Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_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=3.521391749382019
cohesive_energy=4.450349977833563
mass=58.6934
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: 0.02052260693923042
Energy: 0.5148136619594534
Energy: 0.5148136619594534
Energy: 0.02052260693923042
Energy: 0.5148136619579301
Energy: 0.5148136619594534
Energy: 0.02052260693923042
Energy: 0.5148136619594534
Energy: 0.5148136619594534
Energy: 0.02052260693923042
Energy: 0.5122412472589265
Energy: 0.024071540868418752
Energy: 0.5122404061170444
Energy: 0.5122412472589265
Energy: 0.024071540868418752
Energy: 0.5122404061170444
Energy: 0.5122412472589265
Energy: 0.024071540868418752
Energy: 0.5122404061170444
Energy: 0.5122412472589265
Energy: 1.0747137542056453
Energy: 0.2642804810993
Energy: 1.0901311798477373
Energy: 1.0116835060772484
Energy: 0.02099578527030908
Energy: 1.0901311798477373
Energy: 1.7945381273475858
Energy: 0.02099578527030908
Energy: 1.0901311798477373
Energy: 1.6326522588509587
Energy: 0.5122412472589265
Energy: 0.5122404061170444
Energy: 0.024071540868418752
Energy: 0.5122412472589265
Energy: 0.5122404061170444
Energy: 0.024071540868418752
Energy: 0.5122412472589265
Energy: 0.5122404061170444
Energy: 0.024071540868418752
Energy: 0.5122412472589265
Energy: 0.02052260693923042
Energy: 0.5148136619594534
Energy: 0.5148136619594534
Energy: 0.02052260693923042
Energy: 0.5148136619594534
Energy: 0.5148136619594534
Energy: 0.02052260693923042
Energy: 0.5148136619594534
Energy: 0.5148136619594534
Energy: 0.02052260693923042
Energy: 0.5122412472589265
Energy: 0.024071540868418752
Energy: 0.5122404061170444
Energy: 0.5122412472574032
Energy: 0.024071540866895367
Energy: 0.5122404061170444
Energy: 0.5122412472589265
Energy: 0.024071540868418752
Energy: 0.5122404061170444
Energy: 0.5122412472589265
Energy: 1.2623693987496842
Energy: 0.02099578527030908
Energy: 0.31147524422772543
Energy: 1.2623020859701999
Energy: 0.02099578527030908
Energy: 0.31147524422772543
Energy: 1.2624612437719016
Energy: 0.02099578527030908
Energy: 0.31147524422772543
Energy: 1.262334593405088

minimum gb energy = 0.02052260693923042 eV
minimum distance =  2.28305896108203 Angstroms
sigma value = 3


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

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Energy: 1.7027707560240766
Energy: 1.7037543162929525
Energy: 1.400457336328396
Energy: 1.702770756020345
Energy: 1.7037543162929525
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Energy: 1.702770756020345
Energy: 1.703754316296684
Energy: 1.400457336328396
Energy: 1.5040082917888655
Energy: 1.4362821472278164
Energy: 1.6770247806814338
Energy: 1.5040082919604472
Energy: 1.4362821472240848
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Energy: 1.6770247806814338
Energy: 1.5040082921282294
Energy: 1.6371547207569146
Energy: 1.8090475083740165
Energy: 1.7499587249836441
Energy: 1.5763846373719514
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Energy: 1.7010199843068448
Energy: 1.7037833038043522
Energy: 1.3448190846329386
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Energy: 1.2857565255763628
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Energy: 1.354833657444762
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Energy: 1.4779819343739002
Energy: 1.766093348334447
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Energy: 1.4779819343739002
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Energy: 1.6755501725848643
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Energy: 1.6011506892722147
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Energy: 1.798741636978901
Energy: 1.4587249507410616
Energy: 1.3531010387735312
Energy: 1.7987416369751696
Energy: 1.4591461670368222
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Energy: 1.458724950744793
Energy: 1.3531010387697997
Energy: 1.798741636978901
Energy: 1.2856845133135324
Energy: 1.6540249066659765
Energy: 1.719478578808983
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Energy: 1.6544889712238386
Energy: 1.7193076966463126
Energy: 1.2856845133098007
Energy: 1.654024906662245
Energy: 1.719478578808983
Energy: 1.2856845133098007
Energy: 1.6878674045292366
Energy: 1.3451350908937498
Energy: 1.6826649561609424
Energy: 1.6878674045292366
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Energy: 1.6878674045329682
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Energy: 1.6826649561609424
Energy: 1.6878674045329682
Energy: 1.464065991405302
Energy: 1.7741118063151289
Energy: 1.621950309582371
Energy: 1.4640659914090335
Energy: 1.7741118063188606
Energy: 1.6219503095861028
Energy: 1.4640659914090335
Energy: 1.7741118063151289
Energy: 1.6219503095861028
Energy: 1.464065991405302
Energy: 1.46166394967909
Energy: 1.660351724174963
Energy: 1.4325372943842174
Energy: 1.4616639496753585
Energy: 1.660351724174963
Energy: 1.437046300776549
Energy: 1.4616639496753585
Energy: 1.6603517241675
Energy: 1.4325372943804857
Energy: 1.4616639496753585
Energy: 1.470342242869872
Energy: 1.7027707560240766
Energy: 1.7037543162929525
Energy: 1.4084778885271059
Energy: 1.702770756020345
Energy: 1.703754316296684
Energy: 1.470342242869872
Energy: 1.7027707560240766
Energy: 1.703754316296684
Energy: 1.4084778885233742
Energy: 1.5040082921692761
Energy: 1.4362821472278164
Energy: 1.6770247806814338
Energy: 1.5040082923184686
Energy: 1.4362821472240848
Energy: 1.6770247806814338
Energy: 1.5040082922177855
Energy: 1.4362821472240848
Energy: 1.6770247806814338
Energy: 1.504008292516171
Energy: 1.637089088113409
Energy: 1.8090475083740165
Energy: 1.7499587249836441
Energy: 1.6204383147554189
Energy: 1.8090475083740165
Energy: 1.7499587249836441
Energy: 1.6370890881171407
Energy: 1.8090475083777477
Energy: 1.7499587249836441
Energy: 1.6204383147628818
Energy: 1.7010199843105762
Energy: 1.7037833038043522
Energy: 1.3448190846329386
Energy: 1.7010199843143077
Energy: 1.7037833038080838
Energy: 1.3448190846329386
Energy: 1.7010199843105762
Energy: 1.7037833038043522
Energy: 1.3448190846366703
Energy: 1.7010199843105762

minimum gb energy = 1.2856845133098007 eV
minimum distance =  2.21563700384013 Angstroms
sigma value = 75


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

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Energy: 1.369436259937748
Energy: 1.3680603947894325
Energy: 1.5666227028899753
Energy: 1.369436259937748
Energy: 1.3680603947894325
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minimum gb energy = 1.3555134636170845 eV
minimum distance =  2.21287173228215 Angstroms
sigma value = 105


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

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Energy: 1.6664214736703253
Energy: 1.6817884691310696
Energy: 1.559379904083526
Energy: 1.6664214736703253
Energy: 1.6817884691331237
Energy: 1.5593550877265119
Energy: 1.6664214736703253
Energy: 1.8096610609423105
Energy: 1.6546608618417302
Energy: 1.6914730253093528
Energy: 1.811852437855039
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Energy: 1.6914730253093528
Energy: 1.8096610609443644
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Energy: 1.6914730253093528
Energy: 1.8118524378509309
Energy: 1.7878368684962482
Energy: 1.7040182059514042
Energy: 1.7065213234417083
Energy: 1.767920271182045
Energy: 1.7040182059514042
Energy: 1.6326363057388995
Energy: 1.7878368684983024
Energy: 1.70401820594935
Energy: 1.7065213234417083
Energy: 1.7679202711840991
Energy: 1.611701991990463
Energy: 1.4810339507013597
Energy: 1.6106208886296405
Energy: 1.6117019919884088
Energy: 1.4810339506972512
Energy: 1.6106208886255322
Energy: 1.6117019919925168
Energy: 1.4810339506972512
Energy: 1.6106208886255322
Energy: 1.6117019919925168
Energy: 1.7810928520770957
Energy: 1.7611683016297823
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Energy: 1.7810928520750415
Energy: 1.7611683016297823
Energy: 1.6791778085440425
Energy: 1.7810928520770957
Energy: 1.7611683016318362
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Energy: 1.6453905735524617
Energy: 1.6831064248212868
Energy: 1.6616219056016663
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Energy: 1.6831064248212868
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Energy: 1.6831064248192327
Energy: 1.6616219055996122
Energy: 1.6453905735504075
Energy: 1.5234600615319243
Energy: 1.7700471862817888
Energy: 1.8264302448669587
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Energy: 1.8264302448669587
Energy: 1.5234600615319243
Energy: 1.7700471862838432
Energy: 1.8264302448649044
Energy: 1.5234473826736161
Energy: 1.801451543929806
Energy: 1.5402146335984643
Energy: 1.653977444880418
Energy: 1.8014515439339143
Energy: 1.5402146335984643
Energy: 1.6539774448270481
Energy: 1.8014515439339143
Energy: 1.540214633600481
Energy: 1.6539774448414268
Energy: 1.801451543929806
Energy: 1.6196812194970005
Energy: 1.6453262869447243
Energy: 1.6799280481307488
Energy: 1.6230431164238952
Energy: 1.6453262869447243
Energy: 1.6799280481307488
Energy: 1.6196812194949834
Energy: 1.6453262869467786
Energy: 1.6799280481307488
Energy: 1.6230431164238952
Energy: 1.652126058547627
Energy: 1.6523033183769427
Energy: 1.5003133850689616
Energy: 1.6522041624018484
Energy: 1.6523308228827087
Energy: 1.5003133850710157
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Energy: 1.6523033183769427
Energy: 1.5003133850710157
Energy: 1.6522041624018484
Energy: 1.7871652258440691
Energy: 1.6808269997598606
Energy: 1.6999238335644276
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Energy: 1.6808269997598606
Energy: 1.6999238335623736
Energy: 1.7871652258440691
Energy: 1.6808269997598606
Energy: 1.6999238335603195
Energy: 1.787165225842015
Energy: 1.6785242906989974
Energy: 1.6775469764156614
Energy: 1.71721981073752
Energy: 1.6785242906969433
Energy: 1.6775469764156614
Energy: 1.7172198107334118
Energy: 1.6785242906989974
Energy: 1.6775469764156614
Energy: 1.7172198107334118
Energy: 1.6785242906989974
Energy: 1.6899776706522533
Energy: 1.6740659802645503
Energy: 1.6600936327329787
Energy: 1.6899776706501994
Energy: 1.6543755304021326
Energy: 1.6791767173443077
Energy: 1.6899776706501994
Energy: 1.6740659802645503
Energy: 1.6789946508068097
Energy: 1.6899776706501994
Energy: 1.6873620612654148
Energy: 1.6966223486754295
Energy: 1.5575100990193602
Energy: 1.6873620612633606
Energy: 1.6966223486733751
Energy: 1.5575100990214146
Energy: 1.6873620612654148
Energy: 1.6966223486733751
Energy: 1.5575100990214146
Energy: 1.6873620612654148
Energy: 1.6799910659956423
Energy: 1.6149850284564617
Energy: 1.6863434774760229
Energy: 1.6799910659956423
Energy: 1.6149850284585159
Energy: 1.6863434774739687
Energy: 1.6799910659956423
Energy: 1.61498502846057
Energy: 1.6863434774739687
Energy: 1.6799910659956423
Energy: 1.6202075284035937
Energy: 1.6517694164777732
Energy: 1.6531453200241004
Energy: 1.6202075284015398
Energy: 1.6517694164777732
Energy: 1.6531453200241004
Energy: 1.6202075284035937
Energy: 1.6517694164777732
Energy: 1.6531453200220463
Energy: 1.6202075284015398
Energy: 1.6096755623345602
Energy: 1.654981673868271
Energy: 1.6443680109391192
Energy: 1.6096755623366146
Energy: 1.6548085024022168
Energy: 1.6443680109391192
Energy: 1.6096755623366146
Energy: 1.654981673868271
Energy: 1.6443680109391192
Energy: 1.6096755623366146
Energy: 1.742856338390454
Energy: 1.6746535726987881
Energy: 1.7070371382306861
Energy: 1.742856338392508
Energy: 1.6750327743497684
Energy: 1.7070371382327403
Energy: 1.742856338394562
Energy: 1.6746535727008425
Energy: 1.7070371382306861
Energy: 1.742856338392508
Energy: 1.5273561334524193
Energy: 1.6535194846102443
Energy: 1.5210210043787038
Energy: 1.5273561334524193
Energy: 1.6535194846102443
Energy: 1.5210210043766499
Energy: 1.527356133450365
Energy: 1.6535194846102443
Energy: 1.5210210043745955
Energy: 1.5273561334524193
Energy: 1.6991583989030825
Energy: 1.8051304305061877
Energy: 1.642578515228007
Energy: 1.6991583989051364
Energy: 1.7936750481036
Energy: 1.642578515228007
Energy: 1.6991583989071908
Energy: 1.8051304305041336
Energy: 1.642578515228007
Energy: 1.6991583989051364
Energy: 1.6884850708802686
Energy: 1.6878728457159722
Energy: 1.6459127980523838
Energy: 1.6884850708802686
Energy: 1.6808113233698514
Energy: 1.645912798056492
Energy: 1.6884850708782144
Energy: 1.6878728457159722
Energy: 1.6459127980790873
Energy: 1.6884850708802686
Energy: 1.68244292245914
Energy: 1.559328753450212
Energy: 1.68189994406005
Energy: 1.6824429224611943
Energy: 1.5593324003572597
Energy: 1.68189994406005
Energy: 1.68244292245914
Energy: 1.559328753448158
Energy: 1.6818999440579958
Energy: 1.682442922457086

minimum gb energy = 1.4810339506972512 eV
minimum distance =  2.19127545736275 Angstroms
sigma value = 165


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

Energy: 1.5082354166054035
Energy: 1.6372552656607327
Energy: 1.6344674383977564
Energy: 1.4499245345139675
Energy: 1.637255265662143
Energy: 1.6344674384125655
Energy: 1.508235416606109
Energy: 1.6372552656635535
Energy: 1.6344674381919693
Energy: 1.4499245345139675
Energy: 1.7053081484471218
Energy: 1.4477019667955182
Energy: 1.7285548031336186
Energy: 1.7053081484478267
Energy: 1.4477019667955182
Energy: 1.728554803142081
Energy: 1.7053081484471218
Energy: 1.4477019667955182
Energy: 1.7285548031223354
Energy: 1.7053081484464163
Energy: 1.5671160941775952
Energy: 1.6496963423025484
Energy: 1.4621036979574096
Energy: 1.5671160941768902
Energy: 1.6496963423039588
Energy: 1.4624944290873585
Energy: 1.5671160941775952
Energy: 1.6496963423032538
Energy: 1.4621036979574096
Energy: 1.5671160941775952
Energy: 1.7392270608367437
Energy: 1.7967353806933068
Energy: 1.4683376613731396
Energy: 1.7392270608367437
Energy: 1.7967353806940118
Energy: 1.4683376613717933
Energy: 1.7392270608360387
Energy: 1.796735380694717
Energy: 1.4683376613731396
Energy: 1.7392270608360387
Energy: 1.6266367967984967
Energy: 1.6436407467657987
Energy: 1.5611158032887595
Energy: 1.6266367967999074
Energy: 1.6436407467672092
Energy: 1.5611158032880543
Energy: 1.6266367967999074
Energy: 1.6436407467665042
Energy: 1.5611158032887595
Energy: 1.626636796799202
Energy: 1.44755996888873
Energy: 1.8127291415584204
Energy: 1.7362126379524483
Energy: 1.447559968888025
Energy: 1.8127291415584204
Energy: 1.7362126379538587
Energy: 1.4475599688873195
Energy: 1.8127291415570101
Energy: 1.736212637954564
Energy: 1.447559968888025
Energy: 1.6294008152776902
Energy: 1.6262427573755116
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Energy: 1.6294008152790362
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Energy: 1.8031467505682237
Energy: 1.6294008152790362
Energy: 1.6262427573748064
Energy: 1.8031467505675187
Energy: 1.6294008152769852
Energy: 1.7082539158908134
Energy: 1.6050926601847042
Energy: 1.6321235058149803
Energy: 1.7082539158922239
Energy: 1.6050926602016284
Energy: 1.6321235058149803
Energy: 1.7082539158922239
Energy: 1.6050926601783575
Energy: 1.6321235058156858
Energy: 1.7082539158915186
Energy: 1.6335885643931949
Energy: 1.7649482364711098
Energy: 1.626246495275252
Energy: 1.6335885643931949
Energy: 1.7649482364725204
Energy: 1.6263253250408796
Energy: 1.6335885643946053
Energy: 1.7649482364732254
Energy: 1.6262464952731364
Energy: 1.6335885643939
Energy: 1.5712151190307486
Energy: 1.7362785039446698
Energy: 1.8134025676337986
Energy: 1.5130828129834402
Energy: 1.7362785039467854
Energy: 1.8134025676345038
Energy: 1.5712151190314538
Energy: 1.7362785039467854
Energy: 1.813402567635209
Energy: 1.5130828129841454
Energy: 1.5818062296931534
Energy: 1.5609271107983576
Energy: 1.756916733791847
Energy: 1.5602143975210407
Energy: 1.5609271107969473
Energy: 1.6682951211732002
Energy: 1.5818062296931534
Energy: 1.5609271107976523
Energy: 1.7569167337932572
Energy: 1.5602143975231562
Energy: 1.7343692786927392
Energy: 1.4687090704440773
Energy: 1.7344102377441133
Energy: 1.734369278691329
Energy: 1.4687090704440773
Energy: 1.7344102377434083
Energy: 1.7343692786892133
Energy: 1.4687090704447825
Energy: 1.7344102377434083
Energy: 1.734369278692034
Energy: 1.623795005151615
Energy: 1.4612478644986304
Energy: 1.6624060599323234
Energy: 1.6237950051523204
Energy: 1.4612478645000408
Energy: 1.6624060599323234
Energy: 1.623795005151615
Energy: 1.4612478644993356
Energy: 1.6624060599330286
Energy: 1.62379500515091
Energy: 1.641417097711619
Energy: 1.6367311448226205
Energy: 1.4474501280370107
Energy: 1.641417097710914
Energy: 1.636731144821915
Energy: 1.447450128038421
Energy: 1.641417097710914
Energy: 1.6367311448197994
Energy: 1.4474501280370107
Energy: 1.6414170977102085
Energy: 1.449924534514673
Energy: 1.637255265662848
Energy: 1.6344674384104498
Energy: 1.4499245345139675
Energy: 1.637255265662848
Energy: 1.634467438476738
Energy: 1.449924534514673
Energy: 1.637255265662848
Energy: 1.6344674384442992
Energy: 1.4499245345139675

minimum gb energy = 1.4474501280370107 eV
minimum distance =  2.28317826428776 Angstroms
sigma value = 41


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

Energy: 1.4793322846332735
Energy: 1.4906220157518677
Energy: 1.490379628779881
Energy: 1.4793322846332735
Energy: 1.4906220157518677
Energy: 1.490379628779881
Energy: 1.4793322846332735
Energy: 1.4906220157518677
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Energy: 1.4793322846332735
Energy: 1.3807520083128597
Energy: 1.2766087293118928
Energy: 1.443456176693686
Energy: 1.380752008315596
Energy: 1.2766087293118928
Energy: 1.4434561766909497
Energy: 1.3807520083128597
Energy: 1.2766087293118928
Energy: 1.443456176693686
Energy: 1.380752008315596
Energy: 1.4440394451540726
Energy: 1.3696804076462847
Energy: 1.4111822669924572
Energy: 1.467893237144458
Energy: 1.3696804076462847
Energy: 1.3905999742456443
Energy: 1.4535223639680472
Energy: 1.3696804076462847
Energy: 1.3905999742429083
Energy: 1.467893237144458
Energy: 1.3411953818084015
Energy: 1.3391423920384147
Energy: 1.3020147087798282
Energy: 1.3411953818056652
Energy: 1.3391423920384147
Energy: 1.302014708777092
Energy: 1.3411953818084015
Energy: 1.3391423920384147
Energy: 1.302014708777092
Energy: 1.3411953818056652
Energy: 1.361550773085868
Energy: 1.6594749416276255
Energy: 1.3039624208911995
Energy: 1.361550773085868
Energy: 1.6594749416276255
Energy: 1.3039624208911995
Energy: 1.361550773085868
Energy: 1.6594749416276255
Energy: 1.3039624208911995
Energy: 1.361550773085868
Energy: 1.2834345196605768
Energy: 1.4886950348049262
Energy: 1.4901434784981238
Energy: 1.2834345196633128
Energy: 1.4886950348021901
Energy: 1.4901434785008598
Energy: 1.2834345196605768
Energy: 1.4886950348049262
Energy: 1.490143478503596
Energy: 1.2834345196633128
Energy: 1.3348947270269038
Energy: 1.4952650247468418
Energy: 1.480828004256852
Energy: 1.3348947270241678
Energy: 1.4952650247495776
Energy: 1.480828004256852
Energy: 1.3348947270269038
Energy: 1.4952650247495776
Energy: 1.480828004256852
Energy: 1.3348947270241678
Energy: 1.376460899102259
Energy: 1.3572533217205947
Energy: 1.4978234279634535
Energy: 1.376460899107731
Energy: 1.3572533217205947
Energy: 1.4978234279607174
Energy: 1.3764608991049951
Energy: 1.3572533217205947
Energy: 1.4978234279607174
Energy: 1.3764608991186753
Energy: 1.5162395967231534
Energy: 1.6994657564256754
Energy: 1.4785974472558265
Energy: 1.5162395967231534
Energy: 1.6994657564256754
Energy: 1.4785974472558265
Energy: 1.5162395967231534
Energy: 1.6994657564311475
Energy: 1.4785974472558265
Energy: 1.5162395967231534
Energy: 1.305881277966804
Energy: 1.457622985395936
Energy: 1.3608404863464647
Energy: 1.305881277966804
Energy: 1.457622985395936
Energy: 1.3608404863464647
Energy: 1.3058812779640683
Energy: 1.457622985395936
Energy: 1.3608404863464647
Energy: 1.305881277966804
Energy: 1.3016977888411057
Energy: 1.295833345194448
Energy: 1.2960762933165162
Energy: 1.3016977888438415
Energy: 1.2958333451917121
Energy: 1.2960762933165162
Energy: 1.3016977888411057
Energy: 1.2958333451917121
Energy: 1.2960762933137802
Energy: 1.3016977888438415
Energy: 1.305300104237206
Energy: 1.5234943684168467
Energy: 1.446157799599103
Energy: 1.305300104237206
Energy: 1.5234943684168467
Energy: 1.446157799599103
Energy: 1.305300104237206
Energy: 1.5234943684168467
Energy: 1.446157799599103
Energy: 1.305300104239942
Energy: 1.5165373913076128
Energy: 1.276938468856552
Energy: 1.5427978561858946
Energy: 1.51653739135139
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Energy: 1.5427978561858946
Energy: 1.5165373913240292
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Energy: 1.51653739135139
Energy: 1.499787540163036
Energy: 1.479887628930388
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Energy: 1.499787540163036
Energy: 1.479887628930388
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Energy: 1.479887628930388
Energy: 1.2760679032084317
Energy: 1.499787540163036
Energy: 1.276795628282865
Energy: 1.4842536207434494
Energy: 1.3334405110258616
Energy: 1.276795628282865
Energy: 1.4842536207434494
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Energy: 1.2767956282801292
Energy: 1.4842536207434494
Energy: 1.3334405110285976
Energy: 1.276795628282865
Energy: 1.3717467576197715
Energy: 1.4549715526112579
Energy: 1.4855406665861277
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Energy: 1.4549715526112579
Energy: 1.4855406665861277
Energy: 1.3717467576197715
Energy: 1.4549715526112579
Energy: 1.4855406665861277
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Energy: 1.371737648054649
Energy: 1.4712672780971565
Energy: 1.3602751178451296
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Energy: 1.360396487184143
Energy: 1.468224703557975
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Energy: 1.468224703557975
Energy: 1.3367679507169694
Energy: 1.3603964871868788
Energy: 1.468224703557975
Energy: 1.3367679507142334
Energy: 1.360396487184143
Energy: 1.5254112358378322
Energy: 1.4473344996322113
Energy: 1.2788376649578026
Energy: 1.5254112358460403
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Energy: 1.5254112358433045
Energy: 1.4581425868088802
Energy: 1.2788376649578026
Energy: 1.513286683665336
Energy: 1.334107764397256
Energy: 1.482923932005487
Energy: 1.4240488391323582
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Energy: 1.4779528165537175
Energy: 1.4895095218912575
Energy: 1.2749982498696801
Energy: 1.4779528165537175
Energy: 1.4895095218912575
Energy: 1.2749982498696801
Energy: 1.4779528165537175
Energy: 1.4895095218939938
Energy: 1.2749982498696801
Energy: 1.5427895663084321
Energy: 1.2755418683664155
Energy: 1.5174859677434864
Energy: 1.5427895663056959
Energy: 1.2755418683691515
Energy: 1.5174859676997092
Energy: 1.5427895663056959
Energy: 1.2755418683664155
Energy: 1.5174859677024455
Energy: 1.5427895663056959
Energy: 1.2756211000651492
Energy: 1.5225467817907148
Energy: 1.386430451716358
Energy: 1.2756211000624131
Energy: 1.5225467817907148
Energy: 1.386430451713622
Energy: 1.2756211000569408
Energy: 1.5225467817907148
Energy: 1.386430451716358
Energy: 1.2756211000624131
Energy: 1.2957318430247637
Energy: 1.2960181296215514
Energy: 1.3025710187623911
Energy: 1.2957318430247637
Energy: 1.2960181296215514
Energy: 1.3025710187596549
Energy: 1.2957318430274996
Energy: 1.2960181296215514
Energy: 1.3025710187596549
Energy: 1.2957318430247637
Energy: 1.3691178123721508
Energy: 1.6689217934106053
Energy: 1.3041863848353765
Energy: 1.369117812374887
Energy: 1.6689217934078695
Energy: 1.3041863848326403
Energy: 1.3691178123721508
Energy: 1.6689217934078695
Energy: 1.3041863848353765
Energy: 1.3691178123721508
Energy: 1.4888068140881496
Energy: 1.494213483815545
Energy: 1.5168586625578364
Energy: 1.4888068140854134
Energy: 1.494213483815545
Energy: 1.5168586625551004
Energy: 1.4888068140881496
Energy: 1.494213483812809
Energy: 1.5168586625578364
Energy: 1.4888068140881496
Energy: 1.3767911711438519
Energy: 1.2777385200057667
Energy: 1.4441652683719215
Energy: 1.3767911711438519
Energy: 1.2777385200057667
Energy: 1.4441652683719215
Energy: 1.3767911711438519
Energy: 1.2777385200057667
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Energy: 1.4206139118056786
Energy: 1.5396084575186386
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Energy: 1.4206139118029426
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Energy: 1.4206139118056786
Energy: 1.5396084575186386
Energy: 1.275091148968142
Energy: 1.4206139118029426
Energy: 1.4887296533750811
Energy: 1.488804778502451
Energy: 1.276269727140069
Energy: 1.4887296533750811
Energy: 1.4888047810076035
Energy: 1.276269727140069
Energy: 1.4887296533750811
Energy: 1.4888047739844905
Energy: 1.2762697271373329
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Energy: 1.3069071137485022
Energy: 1.6581870316995557
Energy: 1.3614177900648599
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Energy: 1.6581870316968195
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Energy: 1.6581870316995557
Energy: 1.3614177900675961
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Energy: 1.3754739870132002
Energy: 1.3390992337938916
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Energy: 1.3754739870132002
Energy: 1.4294688563134315
Energy: 1.541717197852784
Energy: 1.4164329494797798
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Energy: 1.541717197852784
Energy: 1.4164329494797798
Energy: 1.4294688563134315
Energy: 1.541717197852784
Energy: 1.4164329494825159
Energy: 1.4294688563134315
Energy: 1.4434340819732268
Energy: 1.277040873180912
Energy: 1.3823038009546857
Energy: 1.4434340819732268
Energy: 1.277040873180912
Energy: 1.3823038009519495
Energy: 1.4434340819759628
Energy: 1.277040873180912
Energy: 1.3823038009546857
Energy: 1.4434340819732268
Energy: 1.498896863748583
Energy: 1.375940034329436
Energy: 1.4803736199238413
Energy: 1.498896863748583
Energy: 1.375940034329436
Energy: 1.480373619921105
Energy: 1.498896863748583
Energy: 1.375940034329436
Energy: 1.4803736199238413
Energy: 1.498896863748583
Energy: 1.2765445967271427
Energy: 1.6484220945707406
Energy: 1.4071352837837194
Energy: 1.2765445967244067
Energy: 1.6484220945680048
Energy: 1.4071352837837194
Energy: 1.2765445967271427
Energy: 1.6484220945680048
Energy: 1.4071352837837194
Energy: 1.2765445967244067
Energy: 1.3080438468995028
Energy: 1.2959156469953812
Energy: 1.295354015341952
Energy: 1.3080438468995028
Energy: 1.2959156469981172
Energy: 1.295354015341952
Energy: 1.3080438468995028
Energy: 1.2959156469953812
Energy: 1.295354015341952
Energy: 1.3080438468995028
Energy: 1.2965452022126691
Energy: 1.3043337984386494
Energy: 1.3414028591661642
Energy: 1.2965452022126691
Energy: 1.3043337984386494
Energy: 1.3414028591634282
Energy: 1.2965452022154054
Energy: 1.3043337984386494
Energy: 1.3414028591634282
Energy: 1.2965452022126691
Energy: 1.6894483789069572
Energy: 1.3020118852556632
Energy: 1.3991285876734256
Energy: 1.6894483789069572
Energy: 1.3020118852556632
Energy: 1.3991285876706894
Energy: 1.6894483789069572
Energy: 1.3020118852556632
Energy: 1.3991285876706894
Energy: 1.6894483789069572
Energy: 1.4890521300679957
Energy: 1.4441049048545784
Energy: 1.2791271130641124
Energy: 1.4890521258070775
Energy: 1.4441049048545784
Energy: 1.2791271130641124
Energy: 1.489052130171917
Energy: 1.4441049048545784
Energy: 1.2791271130641124
Energy: 1.4890521307845

minimum gb energy = 1.2749982498696801 eV
minimum distance =  2.21790943751432 Angstroms
sigma value = 185


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

Energy: 1.2003751460943617
Energy: 0.7066167203357872
Energy: 0.7064627006233173
Energy: 0.8790304272637645
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Energy: 0.7064627006216639
Energy: 1.2003751460930627
Energy: 0.7066167203367318
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Energy: 0.8790304272637645
Energy: 1.0716801593427157
Energy: 0.6948002172013692
Energy: 0.9279509558659982
Energy: 0.9999608442908271
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Energy: 1.040190572661155
Energy: 1.0716801593417116
Energy: 0.6948002172007197
Energy: 0.9279509558672973
Energy: 0.9999608442888783
Energy: 0.8759829602453818
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Energy: 0.9445163741757809
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Energy: 0.8791944034285598
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Energy: 0.9800837711706943
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Energy: 0.7693511084984537
Energy: 0.9225954514048927
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Energy: 0.9261275159504717
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Energy: 0.9225954514055423
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Energy: 0.9261275159511213
Energy: 0.6586318780094491
Energy: 0.7066167203367318
Energy: 0.7064627006229631
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Energy: 0.7064627006242623
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Energy: 0.9259473794157425
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Energy: 0.9225602100893209
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Energy: 0.8786338291119067
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Energy: 0.7701054199233414
Energy: 0.7694257431564212
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Energy: 0.8804535000993271
Energy: 0.8786338291155089
Energy: 0.7372185916255718
Energy: 0.7701054199213928
Energy: 0.7694257431548268
Energy: 1.1522458324955616
Energy: 0.7071042235425636
Energy: 0.9458184430933019
Energy: 1.1522458324929634
Energy: 0.7071042235435676
Energy: 0.9443392011411815
Energy: 1.152245832496211
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Energy: 1.1522458324975104
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Energy: 0.7366427565097364
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Energy: 0.9872409211315507
Energy: 1.020028696110122
Energy: 1.0430956598352952
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Energy: 1.0430956598368897
Energy: 0.7067896074062404
Energy: 0.9444164481820458
Energy: 1.1564072740272284
Energy: 0.70678960740689
Energy: 0.901507440639222
Energy: 1.1564072740265787
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Energy: 0.9444164481823408
Energy: 1.1564072740265787
Energy: 0.70678960740689
Energy: 1.040614479822251
Energy: 0.8184617948310257
Energy: 0.7372621683190854
Energy: 1.0406144798248493
Energy: 0.8208608129501116
Energy: 0.7372621683232782
Energy: 1.0406144798248493
Energy: 0.8184617948300218
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Energy: 1.040614479820952
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Energy: 0.9586311904237533
Energy: 0.7065772438400902
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Energy: 0.9581476512831547
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Energy: 0.7065772438404445
Energy: 0.884519645699944
Energy: 0.8758807167389353
Energy: 0.8791543597806212
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Energy: 0.980072075289089
Energy: 0.9433053817939838
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Energy: 1.200375146093712
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Energy: 0.8790304272618159
Energy: 1.0716801593440148
Energy: 0.6948002172019598
Energy: 0.9279509558669429
Energy: 0.9999608442937206
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Energy: 0.9999608442904726
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Energy: 0.8791944034289141
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Energy: 1.1522458324949119
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Energy: 0.9447570515709749
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Energy: 0.707104223542918
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Energy: 1.1522458324978055
Energy: 0.7068531645602212
Energy: 0.736642756510386
Energy: 0.8208577691829693
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Energy: 0.7366427565090868
Energy: 0.8184441172355191
Energy: 0.7068531645618746
Energy: 0.7366427565110356
Energy: 0.8208577691816701
Energy: 0.7068531645602212
Energy: 1.0430956598365944
Energy: 0.9794924806473019
Energy: 0.9438458019971931
Energy: 1.043095659837244
Energy: 1.1424066474132535
Energy: 0.9070642387245229
Energy: 1.0430956598355905
Energy: 0.9794924806483056
Energy: 0.943845801995599
Energy: 1.043095659837244
Energy: 0.7067896074072443
Energy: 0.9413003760627063
Energy: 1.1564072740259295
Energy: 0.7067896074059452
Energy: 0.9840401766347995
Energy: 1.1564072740272284
Energy: 0.7067896074062404
Energy: 0.9413003760627063
Energy: 1.1564072740272284
Energy: 0.7067896074065948
Energy: 1.040614479822251
Energy: 0.9345994838268895
Energy: 0.7372621683210341
Energy: 1.0406144798238455
Energy: 0.9362950318574469
Energy: 0.737262168324282
Energy: 1.0406144798241996
Energy: 0.9345994838275391
Energy: 0.7372621683239278
Energy: 1.0406144798218966
Energy: 0.7815431799868054
Energy: 0.9913276226967895
Energy: 0.7065772438417437
Energy: 0.9772653717471808
Energy: 0.9184816732312957
Energy: 0.7065772438417437
Energy: 0.7815431799878093
Energy: 0.9913276226938369
Energy: 0.7065772438417437
Energy: 0.9772653717455864
Energy: 0.8785186621586574
Energy: 0.8678664879790873
Energy: 0.6950149337897819
Energy: 0.7693511085010519
Energy: 0.7703743900653959
Energy: 0.6950149337894274
Energy: 0.878518662158362
Energy: 0.8678664879813311
Energy: 0.6950149337891323
Energy: 0.7693511084984537
Energy: 0.9225954514058377
Energy: 1.155465679129262
Energy: 0.7369373547166341
Energy: 0.9261275159491726
Energy: 1.1554656791286124
Energy: 0.7369373547163389
Energy: 0.9225954514048927
Energy: 1.1554656791273135
Energy: 0.7369373547172837
Energy: 0.926127515950767

minimum gb energy = 0.6586318780094491 eV
minimum distance =  2.34789140974532 Angstroms
sigma value = 33


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

Energy: 1.2666126431890627
Energy: 1.3830410963115831
Energy: 1.3834756697898172
Energy: 1.214926311819693
Energy: 1.3830410963133661
Energy: 1.3834756697898172
Energy: 1.2666126431908455
Energy: 1.3830410963115831
Energy: 1.3834756697916002
Energy: 1.214926311819693
Energy: 1.404553478570468
Energy: 1.2371405298548008
Energy: 1.3416142381950884
Energy: 1.404553478572251
Energy: 1.2371405298565838
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Energy: 1.3416142381933054
Energy: 1.404553478570468
Energy: 1.322993010748339
Energy: 1.1568579648645165
Energy: 1.2646786425905336
Energy: 1.3086370420052063
Energy: 1.1568579648645165
Energy: 1.2646786425923164
Energy: 1.322993010744773
Energy: 1.1568579648662993
Energy: 1.2646786425887506
Energy: 1.3086370420034232
Energy: 1.5049560992002557
Energy: 1.2372743690546633
Energy: 1.4688030008866997
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Energy: 1.2372743690510972
Energy: 1.4688030008884827
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Energy: 1.2372743690546633
Energy: 1.4688030008884827
Energy: 1.5049560992020388
Energy: 1.4476994334023336
Energy: 1.3302202332255526
Energy: 1.2071572705725615
Energy: 1.4476994334005506
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Energy: 1.2071572705743443
Energy: 1.4476994334005506
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Energy: 1.2071572705725615
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Energy: 1.3516851436879718
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Energy: 1.4019978037434842
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Energy: 1.2240741440422813
Energy: 1.3492401082411043
Energy: 1.3895315478456614
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Energy: 1.348671372698996
Energy: 1.1590423077628051
Energy: 1.3724495444357274
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Energy: 1.357491150483853
Energy: 1.2365541304011898
Energy: 1.4748630539859349
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Energy: 1.2365541303994068
Energy: 1.474863053989468
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Energy: 1.381073111999247
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Energy: 1.2671693577409806
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Energy: 1.38107311200103
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Energy: 1.381073111999247
Energy: 1.2373011034667316
Energy: 1.4291731009850486
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Energy: 1.4277097784068946
Energy: 1.436756736286081
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Energy: 1.4291731009814828
Energy: 1.4357936498448813
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Energy: 1.2200465721406994
Energy: 1.264743573031328
Energy: 1.2647333951895203
Energy: 1.2200465721424825
Energy: 1.2646418722598687
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Energy: 1.2200465721424825
Energy: 1.264743573029545
Energy: 1.2647333951930864
Energy: 1.2200465721406994
Energy: 1.2375467483400007
Energy: 1.3969393891632746
Energy: 1.3147379377201494
Energy: 1.2375467483364346
Energy: 1.3879839835426186
Energy: 1.3147379377201494
Energy: 1.2375467483382177
Energy: 1.3969393891614916
Energy: 1.3147379377201494
Energy: 1.2375467483364346
Energy: 1.386407274907467
Energy: 1.2421724099374638
Energy: 1.3688543756537472
Energy: 1.3864072749056844
Energy: 1.2165054486084073
Energy: 1.3688543756501812
Energy: 1.3864072749056844
Energy: 1.2421724099374638
Energy: 1.3688543756537472
Energy: 1.38640727490925
Energy: 1.342541922738244
Energy: 1.347348925346099
Energy: 1.236732063329858
Energy: 1.342541922738244
Energy: 1.347348925346099
Energy: 1.236732063333424
Energy: 1.3425419227399944
Energy: 1.3473489253443163
Energy: 1.236732063335207
Energy: 1.3425419227399944
Energy: 1.349237324258268
Energy: 1.421535644887657
Energy: 1.2641768890147564
Energy: 1.349237324258268
Energy: 1.421535644887657
Energy: 1.2641768890147564
Energy: 1.349237324256485
Energy: 1.4215356448858742
Energy: 1.2641768890147564
Energy: 1.349237324256485
Energy: 1.3081663984933154
Energy: 1.3726066756126676
Energy: 1.2252625539334592
Energy: 1.3081663984915324
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Energy: 1.3450505240575978
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Energy: 1.3780563778731199
Energy: 1.3774295133805046
Energy: 1.344446407409066
Energy: 1.3780563778749029
Energy: 1.3774295133805046
Energy: 1.3481627708353656
Energy: 1.3994588109876385
Energy: 1.3519178135542715
Energy: 1.3481627708371486
Energy: 1.3994588109858555
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Energy: 1.3519178135542715
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Energy: 1.3861649055242082
Energy: 1.2066240688625158
Energy: 1.3041803783347983
Energy: 1.3861649055224252
Energy: 1.2066240688660494

minimum gb energy = 1.1568579648645165 eV
minimum distance =  2.21276193455281 Angstroms
sigma value = 219


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

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Energy: 1.7432992915754804
Energy: 1.7433698607983321
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Energy: 1.5570031709866325
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Energy: 1.4247303089508825
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Energy: 1.4998851625185146
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Energy: 1.446509705405241
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Energy: 1.7330358948664293
Energy: 1.7434959306856335
Energy: 1.4246952544325993
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Energy: 1.7434959306856335
Energy: 1.4246952544314193
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Energy: 1.7434959306856335
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Energy: 1.772752279754287
Energy: 1.645066295902097
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Energy: 1.7243989698608617
Energy: 1.772752279754287
Energy: 1.645066295902097
Energy: 1.7243989698608617
Energy: 1.772752279754287

minimum gb energy = 1.4147699440919361 eV
minimum distance =  2.26461147984375 Angstroms
sigma value = 15


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

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Energy: 1.6160776182957777
Energy: 1.7987360268965007
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minimum gb energy = 1.6100890912406662 eV
minimum distance =  2.20567873351414 Angstroms
sigma value = 293


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

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Energy: 1.6169218000419283
Energy: 1.6094432351873351
Energy: 1.6113069435604561
Energy: 1.616921800039263
Energy: 1.6094432351873351
Energy: 1.7109012472853669
Energy: 1.7254866216052416
Energy: 1.6101756276922925
Energy: 1.695222270311983
Energy: 1.7254866216025764
Energy: 1.6101756276949577
Energy: 1.7109012472853669
Energy: 1.7254866216025764
Energy: 1.610175627697623
Energy: 1.695222270311983
Energy: 1.6651088135337166
Energy: 1.9735208046358355
Energy: 1.9395090176346108
Energy: 1.6549346793842614
Energy: 1.9735208046411663
Energy: 1.9395090176346108
Energy: 1.6651088135337166
Energy: 1.9735208046385009
Energy: 1.9395090176346108
Energy: 1.6549346793842614
Energy: 1.705923540730203
Energy: 1.6100279212932531
Energy: 1.6696498024780828
Energy: 1.7059235407275375
Energy: 1.6100279212932531
Energy: 1.6696498024780828
Energy: 1.705923540730203
Energy: 1.610027921290588
Energy: 1.6696498024807482
Energy: 1.705923540730203
Energy: 1.6171820934103813
Energy: 1.6170518459378669
Energy: 1.6160861687008463
Energy: 1.6171820934077161
Energy: 1.6173872639344673
Energy: 1.6160861687008463
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Energy: 1.6170518459405323
Energy: 1.6160861687008463
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Energy: 1.711536296277546
Energy: 1.628385899096907
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Energy: 1.711536296277546
Energy: 1.627878218127077
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Energy: 1.711536296277546
Energy: 1.6283858990942415
Energy: 1.9584229879351582
Energy: 1.711536296277546
Energy: 1.8150290208724702
Energy: 1.620912359817497
Energy: 1.7216792009878374
Energy: 1.8150290208724702
Energy: 1.620912359814832
Energy: 1.7216792009878374
Energy: 1.8150290208724702
Energy: 1.620912359817497
Energy: 1.721679200985172
Energy: 1.8150290208724702
Energy: 1.743825067202381
Energy: 1.740512877304319
Energy: 1.6909215623885243
Energy: 1.743825067202381
Energy: 1.740512877304319
Energy: 1.6901619903879737
Energy: 1.7438250672050464
Energy: 1.740512877304319
Energy: 1.6909215623858591
Energy: 1.7438250672050464
Energy: 1.625197343013319
Energy: 1.6272848242066278
Energy: 1.6657424024899747
Energy: 1.6251973430079887
Energy: 1.6272848242066278
Energy: 1.6657424024899747
Energy: 1.6251973430106539
Energy: 1.6272848242039626
Energy: 1.6657424024873095
Energy: 1.6251973430079887
Energy: 1.7382390608584348
Energy: 1.6067519596221274
Energy: 1.6066903679786202
Energy: 1.7382390608584348
Energy: 1.6067519596247928
Energy: 1.6066903679759548
Energy: 1.7382390608611
Energy: 1.6067519596247928
Energy: 1.6066903679812854
Energy: 1.7382390608611
Energy: 1.6258319484723458
Energy: 1.6907796089761435
Energy: 1.6371871262377284
Energy: 1.6258319484696806
Energy: 1.6907796089734783
Energy: 1.6371871262350632
Energy: 1.6258319484723458
Energy: 1.6907796089734783
Energy: 1.6371871262350632
Energy: 1.6258319484723458
Energy: 1.7434354478898326
Energy: 1.6961204912780528
Energy: 1.7406016646424953
Energy: 1.7434354478898326
Energy: 1.6961204912807182
Energy: 1.7406016646451605
Energy: 1.7434354478898326
Energy: 1.6961204912807182
Energy: 1.740601664647826
Energy: 1.7434354478898326
Energy: 1.8294608016677518
Energy: 1.6846990871322687
Energy: 1.6158314759634471
Energy: 1.8294608016650866
Energy: 1.6846990871296033
Energy: 1.615830133029016
Energy: 1.8294608016650866
Energy: 1.6846990871296033
Energy: 1.6158314759661125
Energy: 1.8294608016677518
Energy: 1.710278995546292
Energy: 1.725556637315609
Energy: 1.6351394200432932
Energy: 1.710278995546292
Energy: 1.7255566373129436
Energy: 1.6351394200459588
Energy: 1.710278995546292
Energy: 1.725556637315609
Energy: 1.6351394200432932
Energy: 1.7102789955489577

minimum gb energy = 1.6066903679759548 eV
minimum distance =  2.20120981131576 Angstroms
sigma value = 293


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

Energy: 1.5159650216763176
Energy: 1.5162161767760975
Energy: 1.5162613387647235
Energy: 1.515965021677281
Energy: 1.5162161767775428
Energy: 1.5162613387661688
Energy: 1.5159650216767993
Energy: 1.5162161767760975
Energy: 1.5162613387652053
Energy: 1.5159650216767993
Energy: 1.5139608045605375
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045605375
Energy: 1.5162169122223916
Energy: 1.516696755036984
Energy: 1.5139608045605375
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045605375
Energy: 1.5133111212191066
Energy: 1.5132594948720708
Energy: 1.774751835921033
Energy: 1.513311121218625
Energy: 1.513259494871589
Energy: 1.7747599104523293
Energy: 1.5133111212191066
Energy: 1.5132594948720708
Energy: 1.7747500598974286
Energy: 1.513311121218625
Energy: 1.7748512058906742
Energy: 1.5132599667446236
Energy: 1.5133234175469201
Energy: 1.774668837150797
Energy: 1.5132599667441418
Energy: 1.5133234175478836
Energy: 1.774846883655806
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Energy: 1.5133234175469201
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Energy: 1.5139300387046728
Energy: 1.5166799513087676
Energy: 1.5162942840019094
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Energy: 1.5162942840028728
Energy: 1.5139300387041912
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Energy: 1.5162161767760975
Energy: 1.5162613387652053
Energy: 1.5159650216767993
Energy: 1.516216176775616
Energy: 1.5162613387652053
Energy: 1.5159650216767993
Energy: 1.5162161767765794
Energy: 1.5162613387647235
Energy: 1.5159650216763176
Energy: 1.5162161767765794
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045605375
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045615007
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045610193
Energy: 1.5162169122219098
Energy: 1.513259494871589
Energy: 1.774739466833238
Energy: 1.513311121218625
Energy: 1.5132594948720708
Energy: 1.7747502544733287
Energy: 1.513311121218625
Energy: 1.513259494871589
Energy: 1.7747656901048372
Energy: 1.5133111212191066
Energy: 1.5132594948720708
Energy: 1.5132599667441418
Energy: 1.5133234175478836
Energy: 1.7748557939990048
Energy: 1.5132599667446236
Energy: 1.5133234175478836
Energy: 1.7748557550284778
Energy: 1.5132599667441418
Energy: 1.5133234175469201
Energy: 1.7748484977555425
Energy: 1.5132599667446236
Energy: 1.5162942840019094
Energy: 1.5139300387056365
Energy: 1.5166799513082858
Energy: 1.516294284002391
Energy: 1.5139300387056365
Energy: 1.5166799513082858
Energy: 1.5162942840019094
Energy: 1.513930038706118
Energy: 1.5166799513087676
Energy: 1.5162942840028728
Energy: 1.5162613387652053
Energy: 1.5159650216767993
Energy: 1.516216176777061
Energy: 1.5162613387647235
Energy: 1.5159650216767993
Energy: 1.516216176777061
Energy: 1.5162613387652053
Energy: 1.5159650216767993
Energy: 1.5162161767765794
Energy: 1.5162613387652053
Energy: 1.5166967550374657
Energy: 1.5139608045610193
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045605375
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045610193
Energy: 1.5162169122223916
Energy: 1.5166967550379475
Energy: 1.7747641615817602
Energy: 1.513311121218625
Energy: 1.513259494871589
Energy: 1.7747722270777446
Energy: 1.5133111212191066
Energy: 1.5132594948720708
Energy: 1.7747673861317317
Energy: 1.5133111212191066
Energy: 1.513259494871589
Energy: 1.7747690869477846
Energy: 1.5133234175474017
Energy: 1.7748518223513816
Energy: 1.5132599667446236
Energy: 1.5133234175478836
Energy: 1.7748557764349928
Energy: 1.5132599667446236
Energy: 1.5133234175478836
Energy: 1.774859291635649
Energy: 1.5132599667441418
Energy: 1.5133234175474017
Energy: 1.5139300387041912
Energy: 1.5166799513087676
Energy: 1.5162942840019094
Energy: 1.513930038706118
Energy: 1.5166799513082858
Energy: 1.5162942840028728
Energy: 1.5139300387046728
Energy: 1.5166799513087676
Energy: 1.5162942840019094
Energy: 1.5139300387056365
Energy: 1.5159650216767993
Energy: 1.5162161767760975
Energy: 1.5162613387652053
Energy: 1.515965021677281
Energy: 1.516216176777061
Energy: 1.5162613387647235
Energy: 1.5159650216767993
Energy: 1.516216176775616
Energy: 1.5162613387647235
Energy: 1.5159650216767993
Energy: 1.5139608045610193
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045605375
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045610193
Energy: 1.5162169122219098
Energy: 1.516696755036984
Energy: 1.5139608045610193
Energy: 1.5133111212191066
Energy: 1.513259494871589
Energy: 1.774772011534454
Energy: 1.513311121218625
Energy: 1.513259494871589
Energy: 1.7747725661917426
Energy: 1.5133111212191066
Energy: 1.5132594948720708
Energy: 1.774773567743608
Energy: 1.513311121218625
Energy: 1.774856803672241
Energy: 1.5132599667446236
Energy: 1.5133234175478836
Energy: 1.7748590852080328
Energy: 1.5132599667446236
Energy: 1.5133234175474017
Energy: 1.7748560248542786
Energy: 1.5132599667446236
Energy: 1.5133234175474017
Energy: 1.7748594529186765
Energy: 1.5166799513082858
Energy: 1.516294284002391
Energy: 1.5139300387056365
Energy: 1.5166799513082858
Energy: 1.5162942840019094
Energy: 1.5139300387056365
Energy: 1.5166799513092493
Energy: 1.516294284002391
Energy: 1.5139300387051546
Energy: 1.5166799513082858
Energy: 1.516216176777061
Energy: 1.5162613387652053
Energy: 1.5159650216767993
Energy: 1.516216176775616
Energy: 1.516261338765687
Energy: 1.5159650216767993
Energy: 1.5162161767765794
Energy: 1.5162613387647235
Energy: 1.5159650216767993
Energy: 1.5162161767760975
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045600557
Energy: 1.5162169122223916
Energy: 1.5166967550379475
Energy: 1.5139608045615007
Energy: 1.5162169122223916
Energy: 1.5166967550374657
Energy: 1.5139608045610193
Energy: 1.5162169122219098

minimum gb energy = 1.513259494871589 eV
minimum distance =  2.28917241107541 Angstroms
sigma value = 15


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

Energy: 1.6268149766927376
Energy: 1.6846024643031432
Energy: 1.6829562274790744
Energy: 1.5841932835028
Energy: 1.6846024643031432
Energy: 1.6829562271822098
Energy: 1.6268149766927376
Energy: 1.6846024643053268
Energy: 1.682956227286988
Energy: 1.5841932835028
Energy: 1.5941865715346375
Energy: 1.661905302681
Energy: 1.5709869604757303
Energy: 1.594186571519352
Energy: 1.6619053026831836
Energy: 1.5709869604779139
Energy: 1.594186571539005
Energy: 1.661905302681
Energy: 1.5709869604735467
Energy: 1.594186571510617
Energy: 1.7580012823768487
Energy: 1.6106818009414428
Energy: 1.7563453281501682
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Energy: 1.6106818009414428
Energy: 1.7563453282287418
Energy: 1.7580012823746651
Energy: 1.568538543691791
Energy: 1.6102571515583581
Energy: 1.5681888661357481
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Energy: 1.568188866129197
Energy: 1.5685385436939348
Energy: 1.8034070999091365
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Energy: 1.6586127838959746
Energy: 1.6114546770507583
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Energy: 1.610761276132571
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Energy: 1.6058726852627971
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Energy: 1.6051321510915333
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Energy: 1.606209380454649
Energy: 1.755626109889489
Energy: 1.7065695300212602
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Energy: 1.755626109891673
Energy: 1.6651534058832258
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Energy: 1.7556261098873054
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Energy: 1.6062884913629818
Energy: 1.642748171215276
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Energy: 1.768419100110393
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Energy: 1.5725021848743002
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Energy: 1.5725379888361495
Energy: 1.7684191000994747
Energy: 1.6972956962113637
Energy: 1.907889972633273
Energy: 1.5669538427498777
Energy: 1.726241812802218
Energy: 1.907889972633273
Energy: 1.5669538427476941
Energy: 1.726241812802218
Energy: 1.9078899726310892
Energy: 1.5669538427498777
Energy: 1.7262418128044017
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Energy: 1.5697807109176325
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Energy: 1.5753546615397458
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Energy: 1.8748317483118884
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Energy: 1.8748317483140724
Energy: 1.59192067083944
Energy: 1.701529897406026
Energy: 1.5866262379561282
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Energy: 1.7563991277360917
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Energy: 1.81022971983201
Energy: 1.7779782429292235
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Energy: 1.777978242931407
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Energy: 1.6062966787776458
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Energy: 1.573401329993215
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Energy: 1.775348868289091
Energy: 1.6103588137459461
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Energy: 1.6103588137481297
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Energy: 1.6097504951516188
Energy: 1.5749524296358708
Energy: 1.6374583082040788
Energy: 1.5889309664511402
Energy: 1.574952429633687
Energy: 1.6374583082018952
Energy: 1.5889309664533238
Energy: 1.5749524296380546
Energy: 1.6374583082018952
Energy: 1.5889309664511402
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Energy: 1.7312686529837065
Energy: 1.6302047045257817
Energy: 1.62810998459437
Energy: 1.731268652979339
Energy: 1.6302047045257817
Energy: 1.62810998459437
Energy: 1.7312686529815229
Energy: 1.6302047045257817
Energy: 1.6281099845987375
Energy: 1.731268652979339
Energy: 1.6067605999815073
Energy: 1.800300375115925
Energy: 1.701707309159689
Energy: 1.6066420754039004
Energy: 1.8003003751050066
Energy: 1.6802473345658289
Energy: 1.6067605999815073
Energy: 1.800300375115925
Energy: 1.701707309159689
Energy: 1.6066420754082678
Energy: 1.6844036453045936
Energy: 1.5866998875396754
Energy: 1.6793891450669343
Energy: 1.684403645308961
Energy: 1.5866998875375316
Energy: 1.6793891450625669
Energy: 1.6844036453045936
Energy: 1.5866998875375316
Energy: 1.6793891450669343
Energy: 1.684403645308961
Energy: 1.7701000708486745
Energy: 1.8115128537866434
Energy: 1.7671741908417744
Energy: 1.770100070846491
Energy: 1.8115128537888272
Energy: 1.7671741908417744
Energy: 1.770100070844307
Energy: 1.8115128537910108
Energy: 1.767174190837407
Energy: 1.770100070844307
Energy: 1.8456465747225064
Energy: 1.574574677577158
Energy: 1.7196714039214824
Energy: 1.9014480864736927
Energy: 1.5745593226958963
Energy: 1.7196714039214824
Energy: 1.8456465747225064
Energy: 1.5745746775749745
Energy: 1.719671403923666
Energy: 1.9014480864758767
Energy: 1.6480009691495476
Energy: 1.5708639588170774
Energy: 1.70450644858628
Energy: 1.6480009691517314
Energy: 1.570863958819261
Energy: 1.7045064485840964
Energy: 1.648000969147364
Energy: 1.570863958819261
Energy: 1.70450644858628
Energy: 1.648000969147364
Energy: 1.8426921336452335
Energy: 1.7129720438365037
Energy: 1.5899237559448234
Energy: 1.8426921336474176
Energy: 1.7129720438343201
Energy: 1.5899360606425461
Energy: 1.8426921336474176
Energy: 1.7129720438365037
Energy: 1.5899237559404558
Energy: 1.84269213364305
Energy: 1.5813859012681644
Energy: 1.8154742735954479
Energy: 1.745459303800389
Energy: 1.581385901270348
Energy: 1.8154742735910805
Energy: 1.7454593037982054
Energy: 1.581385901270348
Energy: 1.815474273593264
Energy: 1.745459303800389
Energy: 1.581385901270348
Energy: 1.6264602108875215
Energy: 1.7295226689868537
Energy: 1.7023717848987692
Energy: 1.5838145014401117
Energy: 1.729522668991221
Energy: 1.7023717849009528
Energy: 1.6264602108875215
Energy: 1.7295226689890375
Energy: 1.7023717848987692
Energy: 1.5838145014379281
Energy: 1.625993380981279
Energy: 1.818679526428084
Energy: 1.740735539576748
Energy: 1.5841293255184044
Energy: 1.818679526428084
Energy: 1.7164512401303205
Energy: 1.625993380981279
Energy: 1.818679526428084
Energy: 1.7407355395811155
Energy: 1.5841293255162205
Energy: 1.599229533475123
Energy: 1.8590270749090576
Energy: 1.8179846490380602
Energy: 1.599229533475123
Energy: 1.8590270749068742
Energy: 1.8179846490358766
Energy: 1.599229533475123
Energy: 1.8590270749068742
Energy: 1.8179846490358766
Energy: 1.599229533475123
Energy: 1.8743635679124688
Energy: 1.5902764467481927
Energy: 1.6453235355353442
Energy: 1.874363567916836
Energy: 1.5902764467460089
Energy: 1.6453235355353442
Energy: 1.87436356791902
Energy: 1.5902764467503763
Energy: 1.6453235355375277
Energy: 1.874363567916836
Energy: 1.5854272681326544
Energy: 1.739894984501249
Energy: 1.5651136636063314
Energy: 1.5854272681326544
Energy: 1.739894984501249
Energy: 1.5652943962430925
Energy: 1.585427268134838
Energy: 1.7398949844990654
Energy: 1.5651136636041478
Energy: 1.5854272681326544
Energy: 1.942722260897753
Energy: 1.7478774109895392
Energy: 1.5727311837180835
Energy: 1.9427222608999364
Energy: 1.7478774109873554
Energy: 1.5727311837180835
Energy: 1.9427222608999364
Energy: 1.7478774109851718
Energy: 1.5727311837180835
Energy: 1.9427222608933856
Energy: 1.7279136482108026
Energy: 1.726955800054146
Energy: 1.7513947201848952
Energy: 1.7279136482108026
Energy: 1.7269558000563299
Energy: 1.7513947201870788
Energy: 1.7279136482086188
Energy: 1.726955800054146
Energy: 1.7513947201848952
Energy: 1.7279136482108026
Energy: 1.8962887906858075
Energy: 1.7463086050489904
Energy: 1.590923152516274
Energy: 1.8962887906858075
Energy: 1.7463086050489904
Energy: 1.5909231525140903
Energy: 1.8962887906858075
Energy: 1.746308605046807
Energy: 1.5909231525097227
Energy: 1.8962887906879913
Energy: 1.608274296841807
Energy: 1.7644481290215481
Energy: 1.6426831574910596
Energy: 1.608274296839623
Energy: 1.7644481290215481
Energy: 1.6426831574932437
Energy: 1.608274296839623
Energy: 1.7644481290237317
Energy: 1.6426831574954273
Energy: 1.608274296841807
Energy: 1.7487102212043653
Energy: 1.6083989784828687
Energy: 1.6079663503907602
Energy: 1.7487102212043653
Energy: 1.5867122624289351
Energy: 1.586399834624608
Energy: 1.7487102212065488
Energy: 1.6083989784828687
Energy: 1.6079663503885766
Energy: 1.7487102212043653
Energy: 1.8164302896164262
Energy: 1.587539963100751
Energy: 1.8986910242730413
Energy: 1.8164302896142426
Energy: 1.587539963100751
Energy: 1.898691024275225
Energy: 1.8164302896186098
Energy: 1.5875399631029348
Energy: 1.898691024275225
Energy: 1.8164302896164262
Energy: 1.6127716565873254
Energy: 2.0150913222550515
Energy: 1.6104015752623964
Energy: 1.6127716565895092
Energy: 2.0150913222616027
Energy: 1.6104015752645802
Energy: 1.6127716565916927
Energy: 2.0150913222616027
Energy: 1.6104015752602128
Energy: 1.6127716565916927
Energy: 1.6143007276940378
Energy: 1.5740185219398242
Energy: 1.8776627729251791
Energy: 1.6143007276940378
Energy: 1.5740339397645577
Energy: 1.8776627729251791
Energy: 1.6143007276918542
Energy: 1.5740185219398242
Energy: 1.8776627729251791
Energy: 1.6143007276940378
Energy: 1.6569884349000783
Energy: 1.5832431295163363
Energy: 1.749967839201053
Energy: 1.656988434902262
Energy: 1.5832431295141527
Energy: 1.749967839201053
Energy: 1.6569884348978945
Energy: 1.5832431295163363
Energy: 1.749967839201053
Energy: 1.656988434902262
Energy: 1.6223666123500091
Energy: 1.6621385801277373
Energy: 1.5901512698296325
Energy: 1.6223666123500091
Energy: 1.6621385801299209
Energy: 1.5901565148252348
Energy: 1.6223666123500091
Energy: 1.6621385801277373
Energy: 1.5901512698318163
Energy: 1.6223666123456415
Energy: 1.592549000607996
Energy: 1.730163050604546
Energy: 1.7265680242032297
Energy: 1.5925490006101797
Energy: 1.730163050604546
Energy: 1.7265680242054133
Energy: 1.5925490006101797
Energy: 1.7301630505979948
Energy: 1.7265680242032297
Energy: 1.5925490006101797
Energy: 1.5840941305870369
Energy: 1.729469617122871
Energy: 1.7733105622377703
Energy: 1.584094130589181
Energy: 1.7294696171250545
Energy: 1.7733105622355867
Energy: 1.584094130593548
Energy: 1.729469617122871
Energy: 1.773310562239954
Energy: 1.5840941305870369

minimum gb energy = 1.5651136636041478 eV
minimum distance =  2.21045896597198 Angstroms
sigma value = 437


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

Energy: 1.5536480231637604
Energy: 1.5521034823705435
Energy: 1.5521498794858009
Energy: 1.5536480231637604
Energy: 1.552103482372135
Energy: 1.5521498794865964
Energy: 1.5536480231637604
Energy: 1.5521034823705435
Energy: 1.5521498794865964
Energy: 1.5536480231637604
Energy: 1.9441232865665548
Energy: 1.5240297985188496
Energy: 1.7593618295781805
Energy: 1.9441232865665548
Energy: 1.5240297985196452
Energy: 1.7593618295781805
Energy: 1.9441232865665548
Energy: 1.5240297985196452
Energy: 1.7593618295781805
Energy: 1.9441232865673503
Energy: 1.7224115558898667
Energy: 1.5084241056785332
Energy: 1.8973046403296916
Energy: 1.6908672583733682
Energy: 1.5084241056793286
Energy: 1.8972858381387319
Energy: 1.7224115558906623
Energy: 1.5084241056777377
Energy: 1.8973156102864042
Energy: 1.6908672583725726
Energy: 1.6465719579810167
Energy: 1.79942675081367
Energy: 1.6507212443510084
Energy: 1.646571957998519
Energy: 1.7994267508089687
Energy: 1.6507212443462347
Energy: 1.6465719579802212
Energy: 1.799426750815261
Energy: 1.6507212443533947
Energy: 1.6465719579873814
Energy: 1.6275640238616982
Energy: 1.5551855517483755
Energy: 1.9066447315174428
Energy: 1.6275640238497648
Energy: 1.5551855517507622
Energy: 1.9066447315174428
Energy: 1.6275640238386266
Energy: 1.5551855517483755
Energy: 1.9066447315174428
Energy: 1.6275640238306712
Energy: 1.6305491550605626
Energy: 1.7532699299830097
Energy: 1.5249736427907548
Energy: 1.6305491550589712
Energy: 1.7532699299838053
Energy: 1.524973642788368
Energy: 1.6305491550597668
Energy: 1.7532699299838053
Energy: 1.5249736427907548
Energy: 1.6305491550589712
Energy: 1.8022761311590816
Energy: 1.5866004581534228
Energy: 1.5079875506008993
Energy: 1.8022761311598772
Energy: 1.5866004581558097
Energy: 1.5079875505993081
Energy: 1.8022761311590816
Energy: 1.5866004581534228
Energy: 1.5079875506008993
Energy: 1.8022761311598772
Energy: 1.6466448004678227
Energy: 1.8056987539278202
Energy: 1.645672836931502
Energy: 1.6466448004678227
Energy: 1.8056987539294116
Energy: 1.6456728369307063
Energy: 1.6466448004678227
Energy: 1.8056987539286158
Energy: 1.6456728369307063
Energy: 1.6466448004678227
Energy: 1.6821505539584665
Energy: 1.5211799018357242
Energy: 1.5562093803055697
Energy: 1.6821505537437371
Energy: 1.5211799018357242
Energy: 1.5562093803048465
Energy: 1.6821505540769324
Energy: 1.5211799018341328
Energy: 1.5562093803055697
Energy: 1.6821505536975947
Energy: 1.6482172435929507
Energy: 1.7142449998636446
Energy: 1.7649671271209155
Energy: 1.6482172435937463
Energy: 1.714244999859667
Energy: 1.7649671271225067
Energy: 1.6482172435929507
Energy: 1.714244999858076
Energy: 1.764967127128871
Energy: 1.6482172435937463
Energy: 1.6365869798632022
Energy: 1.5228028334375423
Energy: 1.613418196109657
Energy: 1.6365869798639978
Energy: 1.522802833436747
Energy: 1.6134181961088614
Energy: 1.6365869798632022
Energy: 1.5228028334375423
Energy: 1.613418196109657
Energy: 1.6365869798639978
Energy: 1.7124990200980104
Energy: 1.5290310714099598
Energy: 1.7186956785549938
Energy: 1.712499020097215
Energy: 1.5290310714099598
Energy: 1.7186956785565852
Energy: 1.712499020097215
Energy: 1.5290310714107553
Energy: 1.7186956785549938
Energy: 1.712499020097215
Energy: 1.522024848635353
Energy: 1.6570275355294002
Energy: 1.521975800895944
Energy: 1.522024848635353
Energy: 1.6570275355301955
Energy: 1.5219758008967397
Energy: 1.522024848635353
Energy: 1.6570275355309911
Energy: 1.5219758008951485
Energy: 1.5220248486345573
Energy: 1.5450453901998393
Energy: 1.5820190111721606
Energy: 1.6442058254785852
Energy: 1.5450453902006347
Energy: 1.5820190111721606
Energy: 1.6442058254777896
Energy: 1.5450453901998393
Energy: 1.5820190111721606
Energy: 1.6442058254777896
Energy: 1.5450453901990437

minimum gb energy = 1.5079875505993081 eV
minimum distance =  2.22349928603498 Angstroms
sigma value = 33