Model name: model_name=EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8665045946836467
cohesive_energy=13.884706401845953
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-3.74415861952728e-25, 1.3955278917466799e-18, 1.59811511623281e-18, 1.75087464740154e-18, 1.846508570685e-18, 1.90918572060708e-18, 1.95678638840322e-18, 1.9980905020277398e-18, 2.03566154409504e-18, 2.06948349283878e-18, 2.09902762996974e-18, 2.1241657813571998e-18, 2.14513827349626e-18, 2.16244178114346e-18, 2.1766691096533798e-18, 2.18831693378256e-18, 2.1978338629885198e-18, 2.2055563543643998e-18, 2.2117247344053e-18, 2.2165312643072997e-18, 2.2201041182011198e-18, 2.2225394266848e-18, 2.22394934212272e-18, 2.2243979515802397e-18, 2.2239333203563796e-18, 2.22242727432042e-18, 2.2197836828743197e-18, 2.21584232835468e-18, 2.2104429930981e-18, 2.20337739414216e-18, 2.1944692920571197e-18, 2.18341427328252e-18, 2.16992394602424e-18, 2.15361378789012e-18, 2.13408325472166e-18, 2.110867715295e-18, 2.08367877781602e-18, 2.0498888726049598e-18, 2.00233627010784e-18, 1.93764037762692e-18, 1.85121896998896e-18, 1.7351893381546797e-18, 1.575534038753214e-18, 1.349263439263296e-18, 1.023111546233184e-18, 5.522766944463359e-19, -1.212088280213484e-19, -1.074041537074776e-18, -2.4329693057943596e-18, -4.44477443980914e-18, -7.537984714708559e-18, -1.2396409117883819e-17, -2.02656118081392e-17, -3.40690043807028e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.04817526049230718
Energy: 0.05308960643179588
Energy: 0.13250354828091615
Energy: 0.13334145413971152
Energy: 0.14952008960261942
Energy: 0.13233032636735048
Energy: 0.1466834311516765
Energy: 0.13436472324175974
Energy: 0.135247175075663
Energy: 0.051470986135212296
Energy: 0.05546996006291561
Energy: 0.13156773846132178
Energy: 0.14581273158689045
Energy: 0.054521753561370324
Energy: 0.050655368369434385
Energy: 0.1369429841469934
Energy: 0.1322331702019206
Energy: 0.5299939285218684
Energy: 0.13222811536920498
Energy: 0.14903483330880313
Energy: 0.5290612728052324
Energy: 0.1385206811180309
Energy: 0.14575545765576867
Energy: 0.05254595553783688
Energy: 0.13481348146524683
Energy: 0.5269828424574075
Energy: 0.051403362741202496
Energy: 0.049325646558211575
Energy: 0.5259614662996666
Energy: 0.13248352792706222
Energy: 0.05085759058359194
Energy: 0.14910027942223153
Energy: 0.13868845534668825
Energy: 0.5312395223824864
Energy: 0.13681064394099332
Energy: 0.5273001015713088
Energy: 0.05064690278090851
Energy: 0.04958596024605349
Energy: 0.5287654263980139
Energy: 0.05413592745950712
Energy: 0.050671561163608075
Energy: 0.13527113511721003
Energy: 0.13200707747173124
Energy: 0.050746960144282975
Energy: 0.049711873141492065
Energy: 0.14274920662318583
Energy: 0.5340152495538182
Energy: 0.13297184333127507
Energy: 0.14102800753531178
Energy: 0.049235563132006575
Energy: 0.9187034712687729
Energy: 0.13673970579465347
Energy: 0.14988541401832356
Energy: 0.04999925973487498
Energy: 0.05313786418436407
Energy: 0.5266998816456003
Energy: 0.04955389042294148
Energy: 0.050571683400821535
Energy: 0.14620267926356575
Energy: 0.1379611550242749
Energy: 0.05476868601450507
Energy: 0.14529379467205897
Energy: 0.13106774471982652
Energy: 0.5298736450926002
Energy: 0.13295686792667105
Energy: 0.5247153931060081
Energy: 0.05010329106687612
Energy: 0.05047138813799612
Energy: 0.5266839432339444
Energy: 0.13320464604698334

minimum gb energy = 0.04817526049230718 eV
minimum distance =  2.47999153010251 Angstroms
sigma value = 3


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

Energy: 2.0376402644810363
Energy: 1.7219062515503576
Energy: 1.668254708880194
Energy: 1.6064322159728512
Energy: 1.6854828040705363
Energy: 1.65533269596455
Energy: 1.6810645417830468
Energy: 1.6956806217316491
Energy: 1.6606908680300339
Energy: 1.8191783243627595
Energy: 1.8097824462749608
Energy: 1.6281908626503883
Energy: 1.7324762691259195
Energy: 1.8234521469805471
Energy: 1.6777318015182652
Energy: 1.661279004991294
Energy: 1.6905883938411974
Energy: 1.6849569416155772
Energy: 1.661746624659468
Energy: 1.6821111964265263
Energy: 1.718073725841137
Energy: 1.657402324631291
Energy: 1.671524747520942
Energy: 1.7154570060146999
Energy: 1.6777936474924577
Energy: 1.7459201956493915
Energy: 1.9917661970118439
Energy: 1.6661686921366887
Energy: 1.7249412399586928
Energy: 1.869194963160466
Energy: 1.9054934335581615
Energy: 1.642984777755291
Energy: 1.8476700617971225
Energy: 1.7331372310430437
Energy: 1.6112649098668184
Energy: 1.6795153327183
Energy: 1.6822199885408118
Energy: 1.916414531024147
Energy: 1.6771079282400974
Energy: 1.828902230994604
Energy: 1.9250065316890959
Energy: 1.9329719567027275
Energy: 1.9605987421283138
Energy: 1.9049441814177848
Energy: 1.6534689835138217
Energy: 1.6860300708271072
Energy: 1.7614880378666904
Energy: 1.672580575337723
Energy: 1.6566300987598555
Energy: 1.6647131147642715
Energy: 1.7508228251543916
Energy: 1.6709036076087276
Energy: 1.643247051319935
Energy: 1.6077694525989903
Energy: 1.920542308604372
Energy: 1.8260885093686916
Energy: 1.832633557827135
Energy: 1.563166565286435
Energy: 1.6476057174388834
Energy: 1.6023955185242262
Energy: 1.716576032269631
Energy: 1.6590506323170624
Energy: 1.6055255159926862
Energy: 1.586871956885336
Energy: 1.6963189156205316
Energy: 1.5845363265287957
Energy: 1.5641049750693554
Energy: 1.8589714697472504
Energy: 1.6977673346061837
Energy: 1.7075322733899478
Energy: 1.7342546532277696
Energy: 1.7424286302821748
Energy: 1.6641946455509649
Energy: 1.7081126997750407
Energy: 1.689697970466215
Energy: 1.5900634433338008
Energy: 1.5859452991811946
Energy: 1.7832609252651774
Energy: 1.823412292546547
Energy: 1.5743080087602057
Energy: 1.5931014623872093
Energy: 1.7630834944924239
Energy: 1.6102662108305517
Energy: 1.6387563611262717
Energy: 1.5772596298244668
Energy: 1.7123387198544449
Energy: 1.6263824773326145
Energy: 1.7472014530916837
Energy: 1.745430522093787
Energy: 1.5660462852265464
Energy: 1.7447413792284303
Energy: 1.8365822781679573
Energy: 1.5642903747850128
Energy: 1.5707778858631596
Energy: 1.6925749092640592
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Energy: 1.6683170835735766
Energy: 1.6222513188495895
Energy: 1.564996930990752
Energy: 1.703470022649198
Energy: 1.6655665145628433
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Energy: 1.8383351464259974
Energy: 1.8140821703754026
Energy: 1.8796174951964848
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Energy: 1.6150797706281796
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Energy: 1.8037019690416554
Energy: 1.6424019611304999
Energy: 1.640117043072153
Energy: 1.62929260859721
Energy: 1.8039135898325287
Energy: 1.7113707064340178
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Energy: 1.8769038278094103
Energy: 1.8234601695138555
Energy: 1.738081581815014
Energy: 1.6901911752572532
Energy: 1.612806071489095
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Energy: 1.6451045803653792
Energy: 1.8860342929949032
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Energy: 1.6960254324163342
Energy: 1.5695856882454196
Energy: 1.7076936291417604
Energy: 1.8236551361877866
Energy: 1.705180521125829
Energy: 1.6993649899529204
Energy: 1.7033293700774133
Energy: 1.6241855520413702
Energy: 1.7387947436191518
Energy: 1.696409366859376
Energy: 1.6223733795918913
Energy: 1.6866812309413095
Energy: 1.6809814453918919
Energy: 1.710529670187031
Energy: 1.6809194519084936
Energy: 1.703072980781221
Energy: 1.675379763911323
Energy: 1.695723751627677
Energy: 1.693834100500105
Energy: 1.6797603103200394
Energy: 1.6433232540701237
Energy: 1.6134367070313518
Energy: 1.6866813925721638
Energy: 1.662523616639442
Energy: 1.6885112290629662
Energy: 1.7254590607855442
Energy: 1.656126199028423
Energy: 1.675931190245855
Energy: 1.7752973321147905
Energy: 1.679635619225161
Energy: 1.6554167063652123
Energy: 1.9131721338406964
Energy: 1.6781121447398881
Energy: 1.999355840519736
Energy: 1.9254153909185303
Energy: 1.6632724142416713
Energy: 1.707580963431028
Energy: 1.8649244980571753
Energy: 1.6912189590629172
Energy: 1.6072615845617437
Energy: 1.6733839826426835
Energy: 1.8094125679117254
Energy: 1.703439803097739
Energy: 1.671673809590793
Energy: 1.6640827697814644
Energy: 1.915796999276176
Energy: 1.6607301775160672
Energy: 1.9354405757403663
Energy: 1.854482996883255
Energy: 1.6789011128178926
Energy: 1.7067195981564498
Energy: 1.8439112938536064
Energy: 1.619995098310836
Energy: 1.652526894930768
Energy: 1.6847894049696281
Energy: 1.6737062260997118
Energy: 1.6608257402352598
Energy: 1.637830928247776
Energy: 1.9062190038094322
Energy: 2.00404861026402
Energy: 1.9501072012566076
Energy: 1.9068750735204287
Energy: 1.6436703063997928
Energy: 1.8248134215409504
Energy: 1.8260961226960852
Energy: 1.5860120580637929
Energy: 1.6437780993241735
Energy: 1.6049331266910924
Energy: 1.8881927316340454
Energy: 1.668474796920416
Energy: 1.6479846165141567
Energy: 1.565270159423249
Energy: 1.9204716238683457
Energy: 1.6353030760371063
Energy: 1.5658893170586987
Energy: 1.8661206303725477
Energy: 1.644127703552245
Energy: 1.6862847624112154
Energy: 1.689472223883178
Energy: 1.6550008691642284
Energy: 1.609076115183667
Energy: 1.5968676463744111
Energy: 1.6977030791074625
Energy: 1.6960307162163486
Energy: 1.5839056953713722
Energy: 1.7689410850088219
Energy: 1.8309122577965957
Energy: 1.5765386233267893
Energy: 1.7492238283656771
Energy: 1.6080960569419123
Energy: 1.6523590411247715
Energy: 1.6916271130607405
Energy: 1.685377295980713
Energy: 1.6668998912319406
Energy: 1.635235861829928
Energy: 1.7489811593971656
Energy: 1.7641897838165619
Energy: 1.5654561749732014
Energy: 1.6209294249607236
Energy: 1.7569332990494395
Energy: 1.6344563914579682
Energy: 1.6953197719095892
Energy: 1.5748701052514962
Energy: 1.6612556611362197
Energy: 1.6601485108542846
Energy: 1.5785061151690065
Energy: 1.5643199623299175
Energy: 1.719810768523842
Energy: 1.7285613797599888
Energy: 1.8674901315869725
Energy: 1.5929186162472608
Energy: 1.5943636467774207
Energy: 1.694507205458166
Energy: 1.7102319128645427
Energy: 1.6234183288737365
Energy: 1.6672635934120785
Energy: 1.6749127726024675
Energy: 1.691344853757351
Energy: 1.6701626924192692
Energy: 1.5648809567821553
Energy: 1.8295106700271642
Energy: 1.702718257941534
Energy: 1.8053780112673634
Energy: 1.8799385354315616
Energy: 1.617638360109839
Energy: 1.7178938882074921
Energy: 1.7042606427739917
Energy: 1.6051406553089647
Energy: 1.6541752552232754
Energy: 1.6323517800638034
Energy: 1.7966196930236515
Energy: 1.6803217124659333
Energy: 1.6163602051294435
Energy: 1.7923386953705343
Energy: 1.8982170595235388
Energy: 1.809881968681629
Energy: 1.8941499118175007
Energy: 1.7000053317933879
Energy: 1.6716871896125762
Energy: 1.6866778036528187
Energy: 1.659193817283721
Energy: 1.6295499838217105
Energy: 1.6489731677738597
Energy: 1.7787695652449798
Energy: 1.6808648724089559
Energy: 1.6433311798295298
Energy: 1.6445205317214238
Energy: 1.6709880817264422
Energy: 1.8717763218030963
Energy: 1.930022704855825
Energy: 1.6949179949264916
Energy: 1.698713772423675
Energy: 1.6230067947848388
Energy: 1.937426657799059
Energy: 1.6654800731535466
Energy: 1.6576551656591236
Energy: 1.6703729086460606
Energy: 1.6897818494625605
Energy: 1.69754719639645
Energy: 1.6816872889581034
Energy: 1.7328099740701277
Energy: 1.6478314109480938
Energy: 2.0521422650806587

minimum gb energy = 1.563166565286435 eV
minimum distance =  2.24675702378663 Angstroms
sigma value = 75


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

Energy: 2.1216935432840516
Energy: 1.7130979959441317
Energy: 1.8368462031671662
Energy: 1.7354474835296065
Energy: 1.7786293733338006
Energy: 1.7967183853284323
Energy: 1.7297273456461295
Energy: 1.7505230972908752
Energy: 1.7966828932900645
Energy: 1.7096535314170576
Energy: 1.822758267686815
Energy: 1.7605119491438033
Energy: 1.8119584799396051
Energy: 1.814019421529651
Energy: 1.9364717783673622
Energy: 1.7080277621179345
Energy: 1.7076999440544123
Energy: 1.7223212067617633
Energy: 1.8022958399613578
Energy: 1.7325282925687904
Energy: 1.82669258005016
Energy: 1.7175654732624617
Energy: 1.7569667324755003
Energy: 1.7239141911886493
Energy: 1.7526304243592254
Energy: 1.7810371065631576
Energy: 1.8803665450994855
Energy: 1.7600964460171367
Energy: 1.8596019707820257
Energy: 1.8345024046090677
Energy: 1.8933450591257661
Energy: 1.7529191630693888
Energy: 1.8369904549732203
Energy: 1.8169957003845125
Energy: 1.6938437737556165
Energy: 1.8377037386245039
Energy: 1.7514485801946442
Energy: 1.759374449219913
Energy: 1.866959075944877
Energy: 1.9023173293187774
Energy: 1.821205198958371
Energy: 1.8963177003592886
Energy: 1.8469263865207877
Energy: 1.8106792417363995
Energy: 1.7037448698516455
Energy: 1.7115203129341676
Energy: 1.6947541058649458
Energy: 1.7276555530890945
Energy: 1.8226596273596483
Energy: 1.7496868768742226
Energy: 1.7086965134764422
Energy: 1.8059607007898586
Energy: 1.6947944771199686
Energy: 1.6826933987810797
Energy: 1.811167053360716
Energy: 1.7042576834331473
Energy: 1.7285363315505156
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Energy: 1.7278685964231426
Energy: 1.6984931683227042
Energy: 1.7107637796906712
Energy: 1.8076606218055746
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Energy: 1.7145175294204942
Energy: 1.7668195026248827
Energy: 1.703605990862136
Energy: 1.6886063773875999
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Energy: 1.8846340463153282
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Energy: 1.759266873880511
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Energy: 1.7966477051953915
Energy: 1.7011818175049103
Energy: 1.7815112631205
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Energy: 1.916416599782314
Energy: 1.8165681581954207
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Energy: 1.940230441577388
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Energy: 1.8270136496527118
Energy: 1.7307015064777125
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Energy: 1.7125776622222775
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Energy: 1.6985650707455848
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Energy: 1.7576939416786572
Energy: 1.7123073007173526
Energy: 1.747827200807223
Energy: 1.8073564147535162
Energy: 1.6913268024488881
Energy: 1.788942959881629
Energy: 1.715805245482038
Energy: 1.8796690206051492
Energy: 1.87367715551123
Energy: 1.7661379056906779
Energy: 1.9360524291798658
Energy: 1.7908764533847208
Energy: 1.8104098512998252
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Energy: 1.7197830396265896
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Energy: 1.7959833164676329
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Energy: 1.8500077698340205
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Energy: 1.7264510174372478
Energy: 1.929456194955011
Energy: 1.7776500519159155
Energy: 1.7785181653995181
Energy: 1.8797192811592518
Energy: 1.8624938481757538
Energy: 1.863072506294665
Energy: 1.768982360028832
Energy: 1.7126857786890513
Energy: 1.7291634553011503
Energy: 1.7936245294951232
Energy: 1.7993809658649917
Energy: 1.7188651591585984
Energy: 1.6930899353646527
Energy: 1.778924670247423
Energy: 1.868773557432954
Energy: 1.7072802912662455
Energy: 1.6967053438478592
Energy: 1.7014587815410498
Energy: 1.721144226512641
Energy: 1.7388585173606599
Energy: 1.729817541524893
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Energy: 1.7916602354861386
Energy: 1.8009903591501912
Energy: 1.6777162836975308
Energy: 1.8089973339908672
Energy: 1.7940811228573703
Energy: 1.7208176017625596
Energy: 1.730817673103344
Energy: 1.6955428965355046
Energy: 1.725126768615095
Energy: 1.7183210289960866
Energy: 1.7422318915241652
Energy: 1.8126294000725713
Energy: 1.7129495319132848
Energy: 1.84054747683011
Energy: 1.8392417067722306
Energy: 1.6926024194663385
Energy: 1.6950770751604285
Energy: 1.7311684330974466
Energy: 1.7577142062302549
Energy: 1.7332749106405114
Energy: 1.6986217290125991
Energy: 1.7088310523736792
Energy: 1.7836265885921248
Energy: 1.7940663431604265
Energy: 1.7202681225404994
Energy: 1.7054150707433189
Energy: 1.8723075357582617
Energy: 1.822323606479123
Energy: 1.9007267054227561
Energy: 1.806449053592906
Energy: 1.800852176559198
Energy: 1.6976190032983283
Energy: 1.8278376594349024
Energy: 1.7557667741207867
Energy: 1.7346708369387276
Energy: 1.842911881541819
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minimum gb energy = 1.669590225736517 eV
minimum distance =  2.21380560590965 Angstroms
sigma value = 105


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

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Energy: 1.7720074272862947
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Energy: 1.7377939214244722
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Energy: 1.818206526893857
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Energy: 1.9399381400084583
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Energy: 1.7237527658482967
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Energy: 1.7162091852745698
Energy: 1.8493201502985253
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Energy: 1.8595176007684207
Energy: 1.8151272155606821
Energy: 1.745118490934719
Energy: 1.7373238637419186
Energy: 1.837442970734822
Energy: 1.7323683729390993
Energy: 1.971048639077578
Energy: 1.8563843892693943
Energy: 1.8252909695162967
Energy: 1.854287558500417
Energy: 1.8439078587709516
Energy: 1.7410731097113392
Energy: 1.6990628782291843
Energy: 1.7192724451145922
Energy: 1.7873631477908765
Energy: 1.8020430424924034
Energy: 1.7565282506261917
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Energy: 1.838195378324546
Energy: 1.8420131276443403
Energy: 1.7295022868101149
Energy: 1.7512630238615268
Energy: 1.7039061502368469
Energy: 1.7026095763169
Energy: 1.7263546497075584
Energy: 1.7419734938860427
Energy: 1.7432870966466536
Energy: 1.7068431544097686
Energy: 1.7572707155280298
Energy: 1.7732694348609206
Energy: 1.7044792154552724
Energy: 1.7401205631859864
Energy: 1.7313812497223382
Energy: 1.7139390297687167
Energy: 1.686712769855061
Energy: 1.7540014090669107
Energy: 1.7428091860499932
Energy: 1.8183005903397398
Energy: 1.8079502852441212
Energy: 1.8010309687815407
Energy: 1.795471581819717
Energy: 1.7535342958615392
Energy: 1.872890487795329
Energy: 1.688082900999098
Energy: 1.700119121962559
Energy: 1.6991844370872309
Energy: 1.7952165556376352
Energy: 1.8278483984310951
Energy: 1.774086860090671
Energy: 1.7376677717618676
Energy: 1.7753245764476153
Energy: 1.9206836432714407
Energy: 1.935658307973987
Energy: 1.6740684108564652
Energy: 1.8457169536353675
Energy: 1.6896264628287088
Energy: 1.9901164377047458
Energy: 1.7820272088127198
Energy: 1.7299899165369237
Energy: 1.7514844233736981
Energy: 1.854945990617896
Energy: 1.7896172023539003
Energy: 1.6837557181467728
Energy: 1.9263043586137045
Energy: 1.932364658953315
Energy: 1.660320963589328

minimum gb energy = 1.600664576626508 eV
minimum distance =  2.26445832289084 Angstroms
sigma value = 165


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

Energy: 1.9088692532475136
Energy: 1.5879026095468365
Energy: 1.990326861435073
Energy: 1.7099102133452873
Energy: 1.7139671011460362
Energy: 1.7000371698850953
Energy: 1.6312458629350324
Energy: 1.6127390388827314
Energy: 1.9331518343355547
Energy: 1.583746121597176
Energy: 1.6690100919523454
Energy: 1.810861386279067
Energy: 1.9272220339882844
Energy: 2.0039176908233998
Energy: 1.814959998500801
Energy: 1.9305257494492627
Energy: 1.820315860612237
Energy: 1.6249284920676217
Energy: 1.7033512424176303
Energy: 1.7102410326911117
Energy: 1.6917210339428177
Energy: 1.638792328618394
Energy: 1.738920798006492
Energy: 1.8275321173420949
Energy: 1.983059853070903
Energy: 1.7465709623128938
Energy: 2.008450450553905
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Energy: 1.7218269432765991
Energy: 1.7399069058743486
Energy: 1.7113370033743067
Energy: 1.7249764792973183
Energy: 1.7030141616555634
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Energy: 2.009454507504225
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Energy: 1.6564266963882286
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Energy: 1.8198638261997755
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Energy: 1.9537681636535926
Energy: 2.0071401785346628
Energy: 2.0089802426012167
Energy: 1.8877235463863287
Energy: 1.901440305228404
Energy: 2.012340334356735
Energy: 2.008832016347253
Energy: 1.6359951385388571
Energy: 1.6947565102874231
Energy: 1.7397151655601872
Energy: 1.6775424928021294
Energy: 1.8164409438725824
Energy: 1.9257432158992012
Energy: 1.6194253099573468
Energy: 2.0067621418102872
Energy: 1.6822320389800571
Energy: 1.6291382646174721
Energy: 2.0092005784976696
Energy: 1.7853316455525905
Energy: 1.711965797785573
Energy: 1.6475512231488099
Energy: 1.650980779250856
Energy: 1.734289736299473
Energy: 1.6466812735853018
Energy: 1.622654642674153
Energy: 1.6248452539352232
Energy: 1.6212777867148098
Energy: 1.6745872048176973
Energy: 1.6985450736659962
Energy: 1.65722958404777
Energy: 1.7090512665575566
Energy: 1.7052671815931324
Energy: 1.6895253767621616
Energy: 1.6246827464594522
Energy: 1.6231582904287032
Energy: 1.6284046238648915
Energy: 1.71743475874236
Energy: 1.7074314823272396
Energy: 1.6489726590485174
Energy: 1.6642053851199508
Energy: 1.6703632420246874
Energy: 1.674504172011975
Energy: 1.62692471294663
Energy: 1.6240237645851463
Energy: 1.6325136727000045
Energy: 1.6458753619939255
Energy: 1.7388465031641294
Energy: 1.709810391764649
Energy: 1.612928910705758
Energy: 1.7227535102711797
Energy: 1.8066720503291096
Energy: 2.006236188644671
Energy: 1.6222023913603263
Energy: 1.7097968701058428
Energy: 1.6312525634417971
Energy: 1.6692989671459766
Energy: 1.7344805246950892
Energy: 1.6371874602236347
Energy: 1.6592778755078295
Energy: 1.705831471532411
Energy: 1.7294043460058934
Energy: 1.7669076351217126
Energy: 1.7655586701995272
Energy: 1.6453342223513514
Energy: 1.9300854199516209

minimum gb energy = 1.583746121597176 eV
minimum distance =  2.24278731195901 Angstroms
sigma value = 41


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

Energy: 3.1903145031060336
Energy: 1.5628233829473739
Energy: 1.761607846847305
Energy: 1.641382763407371
Energy: 1.652236632877044
Energy: 1.7819483471057276
Energy: 1.7556263018793254
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Energy: 1.7515840649720502
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Energy: 1.7101193416448306
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Energy: 1.6012239335017295
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Energy: 1.6115521582127312
Energy: 1.5168003809586132
Energy: 1.6157136671637953
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Energy: 1.7073244935290721
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Energy: 1.6407282647973276
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Energy: 1.668140244102112
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Energy: 1.4258476786946157
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Energy: 1.5517560953823575
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Energy: 1.756074351044803
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Energy: 1.7628485766383868
Energy: 1.6658869495257183
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Energy: 1.6192042844471861
Energy: 1.7469126370784056
Energy: 1.8275546953976407
Energy: 1.6723754169002343
Energy: 1.7159013713273603
Energy: 1.7040698726254468
Energy: 1.5176928707883115
Energy: 1.7922299161658386
Energy: 1.737366034222254
Energy: 1.8663461498912792
Energy: 1.627742204700058
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Energy: 1.5086450001392886
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Energy: 1.4944278562905664
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Energy: 1.6076396085273448
Energy: 1.683534322850277
Energy: 1.6981355400927374
Energy: 1.6632641184982202
Energy: 1.766808986252238
Energy: 1.9017661477180505
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Energy: 1.5968135376642054
Energy: 1.4550847747357707
Energy: 1.4961554472249607
Energy: 1.6654197559654982
Energy: 1.691868614114453
Energy: 1.7814466126922215
Energy: 1.7827345205345675
Energy: 1.6631517050687639
Energy: 1.6151509698829614
Energy: 1.564219950876604
Energy: 1.384461304690138
Energy: 1.5326872792695598
Energy: 1.6156369739691852
Energy: 1.6315670570566279
Energy: 1.7001063924173807
Energy: 1.6936205218520246
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Energy: 1.6733700457858802
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Energy: 1.609020352073982
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Energy: 1.5587643504817528
Energy: 1.5812617092374723
Energy: 1.657956802254547
Energy: 1.6721891567913962
Energy: 1.649675998329432
Energy: 1.6673191066593773
Energy: 1.8640821302763864
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Energy: 1.6485978342514047
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Energy: 1.5455680522726627
Energy: 1.5596150083923759
Energy: 1.666947395291724
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Energy: 1.6959180504835205
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Energy: 1.631800754605083
Energy: 1.491467878542629
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Energy: 1.585525409309449
Energy: 1.6658464768609624
Energy: 1.6970126633202727
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Energy: 1.7372842184142394
Energy: 1.6277620176857186
Energy: 1.4457233475294606
Energy: 1.6010135827413412
Energy: 1.7053137711611857
Energy: 1.5863387148875048
Energy: 1.8232507830852813
Energy: 1.829999411277816
Energy: 1.7662506272656404
Energy: 1.6680286466347303
Energy: 1.5635289609983773
Energy: 1.564456784160164
Energy: 1.6713881285000376
Energy: 1.730936709110185
Energy: 1.7256983615515487
Energy: 1.7346329259105233
Energy: 1.61117598573261
Energy: 1.804834781027806
Energy: 1.7765996547096932
Energy: 1.629684642866074
Energy: 1.5287360541558896
Energy: 1.5647198138627372
Energy: 1.7281348993315293
Energy: 1.8225739780015011
Energy: 1.5873613962376416
Energy: 1.6882338169107542
Energy: 1.5089214698441593
Energy: 1.6526807584560204
Energy: 1.5187661009458273
Energy: 1.4853793450207657
Energy: 1.4387191134438961
Energy: 1.5885669951625898
Energy: 1.7698256993302717
Energy: 1.6051996964237367
Energy: 1.6070496195547033
Energy: 1.565909687053726
Energy: 1.6374162191213564
Energy: 1.5649847959689152
Energy: 1.743655724062586
Energy: 1.7153167920420869
Energy: 1.5905600684280514
Energy: 1.6066341859796305
Energy: 1.5956362275911031
Energy: 1.6111833792938197
Energy: 1.559211576396379
Energy: 1.557036605708884
Energy: 1.5644684670505977
Energy: 1.6957478106069657
Energy: 1.8030537162916807
Energy: 1.7494999977341814
Energy: 1.797805599588702
Energy: 1.6169714815509695
Energy: 1.586415286039848
Energy: 1.595132398924672
Energy: 1.5582167658300436
Energy: 1.6242740241664784
Energy: 1.7010966366261702
Energy: 1.5678261211832054
Energy: 1.7092874535204476
Energy: 1.662588267845256
Energy: 1.8130287083825019
Energy: 1.6972045017388098
Energy: 1.5889164503833604
Energy: 1.5596298731158542
Energy: 1.7180142344762437
Energy: 1.6906553306665537
Energy: 1.6583260521195187
Energy: 1.6793886037535077
Energy: 1.6765703832114887
Energy: 1.729558864098697
Energy: 1.6669687835229767
Energy: 1.7378128245943296
Energy: 1.762204844273866

minimum gb energy = 1.3810079050263713 eV
minimum distance =  2.23874443937832 Angstroms
sigma value = 185


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

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Energy: 1.5318334251464278
Energy: 1.7516709949210054
Energy: 1.7001652201145512
Energy: 1.6939266374909954
Energy: 1.8043092407822126
Energy: 1.8750421590267894
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Energy: 1.9285359949320984
Energy: 1.702013802087052
Energy: 1.6220469433355238
Energy: 1.6200813706840544
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Energy: 1.7159047295605392
Energy: 1.8751015590684028
Energy: 1.5509098441388598
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Energy: 1.7856383337153787
Energy: 1.8750149287843771
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Energy: 1.722505185792217
Energy: 1.6527646911695086
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Energy: 1.8071613510259026
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Energy: 1.9092179765741488
Energy: 1.7088511131133286
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Energy: 1.8848298669486465
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Energy: 1.5253531596964518
Energy: 1.6071857373204972
Energy: 1.5813306469844528
Energy: 1.8786137861319456
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Energy: 1.7300531174357536
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Energy: 1.7450910032278215
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Energy: 1.6035557376744747
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Energy: 1.688239364468121
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Energy: 1.6311605875554545
Energy: 2.090509884686513
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Energy: 1.732240078819199
Energy: 1.6779353250713442
Energy: 1.7009269566645397
Energy: 1.654761184942639
Energy: 1.7614240462539774
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Energy: 1.6810397925834253
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Energy: 1.8334957451055316
Energy: 1.786980311888029
Energy: 1.7266608001095682
Energy: 1.689842290529509
Energy: 1.6181352009309218
Energy: 1.6305759673135714
Energy: 1.6900209673033881
Energy: 1.904981620707691
Energy: 1.8644038919548254
Energy: 1.7459407207037365
Energy: 1.5491241213736382
Energy: 1.7891988663525185
Energy: 1.8793937585141076
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Energy: 1.9063494344952163
Energy: 1.675702770851101
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Energy: 1.870599575944715
Energy: 1.8620238723034896
Energy: 1.5663084350758059
Energy: 1.580079012252979
Energy: 1.7449092264325354
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Energy: 1.737058549756577
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Energy: 1.7943868674839973
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Energy: 1.7029821049435432
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Energy: 1.5767144106933673
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Energy: 1.9629805993581173
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Energy: 1.7225195517507987
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Energy: 1.9450855186543385
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Energy: 1.6258617947100449
Energy: 1.6569940679407489
Energy: 1.6638986002980434
Energy: 1.7240303660751692
Energy: 1.670159110176187
Energy: 1.568718939949041
Energy: 1.8084306705326059
Energy: 1.9051993409351904
Energy: 1.5448840621202384
Energy: 1.8461918453705612
Energy: 1.798777550873177
Energy: 1.8510821518087657
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Energy: 1.7194862485881812
Energy: 1.6581476882563018
Energy: 1.6006650264221844
Energy: 1.627894345463213
Energy: 1.5539146398721446
Energy: 1.57126052989027
Energy: 1.517546145342416
Energy: 1.8293839272685477
Energy: 1.8769567962334661
Energy: 1.877255764169895
Energy: 1.7351184025030013
Energy: 1.7458638018870551
Energy: 1.784747587928559
Energy: 1.9081197034171278
Energy: 1.579917850098928
Energy: 1.866340176601199
Energy: 1.7786624531354118
Energy: 1.790115260974378
Energy: 1.6778801096533456
Energy: 1.5519019181119318
Energy: 1.6193930255149935
Energy: 1.6335297868944043
Energy: 1.876438745719232
Energy: 1.8789894904087496
Energy: 1.90660218674076
Energy: 1.5727563433002043
Energy: 1.6008981913615725
Energy: 1.7646861474947166
Energy: 1.7159986623342045
Energy: 1.7105777287762074
Energy: 1.745621908501728
Energy: 1.5464092873781992
Energy: 1.5660322753699139
Energy: 1.9034337719645866
Energy: 1.564271285603241
Energy: 1.5662744895768674
Energy: 1.598620032198577
Energy: 1.5992948170051955
Energy: 1.664777334503404
Energy: 1.6936469219190162
Energy: 1.7632050906251966
Energy: 1.769075130099048
Energy: 1.8981844943290453
Energy: 1.8904256446466197
Energy: 1.7602002203255582
Energy: 1.7584905537047273
Energy: 1.7646879104066675
Energy: 1.6502845207458576
Energy: 1.6947179028190775
Energy: 1.59413640486344
Energy: 1.7274102529793673
Energy: 1.6367025574822769
Energy: 1.5875064378712627
Energy: 1.7973533886351185
Energy: 1.882702540952166
Energy: 1.7654968345960305
Energy: 1.942992353208873
Energy: 1.9032279862828614
Energy: 1.6960493901722806
Energy: 1.7033248457775918
Energy: 1.712750202205082
Energy: 1.5866407547672643
Energy: 1.636196175186455
Energy: 1.7261658112045006
Energy: 1.6101311710277058

minimum gb energy = 1.517546145342416 eV
minimum distance =  2.24749511373614 Angstroms
sigma value = 33


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

Energy: 1.913815913878255
Energy: 1.79353791173645
Energy: 1.7533419578392981
Energy: 1.686506207968099
Energy: 1.727245946048078
Energy: 1.9319123952300599
Energy: 1.85968839843121
Energy: 1.8568551395280903
Energy: 1.7487917790468477
Energy: 1.8339587926667378
Energy: 1.5831144706317943
Energy: 1.8590407598372736
Energy: 1.8848303064471996
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Energy: 1.74398188142659
Energy: 1.8926273067954793
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Energy: 1.7525832324649198
Energy: 1.605660468898691
Energy: 1.600593522712187
Energy: 1.5988397284881937
Energy: 1.7515598557922767
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Energy: 1.6752800041677642
Energy: 1.8039422484309595
Energy: 1.6096857985351718
Energy: 1.6063653409668572
Energy: 1.605822618163222
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Energy: 1.5809143838646131
Energy: 1.5898511211937696
Energy: 1.5999281426104142
Energy: 1.6025553547938154
Energy: 1.7430153842002196
Energy: 1.6892295850028658
Energy: 1.716913683336161
Energy: 1.7563208643133827
Energy: 1.7555367611757005
Energy: 1.5869349310809813
Energy: 1.5943000709907018
Energy: 1.6021913238157732
Energy: 1.6032489524442044
Energy: 1.6179474330168993
Energy: 1.8068691249308624
Energy: 1.8229298999908425
Energy: 1.71814694173603
Energy: 2.1005836643336973
Energy: 1.9448965181271327
Energy: 1.6007643606822408
Energy: 1.5928003098792274
Energy: 1.8469739598343586
Energy: 1.853509304995278
Energy: 1.8303318176967789
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Energy: 1.8087512445660696
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Energy: 1.7768051431715728
Energy: 1.8866474978694012
Energy: 1.830074643330863
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Energy: 1.8861340159061468
Energy: 1.7523399558289987
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Energy: 1.6938835935376535
Energy: 1.9092281665788418
Energy: 1.7483632861004907
Energy: 1.5621072669462224
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Energy: 1.863882647251096
Energy: 1.772551542270341
Energy: 1.7086639254366776
Energy: 1.5922733746283633
Energy: 1.6501946424964875
Energy: 1.5728099913976752
Energy: 1.6311763881433479
Energy: 1.6035187721414164
Energy: 1.855282090933885
Energy: 1.8524685561346526
Energy: 1.8676896945911448
Energy: 1.865450832351733
Energy: 1.5791478025839167
Energy: 1.5789361848382841
Energy: 1.5872758212875198
Energy: 1.5740332723062451
Energy: 1.5757529035176816
Energy: 1.613007482072107
Energy: 1.5993537362480124
Energy: 1.7942605959909634
Energy: 1.739743670130891
Energy: 1.9042937236871362
Energy: 1.567209591337454
Energy: 1.6225857303360947
Energy: 1.7541556813988046
Energy: 1.6077592890864376
Energy: 1.621468662109569
Energy: 1.7410117047318787
Energy: 1.7322237429487395
Energy: 1.8526641790148624
Energy: 1.9054093376163659
Energy: 1.805035003608615
Energy: 1.823798342953727
Energy: 1.8224648131135488
Energy: 1.8273156812768447
Energy: 1.8066115079389549
Energy: 1.7735252865719475
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Energy: 1.917719019134607
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Energy: 1.7109490589613237
Energy: 1.5896316470240688
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Energy: 1.57407757145261
Energy: 1.5705532407907021
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Energy: 1.5953992590527932
Energy: 1.8584998091620255
Energy: 1.8100653063818275
Energy: 1.8456036597797756
Energy: 1.6138767340302234
Energy: 1.6020174230381583
Energy: 1.6911034755913945
Energy: 1.5686869502403247
Energy: 1.6121879135190065
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Energy: 1.7403015345509043
Energy: 1.810522019359225
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Energy: 1.7263309971938443
Energy: 1.8673699488517836
Energy: 1.8579336974038028
Energy: 1.7425842304548878
Energy: 1.6309270564823628

minimum gb energy = 1.5489133370564991 eV
minimum distance =  2.24655702635232 Angstroms
sigma value = 219


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

Energy: 2.664032891392911
Energy: 1.5260876457779877
Energy: 1.550378472310188
Energy: 1.5880668148992068
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Energy: 1.5520642707073566
Energy: 1.523858709489744
Energy: 1.5273454955536487
Energy: 1.5512777720028241
Energy: 1.5655233800325996
Energy: 1.536116404976483
Energy: 1.5286406743172518
Energy: 1.5667006938176011
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Energy: 1.5336263281705298
Energy: 1.532544034027103
Energy: 1.6065202232459472
Energy: 1.5020666658559654
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Energy: 1.529557364909664
Energy: 1.5552787538914532
Energy: 1.5278947822521514
Energy: 1.519942059934885
Energy: 1.5215917133399082
Energy: 1.5567723736378543
Energy: 1.5321946017731531

minimum gb energy = 1.5020666658559654 eV
minimum distance =  2.30280458576443 Angstroms
sigma value = 15


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

Energy: 2.1870443814392204
Energy: 2.0171055251383785
Energy: 1.933042713620645
Energy: 1.8770887580230815
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Energy: 1.8270624555182493
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Energy: 1.8718565247083512
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Energy: 1.818192761588289
Energy: 1.8273995325972252
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Energy: 1.9119952314379962
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Energy: 1.9551773273481785
Energy: 1.89886630382072
Energy: 1.8485347904744682
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minimum gb energy = 1.7456097100906245 eV
minimum distance =  2.24013708706864 Angstroms
sigma value = 293


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

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Energy: 1.815971335733611
Energy: 2.0538945168987395
Energy: 1.855136654746924
Energy: 1.9420211743595939
Energy: 1.8975504031805215
Energy: 1.8111738999148395
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Energy: 1.761495402935531
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Energy: 1.7855738628317226
Energy: 1.7421533888224758
Energy: 1.8088488108077594
Energy: 1.8671116015290967
Energy: 1.879293016232086
Energy: 1.8077075530904019
Energy: 1.819623781367615
Energy: 1.8529556367556403
Energy: 1.8558921828458363
Energy: 1.8297606168181355
Energy: 1.8471899485892949
Energy: 1.7631968436131487
Energy: 1.7354170435829888
Energy: 1.7855011356015669
Energy: 1.7904566221740845
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Energy: 1.8284653470865209
Energy: 1.8428788275470034
Energy: 1.971927538385068
Energy: 1.988702985044483
Energy: 1.8689525116301684
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Energy: 1.8041974778101721
Energy: 1.825193839029741
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Energy: 1.8106600997312303
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Energy: 1.8531950618265398
Energy: 2.1141944747621215
Energy: 1.9600717600308748
Energy: 1.7950753939299098
Energy: 1.793613888300043
Energy: 1.7451983018246555
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Energy: 1.8405434035462447
Energy: 1.857017154303119
Energy: 1.8375423619116595
Energy: 1.8666210506833467
Energy: 1.886337794754798
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Energy: 1.7411326123915751
Energy: 1.822398708554909
Energy: 1.9131116998093365
Energy: 1.7935279053511097
Energy: 1.7811492333549317
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Energy: 2.133712739399433
Energy: 1.8073852505593515
Energy: 1.765698554194104
Energy: 1.8139382050561583
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Energy: 1.886446765909824
Energy: 2.067955123000774
Energy: 1.9556233356492256
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Energy: 1.7720433938461018
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Energy: 1.7245304328103688
Energy: 1.7728764963312615
Energy: 1.7897620301869186
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Energy: 1.81615174701859
Energy: 1.7850224834364896
Energy: 1.7834059648224156
Energy: 1.7582942392280818
Energy: 1.8855788290223698
Energy: 1.8259794142177477
Energy: 2.2737389618261408
Energy: 1.770826697510555
Energy: 1.7801882651620409
Energy: 1.8052740744821674
Energy: 1.8261638185367992
Energy: 1.7873619231392563
Energy: 1.9061997024347226
Energy: 1.889622470471167
Energy: 1.797223531735843
Energy: 1.7744038221216252
Energy: 1.9062777484295432
Energy: 1.9106899390664596
Energy: 1.8066938923869855
Energy: 1.8067347427605223
Energy: 1.8265319330130267
Energy: 1.8049271066312216
Energy: 1.9007855765264527
Energy: 1.969754900860771
Energy: 1.8883572160045181
Energy: 1.8144554729833773
Energy: 1.8535847038607836
Energy: 1.9439799917974907
Energy: 1.853759334719512
Energy: 1.8110771120685736
Energy: 1.8032993040353689
Energy: 1.7903016652952708
Energy: 1.7874800506423723
Energy: 1.8929621606264841
Energy: 2.2154441175766237
Energy: 1.8978751360577026
Energy: 1.9861476077871376
Energy: 1.9500547071219392
Energy: 1.746136367968215
Energy: 1.7620309211596492
Energy: 1.7906236916157032
Energy: 1.7925441467801677
Energy: 1.886210327344666
Energy: 1.7638204085957456
Energy: 1.888136006617728
Energy: 1.952764804941181
Energy: 1.8698951313479004
Energy: 2.004780130977549
Energy: 1.9431246246481864
Energy: 1.984678540434682
Energy: 1.980838825251667
Energy: 1.7822029193172495
Energy: 1.7715852757125654
Energy: 1.7842284695563222
Energy: 1.8055689814433034
Energy: 1.8098118640066811
Energy: 1.7999719523143802
Energy: 1.9149873100860393
Energy: 2.0289427506186795
Energy: 1.9857266308324786
Energy: 1.7789677358063927
Energy: 1.7909448873592908
Energy: 1.7154922833234287
Energy: 1.7441217190558151
Energy: 1.7693381465882756
Energy: 1.8112126493769356
Energy: 1.8709776448840802
Energy: 1.9105360286126754
Energy: 1.8454421840863444
Energy: 1.7867829666285537
Energy: 1.812757247690356
Energy: 1.8583703006841705
Energy: 1.7762435855447511
Energy: 1.7425685135234272
Energy: 1.8261225108639556
Energy: 2.1340208605227318
Energy: 1.7343859733737357
Energy: 1.8193580809952177
Energy: 1.8293722000159125

minimum gb energy = 1.7154922833234287 eV
minimum distance =  2.24889359284244 Angstroms
sigma value = 293


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

Energy: 2.10689697619404
Energy: 1.862239289605705
Energy: 1.585439418373983
Energy: 1.8558108109822946
Energy: 1.5715737361961182
Energy: 1.8773673537613094
Energy: 1.6056801020065807
Energy: 1.5833327930252479
Energy: 1.6033230194134647
Energy: 1.8661182758601216
Energy: 1.5931197348957007
Energy: 1.6217496057084584
Energy: 1.7852491889988353
Energy: 1.6521270013282046
Energy: 1.638164841732961
Energy: 1.6020666070177827
Energy: 1.5979388494569353
Energy: 1.7783856957324853
Energy: 1.8750439573891944
Energy: 1.6234617072918274
Energy: 1.7870501764767266
Energy: 1.7886478635686427
Energy: 1.6011750920670609
Energy: 1.5862524388350852
Energy: 1.7749744229840896
Energy: 1.6872161469286002
Energy: 1.7782689094577921
Energy: 1.5976194188633623
Energy: 1.5838947584985403
Energy: 1.5861730112513965
Energy: 1.6149922972800799
Energy: 1.5929226066383089
Energy: 1.8643643809077453
Energy: 1.829807435599046
Energy: 1.8938389937858129
Energy: 1.8045956297855146
Energy: 1.6287305044631353
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Energy: 1.4507950713352566
Energy: 1.6041231651018981
Energy: 1.6228435264348715
Energy: 1.8467515048206056
Energy: 1.592262037327875
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Energy: 1.6383379810903698
Energy: 1.6655742891317271
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Energy: 1.631904668844582
Energy: 1.5978322040761315
Energy: 1.65302227322638
Energy: 1.633004708806976
Energy: 1.6312670610046642
Energy: 1.8518282969409618
Energy: 1.9236373785232121
Energy: 1.772943666763586
Energy: 1.8850006665596701
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Energy: 1.7930198097774097
Energy: 1.6974958582522934
Energy: 1.7766116923475457
Energy: 1.5983006550307484
Energy: 1.7717230703027576
Energy: 1.7899219301498461
Energy: 1.882096970251984
Energy: 1.5874577665240333
Energy: 1.8020572109529476
Energy: 1.887869913656503
Energy: 1.7811781320358548
Energy: 1.5925293658458284
Energy: 1.600400207124873
Energy: 1.4504619460356014
Energy: 1.6039770908027027
Energy: 1.6025214815922204
Energy: 1.5919087207815756
Energy: 1.8452899854383944
Energy: 1.694070139844655
Energy: 1.856740961765069
Energy: 1.5857419827811123
Energy: 1.587759277461455
Energy: 1.6650065981804316
Energy: 1.597565254965367
Energy: 1.7953019915691502
Energy: 1.877167863705783
Energy: 1.865745532254592
Energy: 1.6212246360875084
Energy: 1.6177363063491652
Energy: 1.6834850626732374
Energy: 1.682955328170122
Energy: 1.6176385681919236
Energy: 1.6418819578492767
Energy: 1.5826323618809313
Energy: 1.7234169550348197
Energy: 1.600149442861322
Energy: 1.6017835221291954
Energy: 1.772749639975156
Energy: 1.8791600279345337
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Energy: 1.8594598514035723
Energy: 1.7270804968679485
Energy: 1.774208972371615
Energy: 1.6407594947466906
Energy: 1.60267086297721
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Energy: 1.6787093707525829
Energy: 1.5887304728973768
Energy: 1.5936868064604697
Energy: 1.7225262806457216
Energy: 1.8924315858646237
Energy: 1.806949091035288
Energy: 1.7240535934092711
Energy: 1.8785983315174195
Energy: 1.5973724310662099
Energy: 1.5936197759944295
Energy: 1.6022999734847942
Energy: 1.8581901972222747
Energy: 1.8490042453753368
Energy: 1.717354460651091
Energy: 1.5862713888093927
Energy: 1.8552287350220775
Energy: 1.6205456355740953
Energy: 1.604304300422371
Energy: 1.599804243562868
Energy: 1.778284411763058
Energy: 1.692089079892409
Energy: 1.63794574925423
Energy: 1.6198843739356734
Energy: 1.8833492992855547
Energy: 1.7857132401516114
Energy: 1.654148725531216
Energy: 1.638281425395699
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Energy: 1.7775457451450067
Energy: 1.5954755305635788
Energy: 1.584862009067134
Energy: 1.5882430077624545
Energy: 1.7854873113598178
Energy: 1.7908247005508162
Energy: 1.6042746615792434
Energy: 1.5872984509453443
Energy: 1.8894927186328765
Energy: 1.806735606767561
Energy: 1.6172209002237536
Energy: 1.638898851204783
Energy: 1.4496727718900102
Energy: 1.6050103924615797
Energy: 1.6139961603642063
Energy: 1.5924338143003982
Energy: 1.866495171318945
Energy: 1.828235443619292
Energy: 1.8882525022148648
Energy: 1.5593961063738402
Energy: 1.6928066787944882
Energy: 1.626988285380609
Energy: 1.5971452740729573
Energy: 1.5997521139488655
Energy: 1.6243226799173949
Energy: 1.851189158358585
Energy: 1.5930016926530208
Energy: 1.6286390169724936
Energy: 1.6385696756622379
Energy: 1.6226079239600373
Energy: 1.6003391713555977
Energy: 1.793907718549682
Energy: 1.7800205402602918
Energy: 1.777786115314427
Energy: 1.6323106703527541
Energy: 1.6178757419661338
Energy: 1.8512055204993554
Energy: 1.925083789774506
Energy: 1.6794275773134044
Energy: 1.805311173359151
Energy: 1.8880893763334854
Energy: 1.692034063331594
Energy: 1.5880930526208406
Energy: 1.5981248314505718
Energy: 1.5683969947502074
Energy: 1.7857513718678029
Energy: 1.7901836687453967
Energy: 1.6208641523966516
Energy: 1.7237710069297512
Energy: 1.723828135920923
Energy: 1.8547274036133448
Energy: 1.58838303855034
Energy: 1.5883332744352832
Energy: 1.6661611403527186
Energy: 1.5823078376974549
Energy: 1.6001055135663391
Energy: 1.6024432611009052
Energy: 1.5927924944082676
Energy: 1.846489490470458
Energy: 1.6167875699247904
Energy: 1.6850381266104655
Energy: 1.6526725785952396
Energy: 1.6158573582583948
Energy: 1.643859610066163
Energy: 1.598538705555701
Energy: 1.780364017282576
Energy: 1.6686537593399178
Energy: 1.593559196848679
Energy: 1.6205924531398188
Energy: 1.829911685301275
Energy: 1.5857774109516158
Energy: 1.8567457195644324
Energy: 1.7943841736635275
Energy: 1.775182819645495
Energy: 1.5834669239389865
Energy: 1.6006008818092259
Energy: 1.6002713558607249
Energy: 1.8029831753928962
Energy: 1.7855854334693015
Energy: 1.593174720405019
Energy: 1.7217869698185575
Energy: 1.9100838968558513
Energy: 1.780731850700649
Energy: 1.7253391322728726
Energy: 1.6395446039453976
Energy: 1.60172008082234
Energy: 1.6597873994371974
Energy: 1.5728565218982034
Energy: 1.6210530071647564

minimum gb energy = 1.4496727718900102 eV
minimum distance =  2.28095248714574 Angstroms
sigma value = 15


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

Energy: 2.0903421385438996
Energy: 1.7551995358914763
Energy: 1.7535989309883757
Energy: 1.7476005444635343
Energy: 1.768826152012505
Energy: 1.7229183205554273
Energy: 1.9788347857818076
Energy: 1.7410147363913784
Energy: 1.7443052053242447
Energy: 1.7864368166759754
Energy: 1.849086531208359
Energy: 2.121080881079628
Energy: 2.0089856339443144
Energy: 2.006794336028867
Energy: 1.7572824526629842
Energy: 1.754426057595343
Energy: 1.6801179076765642
Energy: 1.6964317474526414
Energy: 1.7425173359368942
Energy: 1.8561012447956344
Energy: 1.954240563064323
Energy: 1.8035980794614892
Energy: 1.8729914215522385
Energy: 1.833934804651642
Energy: 1.7727796133615819
Energy: 1.7365448980974545
Energy: 1.7505771209721737
Energy: 1.7220227743400651
Energy: 1.7491211937546765
Energy: 1.9840034766639403
Energy: 1.922153580350333
Energy: 1.897800869565695
Energy: 1.877272648181295
Energy: 1.7218006036363722
Energy: 1.7803608032368239
Energy: 1.739808643905143
Energy: 1.7431473797731065
Energy: 1.747851810066707
Energy: 2.028654680147048
Energy: 1.937776556358036
Energy: 1.7075611742321943
Energy: 1.8375295283536717
Energy: 1.754705457090986
Energy: 1.7454075253953547
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Energy: 1.9729311318971217
Energy: 1.8041367670499757
Energy: 1.7538769231229203
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Energy: 1.894417915644867
Energy: 1.9452204612784714
Energy: 2.009345499817984
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Energy: 1.7529361096329734
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Energy: 1.804604192045355
Energy: 1.7846132521149753
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Energy: 1.8075491119116984
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Energy: 1.8241335314856573
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Energy: 1.8014570784203503
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Energy: 1.7917217436155954
Energy: 1.8513167282835685
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Energy: 1.837239149024745
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Energy: 1.8064045808408233
Energy: 1.7473546396654398
Energy: 1.859844223248484
Energy: 1.9474761724680225
Energy: 1.953317062020128
Energy: 1.8700975291964061
Energy: 1.8374922051425393
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Energy: 1.7764314156102348
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Energy: 1.759725330172524
Energy: 1.7537800643124717
Energy: 1.918039174106743
Energy: 1.7558384898009076
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Energy: 1.9448068019216218
Energy: 1.7171664001004612
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Energy: 1.810147151598156
Energy: 1.9722669060481555
Energy: 1.9231709889791861
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Energy: 1.7653100291490629
Energy: 1.7533583793237546
Energy: 1.8876636476745892
Energy: 1.8606025867987455
Energy: 1.9345551384641382
Energy: 1.927467625594791
Energy: 1.9982253176448264
Energy: 1.7447559859834607
Energy: 1.7624869790516906
Energy: 1.7365980988000047
Energy: 1.7677860189471644
Energy: 1.7606755037264157
Energy: 1.8851689312392743
Energy: 2.106565166750222
Energy: 1.9999914928078444
Energy: 1.9810846325921174
Energy: 1.7562683893377338
Energy: 1.724059290743382
Energy: 1.719057139204465
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Energy: 1.7315563586898444
Energy: 1.9999438198770132
Energy: 1.9404420371857813
Energy: 2.0917531867497443
Energy: 1.8621791339835785
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Energy: 1.7069534880912065
Energy: 1.7004242958679912
Energy: 1.7338351303696473
Energy: 1.7444999101774699
Energy: 1.752863131645092
Energy: 1.7543503240258163
Energy: 1.7592758476107757
Energy: 1.8790306437240687
Energy: 1.7805756118648635
Energy: 1.7463237609134994
Energy: 1.7437732430355923
Energy: 1.983789287207341
Energy: 1.7190000423192324
Energy: 1.7684999823486156
Energy: 1.6941698670404235
Energy: 1.729163129003842
Energy: 1.8617618093257111
Energy: 1.906936158404935
Energy: 1.8174097562940035
Energy: 1.9912992943097358
Energy: 1.9945120748207568
Energy: 1.7439547153455786
Energy: 1.736759629374676
Energy: 1.7099432113277127
Energy: 1.7366627443605995
Energy: 1.7810447836228196
Energy: 1.8481889328485763
Energy: 1.8805814714289102
Energy: 1.903195897721913
Energy: 1.8822883678353581
Energy: 1.833442891781901
Energy: 1.7419388605027335
Energy: 1.760513849050128
Energy: 1.7641326137280195
Energy: 1.805621014786495
Energy: 1.8873426298477645
Energy: 1.9637617949499764
Energy: 1.794425826326068
Energy: 1.902952370426479
Energy: 1.8024992069936343
Energy: 1.8938089625414947
Energy: 1.823552333798637
Energy: 1.7849828068467417
Energy: 1.752387524089673
Energy: 1.7427461191766458
Energy: 1.8538876604672097
Energy: 1.7472853214860533
Energy: 1.7595086517180636
Energy: 1.8428934656154563
Energy: 1.8457924160652888
Energy: 1.7955419987959955
Energy: 1.9238423492496612
Energy: 1.7577129326460503
Energy: 1.8523680623681171
Energy: 1.7628710692563954
Energy: 1.875610257214394
Energy: 1.906314486981875
Energy: 2.022568894778771
Energy: 1.9018260870114583
Energy: 1.8421972590568187
Energy: 1.9081258298882566
Energy: 1.8724301361257654
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Energy: 1.7810604043838965
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Energy: 1.734176440509089
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Energy: 1.9994853900273675
Energy: 1.8690390360315154
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Energy: 1.7534264812624119
Energy: 1.927223483523709
Energy: 1.802524243716829
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Energy: 1.9014049293925657
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Energy: 1.9079375740273004
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Energy: 1.7327323932612733
Energy: 1.7616426017089086
Energy: 1.9821826525302353
Energy: 2.0085139132331857
Energy: 2.134476856054724
Energy: 1.9349062042872553
Energy: 1.8368029130485153
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Energy: 1.7106788437176572
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Energy: 1.730244423202515
Energy: 1.9545454038059227
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Energy: 1.9889135783274914
Energy: 1.7494211562558668
Energy: 1.7462452786731
Energy: 1.7118678561599134
Energy: 1.7160534101116336
Energy: 1.7606228419722796
Energy: 1.8613799733818677
Energy: 1.9107360147412078
Energy: 2.122489692889393
Energy: 1.936483910596401
Energy: 1.739542154316554
Energy: 1.7557204070909551
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Energy: 1.746558985608849
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Energy: 1.7373657052432587
Energy: 1.924628464766701
Energy: 1.9376208674930362
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Energy: 1.9463114947491595
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Energy: 1.933128225815483
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Energy: 1.7380708392207707
Energy: 1.7166783859631338
Energy: 1.8704794457001324
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Energy: 1.7522339714843649
Energy: 1.7566209090810119
Energy: 1.7564338251473133
Energy: 1.7894046716386522
Energy: 1.783052406782091
Energy: 2.0171187232549164
Energy: 1.888132058152943
Energy: 1.8906245784960856
Energy: 1.953581072341109
Energy: 1.9174039233840852
Energy: 1.7416199104169914
Energy: 1.8361250540562315
Energy: 1.802471060867915
Energy: 1.822296008921614
Energy: 1.8371188995231478
Energy: 1.7679271363789817
Energy: 1.8380990563493018
Energy: 1.8343344533376709
Energy: 1.8111013719629296
Energy: 1.8869706794565182
Energy: 1.8241820961096626
Energy: 1.8214803189706965
Energy: 1.7496223730760374
Energy: 1.8155545519770349
Energy: 1.8122419053363905
Energy: 1.752932613261256
Energy: 1.821127291430505
Energy: 1.808065765796481
Energy: 1.7406747120339485
Energy: 1.8475512683663016
Energy: 1.8343612021495082
Energy: 1.8096403784834707
Energy: 1.8057610402263569
Energy: 1.7555893382754653
Energy: 1.8869413534859147
Energy: 1.823432444328255
Energy: 1.834176921412264
Energy: 1.81533754151001
Energy: 1.7628346888338582
Energy: 1.8351190811544655
Energy: 1.8160626855709208
Energy: 1.8393276936697287
Energy: 1.7523912318983674
Energy: 1.7626655874832307
Energy: 1.9199746415534553
Energy: 1.9612839325136429
Energy: 1.7840658116855832
Energy: 1.8117014759648358
Energy: 1.8881955461252724
Energy: 1.8472506925842866
Energy: 1.8166688799798112
Energy: 1.9736367705431312
Energy: 1.953392283395271
Energy: 1.923578774748303
Energy: 1.8679090216539762
Energy: 1.7375099303976322
Energy: 1.8035378205192563
Energy: 1.8415664496693613
Energy: 1.7081423711846255
Energy: 1.7516189178316424
Energy: 2.005651175833728
Energy: 1.9282278072592611
Energy: 1.910564123931186
Energy: 1.7376834363329028
Energy: 1.7697986740681095
Energy: 1.7538129226400825
Energy: 1.9321067602308652
Energy: 1.8517257459146428
Energy: 1.7567356382127461
Energy: 1.9413378470762888
Energy: 1.7548758539966587
Energy: 1.728329841820912
Energy: 1.7560335373325024
Energy: 1.7259840932463733
Energy: 1.7747012151380956
Energy: 1.7514461989686874
Energy: 1.9343915458732677
Energy: 2.100510347918316
Energy: 1.9570441644792596
Energy: 1.9782134405011889
Energy: 1.7610825740215894
Energy: 1.7069219758580272
Energy: 1.6857317259975104
Energy: 1.7426912310586666
Energy: 1.7623089448836167
Energy: 1.7253923250551784
Energy: 2.0099982774060674
Energy: 2.0341690902467224
Energy: 1.848967813888727
Energy: 1.849308198350831
Energy: 1.7425665564100365
Energy: 1.7444506435092042
Energy: 1.7176527156126213
Energy: 1.7233386248694895
Energy: 1.7571843815607333
Energy: 1.744718596596855
Energy: 1.7528443053020575
Energy: 1.7398904455121502
Energy: 1.8896478481958656
Energy: 1.7474772010805777
Energy: 1.991313273688969
Energy: 1.9977210854772482
Energy: 1.744694840557766
Energy: 1.7280370140179298
Energy: 1.708505787146827
Energy: 1.721420213809146
Energy: 1.7260527500163922
Energy: 1.8738091585942493
Energy: 1.8217584035948302
Energy: 2.1222279538855267
Energy: 1.8376704428801742
Energy: 1.8364673577296509
Energy: 1.7409558288091325
Energy: 1.756711881376514
Energy: 1.7622955705237746
Energy: 1.732900994798523
Energy: 1.7807065891620275
Energy: 1.8425290081751604
Energy: 2.001755668916877
Energy: 1.9080481863405918
Energy: 1.7520804960488034
Energy: 1.7742158994347197
Energy: 1.7757562433153693
Energy: 1.7868127965500644
Energy: 1.750491391724565
Energy: 1.8158681262829814
Energy: 1.9800062000442757
Energy: 1.967603276823117
Energy: 1.8860333128935964
Energy: 1.896854747819211
Energy: 1.7595365809211132
Energy: 1.7705492849313755
Energy: 1.8247324982066784
Energy: 1.7575732738780672
Energy: 1.8485706792680308
Energy: 1.7377826114663453
Energy: 1.8417735936905413
Energy: 1.7824898716866402
Energy: 1.7500714313702694
Energy: 1.852558161774333
Energy: 1.8002486456240832
Energy: 1.9006448236319042
Energy: 1.8827679268009152
Energy: 1.844455004566514
Energy: 1.7683446802326712
Energy: 1.7548910801361113
Energy: 1.8600075361620252
Energy: 1.8931596133713022
Energy: 1.9692097422831982
Energy: 1.9132439975323206
Energy: 1.7300728142654413
Energy: 1.7845452076473272
Energy: 1.8405698064133105
Energy: 1.7484563236481045
Energy: 1.8500555373536083
Energy: 1.8629320916066423
Energy: 1.8744458769499215
Energy: 1.8990222099412188
Energy: 1.753422169791699
Energy: 1.793190195066851
Energy: 1.7708124745944487
Energy: 1.7362737550485947
Energy: 1.8853077899999384
Energy: 1.8189139009211364
Energy: 1.7506486201733864
Energy: 1.7526534420830449
Energy: 1.8398625776929862
Energy: 1.7372451175355386
Energy: 1.9987810616041028
Energy: 1.828485805236475
Energy: 1.90847010833287
Energy: 1.9105043455793385
Energy: 1.7682654934512467
Energy: 1.7475961256080852
Energy: 1.7606086996913328
Energy: 1.7704993269837588
Energy: 1.8239399690091869
Energy: 1.8556889464501731
Energy: 1.885155896952227
Energy: 1.8956906671904885
Energy: 1.8636753274906481
Energy: 1.8486066159466081
Energy: 1.7965337355772824
Energy: 1.6893077101985057
Energy: 1.7099029187156358
Energy: 1.7316849509253878
Energy: 1.7433173655920482
Energy: 1.9772106423198808
Energy: 1.9768227028456684
Energy: 1.8256698502464215
Energy: 1.7540594566504824
Energy: 1.7405493375799375
Energy: 1.759254424855665
Energy: 1.7497983567636013
Energy: 1.7265525452899793
Energy: 1.731730822148757
Energy: 1.9998561218533226
Energy: 1.7446707492946512
Energy: 1.7436225099551135
Energy: 1.8027903937637326

minimum gb energy = 1.6801179076765642 eV
minimum distance =  2.27492651246296 Angstroms
sigma value = 437


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

Energy: 2.052507815428366
Energy: 1.7981723520517248
Energy: 1.759946882304561
Energy: 1.83938075161187
Energy: 1.9459148904596657
Energy: 1.8819087375985675
Energy: 1.845554874315124
Energy: 1.8145567879182942
Energy: 1.808095034481456
Energy: 1.8725612343080762
Energy: 1.9635309777755623
Energy: 1.7141268951022437
Energy: 1.9215434720290796
Energy: 1.9342722906484706
Energy: 1.7741458342388148
Energy: 1.707445059617866
Energy: 1.7758185340740693
Energy: 1.7833611906267481
Energy: 1.9305823377470825
Energy: 1.7990773182520523
Energy: 2.051145345464977
Energy: 1.8845469056272
Energy: 1.9688256418741703
Energy: 1.8666462030725157
Energy: 1.8057139457261997
Energy: 1.7954407471100642
Energy: 1.7988969797636232
Energy: 1.7935392471797964
Energy: 1.6956997002597147
Energy: 1.8023412281089208
Energy: 1.8983562002961114
Energy: 1.8834109793847675
Energy: 1.9677489172375764
Energy: 1.8222354873222892
Energy: 1.7974180560506385
Energy: 1.7553340802110053
Energy: 1.8868896393407493
Energy: 1.8211663288164692
Energy: 1.9101338655220395
Energy: 1.9296715245384677
Energy: 1.789409566622157
Energy: 1.959754686632856
Energy: 1.7621444378911209
Energy: 1.865291609666456
Energy: 1.8295585199119113
Energy: 1.9203513166100064
Energy: 1.8932191398104434
Energy: 1.8947873200956313
Energy: 1.6649251715342097
Energy: 1.7962193021269772
Energy: 1.7327673885652597
Energy: 2.0384779521247363
Energy: 1.6766952265551545
Energy: 2.0787299467843474
Energy: 1.89392438289501
Energy: 1.7605455919028972
Energy: 1.7716975912425468
Energy: 1.9042135574773915
Energy: 1.704004856071882
Energy: 1.704352577432174
Energy: 1.8085591360779725
Energy: 1.9462733464401045
Energy: 1.8004669344296051
Energy: 1.8697037559811691
Energy: 2.025601241502761
Energy: 1.8983226599287435
Energy: 1.7736491440186493
Energy: 1.7530532801029783
Energy: 1.7720343053295076
Energy: 1.7132897971871803
Energy: 1.7392197650886758
Energy: 1.6357205285155048
Energy: 1.6323480300837374
Energy: 1.8154527326799754
Energy: 1.740892427828786
Energy: 1.7184802288333862
Energy: 1.8844156663245168
Energy: 1.8291386890032477
Energy: 1.8353749497102307
Energy: 1.949726574803157
Energy: 1.9550890372121421
Energy: 1.711794344854806
Energy: 1.7096407863729988
Energy: 1.9711103872182616
Energy: 1.785802867217674
Energy: 1.7569213990703103
Energy: 1.8186986769596019
Energy: 1.8908874575290218
Energy: 1.9349446971138278
Energy: 2.0535861496041323
Energy: 1.9218482562380617
Energy: 1.6827131725306483
Energy: 1.809411248083624
Energy: 1.8334938637006786
Energy: 1.7639352558070729
Energy: 1.7642611041513325
Energy: 1.7749527005152184
Energy: 1.8427906638700886
Energy: 1.7678339552791051
Energy: 1.8134748955147864
Energy: 1.8053569133479648
Energy: 1.7523145145070724
Energy: 1.9576221721540765
Energy: 1.801386592799239
Energy: 1.7996422834363706
Energy: 1.7432358078710046
Energy: 1.9085727926325282
Energy: 1.9526963527133565
Energy: 1.831489152936419
Energy: 1.8941153271467757
Energy: 1.8597568867018042
Energy: 1.9549863922866382
Energy: 1.7846540441512098
Energy: 1.8732260339249895
Energy: 1.8972206390420876
Energy: 1.748399474641064
Energy: 1.7933431451950441
Energy: 1.9214898831866132
Energy: 1.673931172493869
Energy: 1.8982670346477775
Energy: 1.8640413534943836
Energy: 1.8135605696625432
Energy: 1.8005181232492062
Energy: 2.0002281732219074
Energy: 1.8715320066271761
Energy: 1.7582046894387757
Energy: 1.7924380807631473
Energy: 1.911843755714616
Energy: 1.7107125332492308
Energy: 1.8816482937326389
Energy: 1.8239979718875647
Energy: 1.7635404975286129
Energy: 1.783341024910278
Energy: 1.839335876810052
Energy: 1.9152881422412082
Energy: 1.9715100133076966
Energy: 1.9231400340966618
Energy: 1.8090628463668235
Energy: 1.7241075780873736
Energy: 1.8442950194464645

minimum gb energy = 1.6323480300837374 eV
minimum distance =  2.22490305827456 Angstroms
sigma value = 33