088522596786
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Energy: 0.3201013930242883
Energy: 0.3983766780170281
Energy: 0.3538248572232057
Energy: 0.3201013930230454
Energy: 0.38758654624563954

minimum gb energy = 0.2858530900263878 eV
minimum distance =  2.43976072153324 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: -0.0025419258374528627
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Energy: 0.16078976004218862
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Energy: 0.10086185850849645
Energy: 0.16078976004341813

minimum gb energy = -0.002677316841086188 eV
minimum distance =  2.57898031052441 Angstroms
sigma value = 33


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

Energy: 0.27608869728328456
Energy: 0.31047866579752054
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Energy: 0.24959620400268961

minimum gb energy = 0.22277903398138027 eV
minimum distance =  2.42595805097691 Angstroms
sigma value = 219


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

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Energy: 0.415846324679748
Energy: 0.41565437090476326
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Energy: 0.4018501463501296
Energy: 0.4258630209093164
Energy: 0.43297375256477366
Energy: 0.4018501463501296
Energy: 0.425863020908423

minimum gb energy = 0.3543163939944986 eV
minimum distance =  2.48211702358965 Angstroms
sigma value = 15


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

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Energy: 0.4927476233169483
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Energy: 0.48409836329544265
Energy: 0.47328615274062513
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minimum gb energy = 0.41053135385901685 eV
minimum distance =  2.45657459085569 Angstroms
sigma value = 293


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

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Energy: 0.46846801845871994
Energy: 0.4370148894485197
Energy: 0.49810414476997034
Energy: 0.4684680184583163
Energy: 0.4370148894483179
Energy: 0.49810414476997034
Energy: 0.46846801845851815
Energy: 0.4370148894483179
Energy: 0.49810414476997034
Energy: 0.4428018111332242
Energy: 0.5011146070603313
Energy: 0.4853430031964805
Energy: 0.4428018111332242
Energy: 0.5011146070607349
Energy: 0.4853430031966823
Energy: 0.4428018111332242
Energy: 0.5011146070605329
Energy: 0.4853430031964805
Energy: 0.4428018111332242
Energy: 0.5005290243085614
Energy: 0.39807454836586276
Energy: 0.39793912317636276
Energy: 0.500529024308965
Energy: 0.39807454836606454
Energy: 0.3979391231769682
Energy: 0.5005290243091667
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Energy: 0.3979391231767664
Energy: 0.5005290243087631
Energy: 0.4427986667212964
Energy: 0.48537621476984916
Energy: 0.5009473384675183
Energy: 0.4427986667210945
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Energy: 0.5009473384675183
Energy: 0.4427986667210945
Energy: 0.4980270004041314
Energy: 0.43665075513964086
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Energy: 0.49802700040493864
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Energy: 0.4980270004051405
Energy: 0.5237432568617262
Energy: 0.5047882848403944
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Energy: 0.5237432568613225
Energy: 0.5047882848403944
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Energy: 0.5047882848403944
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Energy: 0.5237432568613225
Energy: 0.449766901862664
Energy: 0.5154450009282865
Energy: 0.44556803019740937
Energy: 0.4497669018628658
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Energy: 0.44556803019740937
Energy: 0.449766901862664
Energy: 0.5154450009280848
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Energy: 0.4497669018634712
Energy: 0.40986862007525016
Energy: 0.4423469988930443
Energy: 0.44199733632180915
Energy: 0.40986862007525016
Energy: 0.44234699889344786
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Energy: 0.40986862007525016
Energy: 0.44234699889344786
Energy: 0.44199733632201105
Energy: 0.4098686200750484
Energy: 0.4425177951256025
Energy: 0.474829560161609
Energy: 0.4448769596141167
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Energy: 0.44251779512540074
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Energy: 0.4425177951249972
Energy: 0.45148014376797113
Energy: 0.49598191864272145
Energy: 0.4963337264985464
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Energy: 0.4959819186435287
Energy: 0.4963337264983447
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Energy: 0.49598191864231783
Energy: 0.4963337264955195
Energy: 0.45148014376797113
Energy: 0.44295851814556847
Energy: 0.44495212200632
Energy: 0.4750578171572385
Energy: 0.4429585181453666
Energy: 0.4449521220059164
Energy: 0.475057817145534
Energy: 0.44295851814556847
Energy: 0.4449521220059164
Energy: 0.4750578171556241
Energy: 0.442958518144963
Energy: 0.40989711226761144
Energy: 0.44197517334062
Energy: 0.44239096865906935
Energy: 0.40989711226781333
Energy: 0.44197517334062
Energy: 0.44239096865967475
Energy: 0.40989711226761144
Energy: 0.44197517334062
Energy: 0.44239096865906935
Energy: 0.40989711226761144
Energy: 0.45035708564602017
Energy: 0.44544918492980334
Energy: 0.5154492445893791
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Energy: 0.4454491849300051
Energy: 0.515449244589581
Energy: 0.4503570856464237
Energy: 0.44544918492980334
Energy: 0.5154492445893791
Energy: 0.4503570856462219
Energy: 0.5235836420756279
Energy: 0.44126667658163427
Energy: 0.5049208433700989
Energy: 0.5235836420754261
Energy: 0.4412666765814325
Energy: 0.5049208433703006
Energy: 0.5235836420756279
Energy: 0.44126667658203794
Energy: 0.5049208433703006
Energy: 0.5235836420758297
Energy: 0.49810414476976855
Energy: 0.46846801845851815
Energy: 0.4370148894485197
Energy: 0.4981041447695668
Energy: 0.46846801845851815
Energy: 0.4370148894483179
Energy: 0.49810414476997034
Energy: 0.4684680184583163
Energy: 0.43701488944771255
Energy: 0.49810414476997034
Energy: 0.4428018111332242
Energy: 0.5011146070605329
Energy: 0.4853430031964805
Energy: 0.4428018111332242
Energy: 0.5011146070603313
Energy: 0.4853430031964805
Energy: 0.4428018111332242
Energy: 0.5011146070607349
Energy: 0.4853430031966823
Energy: 0.4428018111332242
Energy: 0.5005290243091667
Energy: 0.3980745483662663
Energy: 0.3979391231769682
Energy: 0.5005290243087631
Energy: 0.39807454836545914
Energy: 0.3979391231765646
Energy: 0.500529024308965
Energy: 0.39807454836606454
Energy: 0.39793912317636276
Energy: 0.500529024308965
Energy: 0.4427986667210945
Energy: 0.48537621477005094
Energy: 0.5009473384675183
Energy: 0.4427986667212964
Energy: 0.48537621477005094
Energy: 0.5009473384675183
Energy: 0.4427986667210945
Energy: 0.48537621476984916
Energy: 0.5009473384675183
Energy: 0.4427986667214982
Energy: 0.4980270004051405
Energy: 0.4366507551390355
Energy: 0.4684858838622837
Energy: 0.4980270004043333
Energy: 0.43665075514024626
Energy: 0.46848588386188017
Energy: 0.49802700040453507
Energy: 0.4366507551392373
Energy: 0.46848588386208195
Energy: 0.49802700040554404
Energy: 0.5237432568613225
Energy: 0.5047882848403944
Energy: 0.4413400812773196
Energy: 0.5237432568613225
Energy: 0.5047882848403944
Energy: 0.44134008127772323
Energy: 0.5237432568615243
Energy: 0.5047882848401926
Energy: 0.4413400812773196
Energy: 0.5237432568613225
Energy: 0.4497669018628658
Energy: 0.5154450009282865
Energy: 0.4455680301972076
Energy: 0.449766901862664
Energy: 0.5154450009284883
Energy: 0.445568030197813
Energy: 0.449766901862664
Energy: 0.5154450009282865
Energy: 0.4455680301972076
Energy: 0.449766901862664

minimum gb energy = 0.397939123176161 eV
minimum distance =  2.4513297124103 Angstroms
sigma value = 293


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

Energy: 0.35232622697328764
Energy: 0.35241920672313976
Energy: 0.35217967896389635
Energy: 0.35232622697401716
Energy: 0.3524192067220456
Energy: 0.35217967896280217
Energy: 0.3523262269736524
Energy: 0.35241920672277505
Energy: 0.3521796789635316
Energy: 0.35232622697401716
Energy: 0.35324104130245004
Energy: 0.3524552022713582
Energy: 0.353110053764908
Energy: 0.35324104130281475
Energy: 0.3524552022717229
Energy: 0.353110053764908
Energy: 0.3532410413035442
Energy: 0.3524552022717229
Energy: 0.353110053764908
Energy: 0.35324104130281475
Energy: 0.3524661998171675
Energy: 0.35242089694282297
Energy: 0.5208113182015169
Energy: 0.3524661998171675
Energy: 0.3524208969431877
Energy: 0.5208113182011521
Energy: 0.3524661998182616
Energy: 0.3524208969431877
Energy: 0.5208113182007874
Energy: 0.3524661998171675
Energy: 0.5209277323008599
Energy: 0.35239420092261886
Energy: 0.3524550273318661
Energy: 0.5209277323004952
Energy: 0.3523942009204305
Energy: 0.3524550273311367
Energy: 0.5209277323015894
Energy: 0.35239420092663093
Energy: 0.3524550273315014
Energy: 0.5209277323008599
Energy: 0.3530048485052227
Energy: 0.35251103178937865
Energy: 0.3533842329110068
Energy: 0.3530048485055874
Energy: 0.35251103178937865
Energy: 0.3533842329110068
Energy: 0.3530048485055874
Energy: 0.35251103178937865
Energy: 0.35338423291173626
Energy: 0.3530048485055874
Energy: 0.3524192067224103
Energy: 0.3521796789631669
Energy: 0.3523262269743819
Energy: 0.35241920672313976
Energy: 0.3521796789646258
Energy: 0.35232622697401716
Energy: 0.35241920672277505
Energy: 0.35217967896389635
Energy: 0.35232622697401716
Energy: 0.3524192067224103
Energy: 0.35245520227208765
Energy: 0.35311005376454324
Energy: 0.3532410413035442
Energy: 0.3524552022717229
Energy: 0.35311005376454324
Energy: 0.3532410413031795
Energy: 0.3524552022717229
Energy: 0.35311005376454324
Energy: 0.35324104130281475
Energy: 0.3524552022713582
Energy: 0.3524208969431877
Energy: 0.5208113182011521
Energy: 0.3524661998182616
Energy: 0.35242089694282297
Energy: 0.5208113182018815
Energy: 0.3524661998171675
Energy: 0.3524208969424582
Energy: 0.5208113182015169
Energy: 0.3524661998171675
Energy: 0.35242089694282297
Energy: 0.3523942009248072
Energy: 0.3524550273315014
Energy: 0.5209277323012246
Energy: 0.35239420092225415
Energy: 0.3524550273315014
Energy: 0.5209277323001305
Energy: 0.35239420092699564
Energy: 0.3524550273311367
Energy: 0.5209277323012246
Energy: 0.35239420092663093
Energy: 0.35251103178901394
Energy: 0.35338423291137155
Energy: 0.3530048485063168
Energy: 0.35251103178937865
Energy: 0.35338423291173626
Energy: 0.3530048485052227
Energy: 0.35251103178901394
Energy: 0.3533842329110068
Energy: 0.3530048485059521
Energy: 0.35251103178901394
Energy: 0.3521796789635316
Energy: 0.3523262269736524
Energy: 0.3524192067216808
Energy: 0.3521796789635316
Energy: 0.3523262269736524
Energy: 0.35241920672277505
Energy: 0.35217967896280217
Energy: 0.35232622697401716
Energy: 0.35241920672277505
Energy: 0.3521796789635316
Energy: 0.353110053764908
Energy: 0.35324104130245004
Energy: 0.3524552022717229
Energy: 0.35311005376454324
Energy: 0.3532410413035442
Energy: 0.3524552022717229
Energy: 0.353110053764908
Energy: 0.35324104130281475
Energy: 0.35245520227208765
Energy: 0.353110053764908
Energy: 0.5208113182015169
Energy: 0.3524661998178969
Energy: 0.3524208969431877
Energy: 0.5208113182011521
Energy: 0.3524661998178969
Energy: 0.3524208969431877
Energy: 0.5208113182015169
Energy: 0.3524661998178969
Energy: 0.3524208969431877
Energy: 0.5208113182018815
Energy: 0.3524550273322309
Energy: 0.5209277323008599
Energy: 0.3523942009207952
Energy: 0.3524550273318661
Energy: 0.5209277323012246
Energy: 0.3523942009207952
Energy: 0.3524550273318661
Energy: 0.5209277323008599
Energy: 0.35239420092590146
Energy: 0.3524550273318661
Energy: 0.3533842329110068
Energy: 0.3530048485059521
Energy: 0.35251103178901394
Energy: 0.35338423291137155
Energy: 0.3530048485044932
Energy: 0.35251103178937865
Energy: 0.35338423291137155
Energy: 0.3530048485055874
Energy: 0.35251103178937865
Energy: 0.35338423291173626
Energy: 0.35232622697474664
Energy: 0.3524192067224103
Energy: 0.35217967896280217
Energy: 0.3523262269736524
Energy: 0.3524192067224103
Energy: 0.3521796789635316
Energy: 0.35232622697328764
Energy: 0.3524192067216808
Energy: 0.3521796789631669
Energy: 0.35232622697328764
Energy: 0.35324104130245004
Energy: 0.3524552022713582
Energy: 0.353110053764908
Energy: 0.35324104130281475
Energy: 0.3524552022717229
Energy: 0.353110053764908
Energy: 0.35324104130245004
Energy: 0.3524552022717229
Energy: 0.35311005376417853
Energy: 0.35324104130281475
Energy: 0.3524661998186263
Energy: 0.3524208969431877
Energy: 0.5208113182015169
Energy: 0.3524661998175322
Energy: 0.35242089694355244
Energy: 0.5208113182015169
Energy: 0.3524661998182616
Energy: 0.35242089694282297
Energy: 0.5208113182018815
Energy: 0.3524661998171675
Energy: 0.5209277323012246
Energy: 0.3523942009204305
Energy: 0.3524550273315014
Energy: 0.5209277323012246
Energy: 0.352394200925172
Energy: 0.3524550273315014
Energy: 0.5209277323019541
Energy: 0.3523942009204305
Energy: 0.3524550273318661
Energy: 0.5209277323008599
Energy: 0.3530048485055874
Energy: 0.35251103178937865
Energy: 0.35338423291173626
Energy: 0.3530048485048579
Energy: 0.35251103178937865
Energy: 0.3533842329110068
Energy: 0.3530048485048579
Energy: 0.35251103178937865
Energy: 0.3533842329110068
Energy: 0.3530048485059521
Energy: 0.3524192067220456
Energy: 0.35217967896426106
Energy: 0.35232622697328764
Energy: 0.3524192067220456
Energy: 0.3521796789631669
Energy: 0.35232622697401716
Energy: 0.3524192067220456
Energy: 0.35217967896243746
Energy: 0.35232622697401716
Energy: 0.35241920672313976
Energy: 0.3524552022717229
Energy: 0.3531100537652727
Energy: 0.35324104130281475
Energy: 0.3524552022713582
Energy: 0.35311005376381377
Energy: 0.35324104130281475
Energy: 0.3524552022717229
Energy: 0.35311005376636695
Energy: 0.35324104130281475
Energy: 0.3524552022717229

minimum gb energy = 0.35217967896243746 eV
minimum distance =  2.46540860257672 Angstroms
sigma value = 15


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

Energy: 0.41367569021991535
Energy: 0.43285758587842277
Energy: 0.47104423859472117
Energy: 0.409963651752777
Energy: 0.4328573666386847
Energy: 0.47104423859472117
Energy: 0.41367569021991535
Energy: 0.43285748454543826
Energy: 0.47104423859472117
Energy: 0.409963651752777
Energy: 0.5407453160979258
Energy: 0.44813591966857425
Energy: 0.4284045911757382
Energy: 0.5407453160962723
Energy: 0.4481359196652675
Energy: 0.4284045911757382
Energy: 0.5407453160962723
Energy: 0.4481359196652675
Energy: 0.42840459117408497
Energy: 0.5407453160962723
Energy: 0.4257974223832576
Energy: 0.41136597469114505
Energy: 0.5233746838675227
Energy: 0.4257974223832576
Energy: 0.41136597469114505
Energy: 0.5233746838675227
Energy: 0.4257974223832576
Energy: 0.41136597469114505
Energy: 0.5233746838658693
Energy: 0.4257974223832576
Energy: 0.41311909454463785
Energy: 0.4331595075677079
Energy: 0.43318595159313866
Energy: 0.41311909454463785
Energy: 0.43315950756936106
Energy: 0.433185951594792
Energy: 0.41311909454629114
Energy: 0.43315950756936106
Energy: 0.433185951594792
Energy: 0.41311909454298457
Energy: 0.4306040961748834
Energy: 0.4432039828480437
Energy: 0.48852750233595804
Energy: 0.43060409617157674
Energy: 0.4432039828529735
Energy: 0.4885275023376114
Energy: 0.43060409617323003
Energy: 0.4432039828513503
Energy: 0.4885275023326815
Energy: 0.4306040961748834
Energy: 0.4767579056673891
Energy: 0.5370934652318202
Energy: 0.4023276944439325
Energy: 0.4767579056690424
Energy: 0.5370934652334736
Energy: 0.4023276944422793
Energy: 0.47675790566573584
Energy: 0.5370934652318202
Energy: 0.4023276944422793
Energy: 0.47675790566573584
Energy: 0.4276302607311393
Energy: 0.4324408848045056
Energy: 0.49481262448516256
Energy: 0.42868875416334007
Energy: 0.4324408848061589
Energy: 0.49481262448516256
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Energy: 0.4324408848061589
Energy: 0.49481262448516256
Energy: 0.42868875416499347
Energy: 0.4679890198481335
Energy: 0.44513886169207406
Energy: 0.4639194726312704
Energy: 0.4679890198481335
Energy: 0.4451388616904207
Energy: 0.46391947262961714
Energy: 0.4679890198464802
Energy: 0.4451388616887674
Energy: 0.46391947262961714
Energy: 0.4679890198464802
Energy: 0.48418471095483273
Energy: 0.45176637839196415
Energy: 0.4444695784707634
Energy: 0.48418471095317944
Energy: 0.4517663783935874
Energy: 0.44446957846911006
Energy: 0.48418471095317944
Energy: 0.4517663783935874
Energy: 0.4444695784707634
Energy: 0.48418471095483273
Energy: 0.4453650556149761
Energy: 0.48114924520055363
Energy: 0.5063075889425533
Energy: 0.44686034192553464
Energy: 0.4811492452038602
Energy: 0.5063075889409001
Energy: 0.4453650556133228
Energy: 0.48114924520220687
Energy: 0.5063075889425533
Energy: 0.44686034192553464
Energy: 0.48901893279271724
Energy: 0.4038132017807142
Energy: 0.4599946724528421
Energy: 0.48901893279271724
Energy: 0.4038132017807142
Energy: 0.4599946724511888
Energy: 0.4890189327910639
Energy: 0.4038132017807142
Energy: 0.4599946724528421
Energy: 0.48901893279271724
Energy: 0.42905383915229967
Energy: 0.40685867765144984
Energy: 0.47333553756903607
Energy: 0.42905383915395284
Energy: 0.4068617425939412
Energy: 0.47333553756903607
Energy: 0.42905383915064627
Energy: 0.40685867764979655
Energy: 0.47333553756903607
Energy: 0.42905383915229967
Energy: 0.477398117283454
Energy: 0.4136607230953959
Energy: 0.461299634965733
Energy: 0.47739811728183085
Energy: 0.4136607230937425
Energy: 0.461299634965733
Energy: 0.47739811728183085
Energy: 0.4136607230937425
Energy: 0.461299634965733
Energy: 0.47739811728183085
Energy: 0.40162279748454527
Energy: 0.4030059560298581
Energy: 0.4025409659649626
Energy: 0.40162279748619856
Energy: 0.4030059560298581
Energy: 0.4025409659633093
Energy: 0.40162279748619856
Energy: 0.4030059560298581
Energy: 0.4025409659633093
Energy: 0.40162279748454527
Energy: 0.4428036888497563
Energy: 0.4497298538473828
Energy: 0.41557520125712727
Energy: 0.4428036888514095
Energy: 0.4497298538473828
Energy: 0.41727892120974774
Energy: 0.4428036888497563
Energy: 0.44972985384903613
Energy: 0.41557520125712727
Energy: 0.4428036888497563
Energy: 0.4183598975805892
Energy: 0.4709978021553086
Energy: 0.45858648339647956
Energy: 0.4183598975805892
Energy: 0.47099780215696196
Energy: 0.45858648339647956
Energy: 0.4183598975805892
Energy: 0.47099780215696196
Energy: 0.45858648339647956
Energy: 0.4183598975805892
Energy: 0.4138184223873104
Energy: 0.5312229871579861
Energy: 0.44998015056156065
Energy: 0.41381842238565714
Energy: 0.5312229871579861
Energy: 0.44998015056321394
Energy: 0.4138184223840038
Energy: 0.5312229871563326
Energy: 0.44998015056156065
Energy: 0.41381842238565714
Energy: 0.5094179840052879
Energy: 0.4602760635206936
Energy: 0.47412472206653794
Energy: 0.5094179840036347
Energy: 0.4602760635190402
Energy: 0.47412472206819123
Energy: 0.5094179840052879
Energy: 0.4602760635223469
Energy: 0.47412472206819123
Energy: 0.5094179840052879
Energy: 0.4323187265540737
Energy: 0.4259464576261111
Energy: 0.45235013897209536
Energy: 0.4323187265540737
Energy: 0.4259464576277644
Energy: 0.45235013897044196
Energy: 0.4323187265524204
Energy: 0.42594645762445776
Energy: 0.45235013897209536
Energy: 0.4323187265540737
Energy: 0.49348375660228677
Energy: 0.42131485719559764
Energy: 0.4264789628036877
Energy: 0.4934837566006335
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Energy: 0.39666771168610376
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Energy: 0.4363237359201826
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Energy: 0.4230531832835948
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Energy: 0.4230531832835948
Energy: 0.4062053835097327
Energy: 0.4904579596900338
Energy: 0.423053183285248
Energy: 0.4520212705476387
Energy: 0.4767675651947848
Energy: 0.4533586528339392
Energy: 0.452021270549292
Energy: 0.476767565196438
Energy: 0.45335865283559257
Energy: 0.452021270549292
Energy: 0.4767675651947848
Energy: 0.4533586528339392
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Energy: 0.4712548924650593
Energy: 0.4022717657523972
Energy: 0.48105392153243937
Energy: 0.47125489246671254
Energy: 0.40227150122861133
Energy: 0.48105392153243937
Energy: 0.47125489246671254
Energy: 0.4022717657540505
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Energy: 0.4668083987420726
Energy: 0.41729782301198365
Energy: 0.44411128210179807
Energy: 0.4668083987420726
Energy: 0.4172978230136369
Energy: 0.44411128210179807
Energy: 0.4668083987420726
Energy: 0.41729782301694357
Energy: 0.4441112821034514
Energy: 0.4668083987437258
Energy: 0.509929105588603
Energy: 0.4265407379976784
Energy: 0.4173648646886226
Energy: 0.5099291055902564
Energy: 0.4265407379993317
Energy: 0.41735276493644496
Energy: 0.509929105588603
Energy: 0.4265407379976784
Energy: 0.4173648646886226
Energy: 0.5099291055869497
Energy: 0.3966914283391144
Energy: 0.41577738737312586
Energy: 0.4544436401047419
Energy: 0.39669142834242105
Energy: 0.41577738737643244
Energy: 0.4544436401047419
Energy: 0.3966914283407677
Energy: 0.4157773873747792
Energy: 0.4544436401030886
Energy: 0.3966914283407677
Energy: 0.4377385633714611
Energy: 0.42462116761352986
Energy: 0.4568260382663809
Energy: 0.4377385633714611
Energy: 0.42462116761352986
Energy: 0.4568260382663809
Energy: 0.4377385633731143
Energy: 0.42462116761352986
Energy: 0.4568260382663809
Energy: 0.4377385633698077

minimum gb energy = 0.3966677116844505 eV
minimum distance =  2.41661557436952 Angstroms
sigma value = 437


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

Energy: 0.46452880019829834
Energy: 0.519307095165314
Energy: 0.5192230078530188
Energy: 0.46452880019829834
Energy: 0.519307095165314
Energy: 0.5192230078518141
Energy: 0.46452880019890064
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Energy: 0.5192230078524165
Energy: 0.46452880019829834
Energy: 0.47460623381573724
Energy: 0.4623542218146037
Energy: 0.5045572868762765
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Energy: 0.4833417113845133
Energy: 0.473833658330963
Energy: 0.4806142879845925
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Energy: 0.4544411076462601
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Energy: 0.5091495707274949
Energy: 0.4544411076468625
Energy: 0.4516730411952334
Energy: 0.47080180580322
Energy: 0.4581576995021088
Energy: 0.495884357277914
Energy: 0.4708018058026177
Energy: 0.4581576995021088
Energy: 0.4958843572773116
Energy: 0.47080180580322
Energy: 0.4581576995021088
Energy: 0.495884357277914
Energy: 0.4708018058020154
Energy: 0.4864862017896255
Energy: 0.4775892140758224
Energy: 0.46738078588626086
Energy: 0.4864862017896255
Energy: 0.4775892140758224
Energy: 0.46738078588626086
Energy: 0.4864862017896255
Energy: 0.47758921407642474
Energy: 0.46738078588626086
Energy: 0.4864862017896255
Energy: 0.46375607844551026
Energy: 0.4638386522723922
Energy: 0.5345710703634825
Energy: 0.46375607844551026
Energy: 0.4638386522723922
Energy: 0.5345710703634825
Energy: 0.46375607844551026
Energy: 0.4638386522729945
Energy: 0.5345710703634825
Energy: 0.4637560784449079
Energy: 0.4573186935376175
Energy: 0.459048123882422
Energy: 0.525188105967389
Energy: 0.45731869353882226
Energy: 0.45904812388181976
Energy: 0.5251881059679913
Energy: 0.4573186935382199
Energy: 0.459048123882422
Energy: 0.5251881059679913
Energy: 0.45731869353882226
Energy: 0.5107679571662906
Energy: 0.46065558892150826
Energy: 0.5286292493771797
Energy: 0.5107679571656885
Energy: 0.4606555889209059
Energy: 0.5286292493777821
Energy: 0.5107679571662906
Energy: 0.46065558892150826
Energy: 0.5286292493759752
Energy: 0.5107679571662906
Energy: 0.4799319283206252
Energy: 0.4201364858408345
Energy: 0.48056591990438113
Energy: 0.4799319283200229
Energy: 0.42013648584143687
Energy: 0.48056591990558584
Energy: 0.4799319283206252
Energy: 0.42013648584143687
Energy: 0.48056591990438113
Energy: 0.4799319283200229
Energy: 0.4516147923730341
Energy: 0.4451602956708733
Energy: 0.5116215442179936
Energy: 0.4516147923730341
Energy: 0.44516029567147564
Energy: 0.5116215442179936
Energy: 0.4516147923730341
Energy: 0.4451602956708733
Energy: 0.5116215442179936
Energy: 0.4516147923736365

minimum gb energy = 0.4201364858408345 eV
minimum distance =  2.45155625717509 Angstroms
sigma value = 33