Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ni__MO_758825945924_004
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=3.52732940018177
cohesive_energy=4.194297203762934
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9900956406240796e-19, 2.7580509448329597e-19, 3.34467189760572e-19, 3.8233862540785794e-19, 4.2264778734266397e-19, 4.57299663582816e-19, 4.877330087456459e-19, 5.144044431718439e-19, 5.3788273956648e-19, 5.58610098680538e-19, 5.76916568900622e-19, 5.93048885428368e-19, 6.07218535579464e-19, 6.19606565313552e-19, 6.30483742481778e-19, 6.3988531497009e-19, 6.47894595963456e-19, 6.54604511706648e-19, 6.600983753846339e-19, 6.64457898005748e-19, 6.67806447170808e-19, 6.70137614173278e-19, 6.715026686654459e-19, 6.71948073769698e-19, 6.71467420779498e-19, 6.699133094445179e-19, 6.6713833951443e-19, 6.62889367081062e-19, 6.56865182937222e-19, 6.487277278131359e-19, 6.38070048843768e-19, 6.24449945278134e-19, 6.07255385642046e-19, 5.85706109914746e-19, 5.58874457825148e-19, 5.25860006104944e-19, 4.850926216528139e-19, 4.34644885978056e-19, 3.7214878201561796e-19, 2.9451050668524597e-19, 1.9781754464671198e-19, 7.67005213464918e-20, -7.62922867401486e-20, -2.71322204261364e-19, -5.22400906752138e-19, -8.503568506721339e-19, -1.285544874529116e-18, -1.87523559773262e-18, -2.69457270659388e-18, -3.87000959412798e-18, -5.6260432502909996e-18, -8.3936431678626e-18, -1.3095887392755539e-17, -2.2005735850326596e-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: 0.019221612440376807
Energy: 0.19475462982639777
Energy: 0.1981002940277956
Energy: 0.19698112377963456
Energy: 0.02541785015133378
Energy: 0.021551321568971243
Energy: 0.19753630687907542
Energy: 0.1993405622129774
Energy: 0.19593286092350912
Energy: 0.02664703018222004
Energy: 0.194355255649318
Energy: 0.20458942389901455
Energy: 0.1979533266177561
Energy: 0.1991668131551168
Energy: 0.19823177637091266
Energy: 0.19485757841064788
Energy: 0.203817964973589
Energy: 0.19759701591030548
Energy: 0.20015212437484747
Energy: 0.1972443429557614
Energy: 0.1983068574889061
Energy: 0.025697304525983018
Energy: 0.019915971025065208
Energy: 0.19525503760944438
Energy: 0.1968922011802276
Energy: 0.20357452688949093
Energy: 0.024210513877545917
Energy: 0.01983258232967672
Energy: 0.19443993376992824
Energy: 0.19854618977112704
Energy: 0.19736362885380848
Energy: 0.021770946145008418
Energy: 0.021515672743383882
Energy: 0.20218133509646713
Energy: 0.1943820898359416
Energy: 0.19802792964339178
Energy: 0.02260968979740042
Energy: 0.02007091074915487
Energy: 0.1968638223971362
Energy: 0.19403166676637282
Energy: 0.19639911378707953
Energy: 0.19565443665515894
Energy: 0.19985586742667957
Energy: 0.022457623922489484
Energy: 0.020311879428066126
Energy: 0.19545742663588062
Energy: 0.1968002864526019
Energy: 0.19881870994639309
Energy: 0.024278800233378434
Energy: 0.20061853966705104
Energy: 0.19902737742225507
Energy: 0.19499153697289842
Energy: 0.19597181811318204
Energy: 0.020918206735034313
Energy: 0.02021261337763538
Energy: 0.20046236531022518
Energy: 0.19440973538117062
Energy: 0.1970741739719388
Energy: 0.021786231298930887
Energy: 0.020368520129605265
Energy: 0.020346611699087858
Energy: 0.2001330443889021
Energy: 0.1970315788973398
Energy: 0.199519010252698
Energy: 0.20192762385584237
Energy: 0.020564861897029014
Energy: 0.20151104829913444
Energy: 0.1959586632980351
Energy: 0.20095220742070855
Energy: 0.20020285320267348

minimum gb energy = 0.019221612440376807 eV
minimum distance =  2.45704945426384 Angstroms
sigma value = 3


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

Energy: 1.7098880665665128
Energy: 1.484113068497105
Energy: 1.6547364975778356
Energy: 1.4880206964620133
Energy: 1.593763772069918
Energy: 1.5852902228936432
Energy: 1.4851537211831336
Energy: 1.491439646405878
Energy: 1.4895749205331061
Energy: 1.6817829949346366
Energy: 1.687511847771274
Energy: 1.7969444179224734
Energy: 1.4925134726238394
Energy: 1.4876152736580828
Energy: 1.288504142978478
Energy: 1.2878493797758006
Energy: 1.4922212858057695
Energy: 1.6570898260698048
Energy: 1.3197326732329568
Energy: 1.2910793354736594
Energy: 1.2909697070616173
Energy: 1.694934399174683
Energy: 1.5007480762490384
Energy: 1.2836245463630052
Energy: 1.286916823888783
Energy: 1.2832818151439815
Energy: 1.695323987384441
Energy: 1.5025144812503985
Energy: 1.2836550268905311
Energy: 1.2887883565333063
Energy: 1.2909711912641295
Energy: 1.6594998160472654
Energy: 1.6865061242147168
Energy: 1.283299026711487
Energy: 1.2882225538139216
Energy: 1.283977438321643
Energy: 1.650757126373422
Energy: 1.5000424177824263
Energy: 1.452238775365867
Energy: 1.2881711604763029
Energy: 1.9671960633426973
Energy: 1.6924918862364828
Energy: 1.843006373237239
Energy: 1.7544364858981523
Energy: 1.56149623828193
Energy: 1.4915256245108646
Energy: 1.6896670972014844
Energy: 1.765329151693905
Energy: 1.5681952840858964
Energy: 1.5614949928496993
Energy: 1.6847727650621687
Energy: 1.691205187300774
Energy: 1.7650563118515008
Energy: 1.562303969074992
Energy: 1.772564028663618
Energy: 1.6852475156837616
Energy: 1.6920933367068818
Energy: 1.4940893769397352
Energy: 1.572648541358784
Energy: 1.7705764325216853
Energy: 1.8180497712849653
Energy: 1.6502914644753301
Energy: 1.7335565141538887
Energy: 1.5456751057493892
Energy: 1.6270873823684966
Energy: 1.8012147832872696
Energy: 1.6474520335740332
Energy: 1.5746697067252584
Energy: 1.5711809843290003
Energy: 1.821301593137693
Energy: 1.818998205296244
Energy: 1.8165105258386238
Energy: 1.5910246506702408
Energy: 1.5916989591668582
Energy: 1.8177929681471299
Energy: 1.8159288116098746
Energy: 1.8128129763387082
Energy: 1.5931511043922322
Energy: 1.5913662261184542
Energy: 1.8173768742393477
Energy: 1.818626960340682
Energy: 1.455314210745949
Energy: 1.5500458502186432
Energy: 1.7321743685253146
Energy: 1.652125042771888
Energy: 1.8191654118151754
Energy: 1.2924126000854472
Energy: 1.2174216324402143
Energy: 1.65921311586191
Energy: 1.6463050008872306
Energy: 1.696983815800397
Energy: 1.5630738221709646
Energy: 1.561016843600403
Energy: 1.5631433406233273
Energy: 1.5033861797849553
Energy: 1.5645755103002343
Energy: 1.5377299612192652
Energy: 1.561134045579381
Energy: 1.2853433771415002
Energy: 1.5046780707175564
Energy: 1.4369652044281205
Energy: 1.5632298016885506
Energy: 1.5367904200256013
Energy: 1.538378626563279
Energy: 1.501752025211001
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Energy: 1.564629450217542
Energy: 1.4487367588174216
Energy: 1.503320864064357
Energy: 1.4916152591504543
Energy: 1.287438717205748
Energy: 1.4908363269550402
Energy: 1.474449307227345
Energy: 1.6464741498525
Energy: 1.4919751449097074
Energy: 1.546461331977599
Energy: 1.6215385366996256
Energy: 1.4895634463344514
Energy: 1.6479806356521287
Energy: 1.4920386752645212
Energy: 1.4799804186527534
Energy: 1.4915722805696394
Energy: 1.6883890877614245
Energy: 1.684594941845944
Energy: 1.4924613042978971
Energy: 1.2865415261186843
Energy: 1.4918383239633135
Energy: 1.6958034780849842
Energy: 1.6847262777246295
Energy: 1.2868026783368645
Energy: 1.2883767954561656
Energy: 1.4894014305614893
Energy: 1.492349298127881
Energy: 1.6252995389703586
Energy: 1.2897223145966428
Energy: 1.2879138516952124
Energy: 1.6563863747676033
Energy: 1.4878304145215833
Energy: 1.4808024202874346
Energy: 1.5854676534572043
Energy: 1.4848509363063866
Energy: 1.4880154058096322
Energy: 1.4900671804674825
Energy: 1.6817422520771406
Energy: 1.6789682226623532
Energy: 1.483805272279114
Energy: 1.6556557282694246
Energy: 1.4880736300219877
Energy: 1.5910565166610797
Energy: 1.2161376440806606
Energy: 1.4928295100114435
Energy: 1.6553910301734844
Energy: 1.657542770775499
Energy: 1.289608598148605
Energy: 1.4212790324077644
Energy: 1.6536563043458767
Energy: 1.6616449360218888
Energy: 1.4880298944186716
Energy: 1.2896646193424464
Energy: 1.2904972002783166
Energy: 1.5012175078730134
Energy: 1.5011768420906249
Energy: 1.2838949351384175
Energy: 1.2894919222579664
Energy: 1.2906586019629476
Energy: 1.5007639557861663
Energy: 1.5017281146696533
Energy: 1.2836000982471414
Energy: 1.2877271795553786
Energy: 1.292041586223827
Energy: 1.5048870337089015
Energy: 1.5008147434303636
Energy: 1.453342895699432
Energy: 1.421353250508776
Energy: 1.2845869562288759
Energy: 1.497976864164302
Energy: 1.4998417896837604
Energy: 1.2829188735375563
Energy: 1.4223293138158961
Energy: 1.4774018716023172
Energy: 1.657568251455666
Energy: 1.495176646046849
Energy: 1.5624022552230152
Energy: 1.5622793758279319
Energy: 1.479927741765525
Energy: 1.6592552073775921
Energy: 1.7904495149818433
Energy: 1.5362242095211727
Energy: 1.288189378267259
Energy: 1.6850891519474893
Energy: 1.6882936298385849
Energy: 1.494558831321852
Energy: 1.5371294467158294
Energy: 1.774876322389011
Energy: 1.6850901607767816
Energy: 1.6870545756951707
Energy: 1.849011667037839
Energy: 1.6152875473037265
Energy: 1.7637387243169975
Energy: 1.8022869736030958
Energy: 1.647708014406
Energy: 1.4959107424454914
Energy: 1.5668686087869101
Energy: 1.4784359580228184
Energy: 1.8030384063556328
Energy: 1.8031112660999513
Energy: 1.290879469437429
Energy: 1.5421571609376643
Energy: 1.4771554881704254
Energy: 1.817976306277272
Energy: 1.8127757234655053
Energy: 1.5910765183996798
Energy: 1.3231920905649333
Energy: 1.8180905941426324
Energy: 1.8164508601393927
Energy: 1.8109678607198296
Energy: 1.2199737060957834
Energy: 1.5920003267229368
Energy: 1.819248392189313
Energy: 1.81927824713469
Energy: 1.8193521293991448
Energy: 1.215837156140232
Energy: 1.6313059768861422
Energy: 1.6471215781169997
Energy: 1.8163184032987534
Energy: 1.4546513979786688
Energy: 1.2268110759882367
Energy: 1.5406131076392628
Energy: 1.8062281875204955
Energy: 1.5664036770017362
Energy: 1.536601286153677
Energy: 1.5359182516648227
Energy: 1.2886334139664353
Energy: 1.5019999754119961
Energy: 1.448324715739198
Energy: 1.5620855547269954
Energy: 1.5616986757666025
Energy: 1.5641541647123371
Energy: 1.503461070009277
Energy: 1.562781981545876
Energy: 1.561307982564781
Energy: 1.5643429334255308
Energy: 1.5643792017063096
Energy: 1.5017685450285545
Energy: 1.590830245645119
Energy: 1.566593508188732
Energy: 1.538912512394409
Energy: 1.5664609331042338
Energy: 1.5026484585387365
Energy: 1.4929341297995842
Energy: 1.5489093679941184
Energy: 1.572283772271178
Energy: 1.4886298471028796
Energy: 1.647485969128237
Energy: 1.2901808557294336
Energy: 1.2880041716132233
Energy: 1.54874887609111
Energy: 1.8166774907622174
Energy: 1.644953395344921
Energy: 1.491173322946388
Energy: 1.6225647706597268
Energy: 1.491106387380568
Energy: 1.6870435542795557
Energy: 1.685536603466918
Energy: 1.4921748894196567
Energy: 1.2867655080176763
Energy: 1.4921955555008943
Energy: 1.6893971472952658
Energy: 1.685735050126842
Energy: 1.6835703303542155
Energy: 1.2889568243685525
Energy: 1.6579496678715893
Energy: 1.4908340085029834
Energy: 1.4906794388751778
Energy: 1.2866520274849078
Energy: 1.2875178151667428
Energy: 1.661781889653878
Energy: 1.4924881963287198
Energy: 1.7391699118575625
Energy: 1.6824447049028906
Energy: 1.483874341959369
Energy: 1.656811655041466
Energy: 1.4872210146128932
Energy: 1.5938915374586315
Energy: 1.5845399543505747
Energy: 1.4857103811850598
Energy: 1.654676854078361
Energy: 1.487318918933875
Energy: 1.686872145038191

minimum gb energy = 1.215837156140232 eV
minimum distance =  2.1342076440061 Angstroms
sigma value = 75


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

Energy: 4.363272355743772
Energy: 1.8564427692506678
Energy: 1.9021773238256483
Energy: 1.856328588848731
Energy: 1.8132494560722083
Energy: 1.8389209564759006
Energy: 1.8680771295065863
Energy: 1.643225071171476
Energy: 1.879254245452728
Energy: 1.8819768848381766
Energy: 1.6948003293769252
Energy: 2.0373280162654366
Energy: 1.6434662379736058
Energy: 1.6388560964866121
Energy: 1.6969855843453283
Energy: 1.6676614312447453
Energy: 2.0423596006761415
Energy: 1.637432414841397
Energy: 1.6399186789279072
Energy: 1.7067976855894067
Energy: 1.7901963075835143
Energy: 2.0612793917375796
Energy: 1.9948131405633769
Energy: 1.7212859063895105
Energy: 1.5736402630550117
Energy: 1.6659751356143273
Energy: 2.061324783982617
Energy: 1.9949667532548794
Energy: 1.7842184417636653
Energy: 1.573974230156148
Energy: 1.7875140480170808
Energy: 1.6990168238181298
Energy: 1.817339573246304
Energy: 1.6668956627005087
Energy: 1.5733100350849867
Energy: 1.680865495616363
Energy: 1.5916881682629724
Energy: 1.667708901140541
Energy: 1.8232393340267727
Energy: 1.5737013474848798
Energy: 1.9862820688464362
Energy: 1.6314993974215457
Energy: 1.9589917550346634
Energy: 1.9532148685571478
Energy: 1.9321902091090033
Energy: 1.9804780619582982
Energy: 1.6399338461217543
Energy: 1.864817591918947
Energy: 1.919084076416552
Energy: 2.0454424193775247
Energy: 1.9225074735151901
Energy: 1.9594875423047753
Energy: 1.9824971182709832
Energy: 1.6977747265961753
Energy: 1.9232998678922855
Energy: 1.877242847591471
Energy: 1.8519453874718599
Energy: 1.9278623239296895
Energy: 1.7374763289915096
Energy: 1.9800720054605567
Energy: 1.7471924671488483
Energy: 1.7825783726763293
Energy: 1.9741521476552994
Energy: 1.6815499568729646
Energy: 1.6975669040424333
Energy: 1.6723624480780495
Energy: 1.8235343628397689
Energy: 2.0390166365110654
Energy: 1.6238773139589833
Energy: 1.7470658423908028
Energy: 1.573977030391135
Energy: 1.803472515640625
Energy: 2.059460855187488
Energy: 2.025660448186121
Energy: 1.8481048169837326
Energy: 1.6421168931270316
Energy: 1.7228625359425636
Energy: 2.0595661025525605
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Energy: 1.8090274110662767
Energy: 1.573935433759071
Energy: 1.7349893455839374
Energy: 1.6197528562665884
Energy: 1.8161070811837534
Energy: 1.7407416402746285
Energy: 1.5747314681212152
Energy: 1.7993439240193625
Energy: 1.6882230866688488
Energy: 1.7803393144552406
Energy: 1.752637332277468
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Energy: 1.92890491765616
Energy: 1.709933479924724
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Energy: 1.9092787252638996
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Energy: 2.025384769177011
Energy: 1.9575529708037063
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Energy: 1.9605885145147541
Energy: 1.9481910311311026
Energy: 1.9043477635619952
Energy: 1.7326565952718125
Energy: 1.9827068016919405
Energy: 1.8998060099293037
Energy: 1.9341065807449076
Energy: 2.036289475144043
Energy: 2.1148799217288556
Energy: 1.7329398412328987
Energy: 1.6742175087761728
Energy: 1.7478855372055617
Energy: 1.9287346318539782
Energy: 1.6817231657060199
Energy: 1.7738899415665803
Energy: 1.7864397451914324
Energy: 1.7213165205557794
Energy: 1.8827164433584458
Energy: 1.7502565366475265
Energy: 1.8075230577738084
Energy: 1.6877258052386022
Energy: 1.7032635404049137
Energy: 2.0119857280631988
Energy: 1.8485133100210351
Energy: 1.739236507992351
Energy: 1.7962416066217166
Energy: 1.7730393077266653
Energy: 1.9950522589704411
Energy: 1.8354254551196592
Energy: 1.7483657015989018
Energy: 1.748963026161496
Energy: 1.8206143683723883
Energy: 1.6881645641688738
Energy: 1.9249962679110926
Energy: 1.7460805646118462
Energy: 1.7683060611755241
Energy: 1.804731068604931
Energy: 1.694386645660808
Energy: 1.9529395619109717
Energy: 1.974709168828811
Energy: 1.9346222408450333
Energy: 1.904007290784906
Energy: 1.9339139898251785
Energy: 1.8785586481797711
Energy: 1.896989628450966
Energy: 1.9075693610708893
Energy: 1.9405747591680464
Energy: 1.9208839539425113
Energy: 1.8731398591856805
Energy: 1.8851502871470256
Energy: 1.9202337003767789
Energy: 1.66614646910147
Energy: 1.9440553077972489
Energy: 1.6586077338012988
Energy: 1.9137298517283492
Energy: 1.9125695531634954
Energy: 1.6953721713444456
Energy: 1.9055520141741311
Energy: 1.650512195775869
Energy: 1.6858267468287926
Energy: 1.8090354512300653
Energy: 1.6805788676406992
Energy: 1.8731253899331197
Energy: 1.567888231890873
Energy: 1.7403007984667316
Energy: 1.7259441946888916
Energy: 1.6594773803090364
Energy: 1.7117272310014258
Energy: 1.5673146919288383
Energy: 1.7665464194275993
Energy: 1.8689710435818156
Energy: 1.8076216459193295
Energy: 1.7358272387953004
Energy: 1.6508436229736678
Energy: 1.730425402566902
Energy: 1.8675637041838593
Energy: 1.807324568002096
Energy: 1.733621768055899
Energy: 1.6414575206875897
Energy: 1.943590022043552
Energy: 1.7279786059497775
Energy: 1.8002219257603087
Energy: 1.7493533199224442
Energy: 1.8026653058396473
Energy: 1.9446304745064873
Energy: 1.6961540756090583
Energy: 1.7737673429614458
Energy: 2.0550971797256588
Energy: 1.7451978958156016
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minimum gb energy = 1.5667415325202851 eV
minimum distance =  2.20350031490076 Angstroms
sigma value = 105


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

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Energy: 1.7340465658006092
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Energy: 1.7062260727293292
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Energy: 1.9576193003283584
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Energy: 1.9608047340187902
Energy: 1.9203400966990127
Energy: 1.9651691799993067
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Energy: 1.755246455590375
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Energy: 1.7521654734844587
Energy: 1.8627009821881289
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Energy: 1.7517041931161292
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Energy: 1.9384648079055469
Energy: 1.7515570092072508
Energy: 1.7516301136536334
Energy: 1.763314446273577
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Energy: 1.9320998344514164
Energy: 1.7452931342643718
Energy: 1.8820979497823704
Energy: 1.7379835955807121
Energy: 1.930030166660537
Energy: 1.937047278326448
Energy: 1.7207012946637954
Energy: 1.857339796860769
Energy: 1.7381211355544999
Energy: 1.9397235114300273
Energy: 1.7428948769537833
Energy: 1.942266665786284
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Energy: 1.9352464854005456
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Energy: 1.7085406164396555
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Energy: 1.7829967715914516
Energy: 1.7659065332648367
Energy: 1.7645949610237466
Energy: 1.7092956081306845
Energy: 1.7617561793287626
Energy: 1.782385111309735
Energy: 1.7592589542283958
Energy: 1.7610296677755584
Energy: 1.705450014641642
Energy: 1.7844130319510054
Energy: 1.9171736326673585
Energy: 1.7557624376278806
Energy: 1.756848417603996
Energy: 1.7569683931824298
Energy: 1.805866488408816
Energy: 1.8051900701142527
Energy: 1.7485089715182898
Energy: 1.7568140483078234
Energy: 1.7563060112985611
Energy: 1.8059470681158871
Energy: 1.763092384589062
Energy: 1.7723504762492832
Energy: 1.7030517753508714
Energy: 1.7603729926893297
Energy: 1.779354260560556
Energy: 1.773525861443424
Energy: 1.7625992726389705
Energy: 1.697140660707766
Energy: 1.7584354769410757
Energy: 1.8774543548659897
Energy: 1.7609010872621869
Energy: 1.7745726419531498
Energy: 1.7734353471001774
Energy: 1.7235027271976398
Energy: 1.799040327041197
Energy: 1.7258898618002176
Energy: 1.7168053179220253
Energy: 1.716220967977366
Energy: 1.7159743418619169
Energy: 1.797422674253151
Energy: 1.7365190945410005
Energy: 1.760411314574738
Energy: 1.7705333274916788
Energy: 1.7701580900474687
Energy: 1.6965086423489695
Energy: 1.723624014332614
Energy: 1.6794480601334276
Energy: 1.7612501895310695
Energy: 1.7607412303107584
Energy: 1.6974603690544678
Energy: 1.7838044819128445
Energy: 1.660397159422828
Energy: 1.7111468473868456
Energy: 1.8436820749673772
Energy: 1.77185914513214
Energy: 1.8145051091779476
Energy: 1.6628134817506113
Energy: 1.772639027257711
Energy: 1.8753824615173205
Energy: 1.7237911249864954
Energy: 1.8730301722975313
Energy: 1.8092427280768613
Energy: 1.8544520117059
Energy: 1.890431650397965
Energy: 1.847580664263262
Energy: 1.9631919315130861
Energy: 1.981691803895762
Energy: 1.8426342135244373
Energy: 1.8917168954276717
Energy: 1.871712432881771
Energy: 1.7693887949588398
Energy: 1.7646128043865612
Energy: 1.6432733253322143
Energy: 1.643959492340119
Energy: 1.8473426259612906
Energy: 1.6799387526602767
Energy: 1.7224712640003357
Energy: 1.6447174822552122
Energy: 1.6419766917827336
Energy: 1.8884159175022226
Energy: 1.7086729570405195
Energy: 1.64271811787906
Energy: 1.6433872771209652
Energy: 1.6413932260184367
Energy: 1.6413119337468947
Energy: 1.6329001585865002
Energy: 1.6418761396283692
Energy: 1.6433677741670478
Energy: 1.6420367798463167
Energy: 1.7302431812260721

minimum gb energy = 1.6329001585865002 eV
minimum distance =  2.17775100541449 Angstroms
sigma value = 165


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

Energy: 2.6348197842446854
Energy: 1.7018379138392443
Energy: 1.7039864050690166
Energy: 1.702195639451276
Energy: 1.694165178694601
Energy: 1.8259974229371352
Energy: 1.7036484683481439
Energy: 1.7019620153285646
Energy: 1.7962962603170252
Energy: 1.83745966183833
Energy: 1.7835875267759902
Energy: 1.7036524701944307
Energy: 1.694844625726936
Energy: 1.8278676872722026
Energy: 1.7051084397622294
Energy: 1.7046318641713405
Energy: 1.7048040698362321
Energy: 1.7075754922102064
Energy: 1.829357545777802
Energy: 1.7066651988126031
Energy: 1.7002110530628896
Energy: 1.858551075783153
Energy: 1.7772294951451346
Energy: 1.7126682841396044
Energy: 1.839319919577365
Energy: 1.6994581399461026
Energy: 1.8581499612823607
Energy: 1.7092404589641286
Energy: 1.7130836745184006
Energy: 1.8409067170171123
Energy: 1.8390420476884946
Energy: 1.8215442036678005
Energy: 1.6952368339752926
Energy: 1.7113543260168655
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Energy: 1.7987603171964683
Energy: 1.7033955372450942
Energy: 1.7120351828965743
Energy: 1.8383470587202528
Energy: 1.7839549112217754
Energy: 1.7791613852695949
Energy: 1.792722338297037
Energy: 1.8211612852538213
Energy: 1.7831784086893887
Energy: 1.7858371168891831
Energy: 1.7013186785958112
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Energy: 1.8226787375454443
Energy: 1.7019086091330262
Energy: 1.7806140989183414
Energy: 1.7754415165298243
Energy: 1.7850882814084643
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Energy: 1.685714064777584
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Energy: 1.6944184903259145
Energy: 1.7839864762768018
Energy: 1.7874456587188998
Energy: 1.7844070254348035
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Energy: 1.6962785443608726
Energy: 1.7838999330020289
Energy: 1.7874923536287108
Energy: 1.6929994143757747
Energy: 1.6795423250309687
Energy: 1.7835713450283694
Energy: 1.6998645439328173
Energy: 1.786326027236736
Energy: 1.7866147357349027
Energy: 1.6791602074892724
Energy: 1.7851627423234349
Energy: 1.7004948505168607
Energy: 1.7848678396705844
Energy: 1.6962904143870232
Energy: 1.8988639195631583
Energy: 1.7043465108092106
Energy: 1.7986447972777633
Energy: 1.7845019682814796
Energy: 1.7041022584332917
Energy: 1.8960044822394257
Energy: 1.7030780989500918
Energy: 1.793235786578047
Energy: 1.7849972412234205
Energy: 1.704833684743444
Energy: 1.8352249018784028
Energy: 1.702566166178978
Energy: 1.6990324691019991
Energy: 1.8524925864260646
Energy: 1.8391921098222483
Energy: 1.786626965703094
Energy: 1.7018320394263415
Energy: 1.6996468568160157
Energy: 1.8536526123763475
Energy: 1.6871720914011765
Energy: 1.716615911275048
Energy: 1.703626162985127
Energy: 1.6996223550271783
Energy: 1.7851636181578998
Energy: 1.6789365700700507
Energy: 1.7146457112841669
Energy: 1.7064312763997578
Energy: 1.6985522011845093
Energy: 1.7871625870218153
Energy: 1.849199141953946
Energy: 1.8441445757622599
Energy: 1.7755740034657599
Energy: 1.699907755363066
Energy: 1.7970077505160964
Energy: 1.702485614087467
Energy: 1.8427226034894497
Energy: 1.7755855537719807
Energy: 1.6971943403662284
Energy: 1.7977551114977819
Energy: 1.702489082236218
Energy: 1.7852273597510793
Energy: 1.7746060629125258
Energy: 1.6981155660079803
Energy: 1.6891017440103009
Energy: 1.7914232216357673
Energy: 1.787668621797629
Energy: 1.774518867344641
Energy: 1.7000613510888578
Energy: 1.6888081637401604
Energy: 1.7932564472088648
Energy: 1.6892870849437223
Energy: 1.786465609540556
Energy: 1.7813348670024254
Energy: 1.7018214383818782
Energy: 1.7052743861073376
Energy: 1.7697251786363128
Energy: 1.7836465460088222
Energy: 1.7032279707885019
Energy: 1.7020658326217397
Energy: 1.7871767647169348

minimum gb energy = 1.6789365700700507 eV
minimum distance =  2.24132898702244 Angstroms
sigma value = 41


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

Energy: 1.605054936642105
Energy: 1.464907764318715
Energy: 1.4773784512442605
Energy: 1.4651959029333639
Energy: 1.4237967145277892
Energy: 1.6068930814428095
Energy: 1.4641716806387466
Energy: 1.4800950758235838
Energy: 1.4794084572349904
Energy: 1.6647798069204212
Energy: 1.6880228945070228
Energy: 1.4663462425753617
Energy: 1.46367521528962
Energy: 1.547236730374582
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Energy: 1.5660260432980284
Energy: 1.6121374425278432
Energy: 1.5853148343632255
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Energy: 1.593470285006981
Energy: 1.5822841946450141
Energy: 1.670355996253437
Energy: 1.575290500481089
Energy: 1.6129045881533624
Energy: 1.5979645936746691
Energy: 1.5827878171574818
Energy: 1.650418897808749
Energy: 1.672375272317089
Energy: 1.5613371201808268
Energy: 1.591720974281067
Energy: 1.583775561883744
Energy: 1.6493190282440306
Energy: 1.6732015756581828
Energy: 1.4770442322121866
Energy: 1.5911986867465606
Energy: 1.5823051215339732
Energy: 1.6913529536843068
Energy: 1.6907924978817845
Energy: 1.4694161106774435
Energy: 1.6968819921369946
Energy: 1.6644667777130844
Energy: 1.6693229595626897
Energy: 1.6150976885131336
Energy: 1.591322967667568
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Energy: 1.6123289787687667
Energy: 1.5773672032736237
Energy: 1.607795742622224
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Energy: 1.4606456363445883
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Energy: 1.6842385750810127
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Energy: 1.614744878959592
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Energy: 1.5280039795696154
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Energy: 1.696671712186868
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Energy: 1.5097582464693304
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Energy: 1.5496403197755082
Energy: 1.6651142987008047
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Energy: 1.655176698032172
Energy: 1.6763979450615354
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Energy: 1.5087697014038841
Energy: 1.5288113147187132
Energy: 1.6518082746937641
Energy: 1.6054418623903342
Energy: 1.555502278106463
Energy: 1.5119983338674505
Energy: 1.5250687470491018
Energy: 1.649556937268364
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Energy: 1.6540850538003964
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Energy: 1.5121062222935324
Energy: 1.5380645859412032
Energy: 1.426653729957594
Energy: 1.6452168165777912
Energy: 1.5543789708851077
Energy: 1.5958835341470003
Energy: 1.6151380444574706
Energy: 1.7068294722084334
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Energy: 1.5209692122930583
Energy: 1.5996495631524785
Energy: 1.6870711139676826
Energy: 1.6961333671577943
Energy: 1.632669761421313
Energy: 1.535110080575812
Energy: 1.6237065752830837
Energy: 1.6712766056952293
Energy: 1.65201884786894
Energy: 1.645870395626983
Energy: 1.5515522301107518
Energy: 1.6272063207438974
Energy: 1.6719759214501173
Energy: 1.6525444490220567
Energy: 1.6375088747570656
Energy: 1.6499042945349445
Energy: 1.6392352344947752
Energy: 1.6688217518304562
Energy: 1.670421371980618
Energy: 1.683975150582475
Energy: 1.6489534964935755
Energy: 1.6241380465223856
Energy: 1.6646099660773894
Energy: 1.6748327090923072
Energy: 1.6290803326144603
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Energy: 1.6907692711654916
Energy: 1.7053638327653395
Energy: 1.68480678665075
Energy: 1.5414168683404263
Energy: 1.6854224261457353
Energy: 1.69090849242992
Energy: 1.5587941400010508
Energy: 1.6905865952948478
Energy: 1.4795179756732155
Energy: 1.6984495408552693
Energy: 1.6792450074826255
Energy: 1.6803673740803298
Energy: 1.691410519216567
Energy: 1.5787338319580206
Energy: 1.6822419815496026
Energy: 1.6689211558193717
Energy: 1.6811174116344283
Energy: 1.6905856549410578
Energy: 1.5884106804552303
Energy: 1.703289956700916
Energy: 1.563681065447032
Energy: 1.4615530110103294
Energy: 1.6739670804104207
Energy: 1.6861054559246256
Energy: 1.7016286052982887
Energy: 1.6188867972834788
Energy: 1.5699206994415007
Energy: 1.67568740231917
Energy: 1.6831957716712045
Energy: 1.563817966940466
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Energy: 1.5488769179520234
Energy: 1.5227174530190433
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Energy: 1.5572686890511944
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Energy: 1.5125033921148001
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Energy: 1.556692118025394
Energy: 1.6875935835301352
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Energy: 1.5131651453866437
Energy: 1.5116455416191954
Energy: 1.558973485742409
Energy: 1.6747529975194437
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Energy: 1.6741691012304836
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Energy: 1.5095707110847993
Energy: 1.6524853070447085
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Energy: 1.5112186624653043
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Energy: 1.5942235585336948
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Energy: 1.6319310523173014
Energy: 1.655824588507866
Energy: 1.6580500681312464
Energy: 1.4628200564689438
Energy: 1.6234583571662828
Energy: 1.509285129234834
Energy: 1.6575129470424554
Energy: 1.6201852827359189
Energy: 1.4621890909164748
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Energy: 1.6734529089766406
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Energy: 1.6698953170622215
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Energy: 1.6966050135563462
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Energy: 1.6722251588998966
Energy: 1.6891326063688354
Energy: 1.620001164484853
Energy: 1.6871123714796
Energy: 1.6713432771185412
Energy: 1.6523421229252537
Energy: 1.6826642692094673
Energy: 1.4700630895492734
Energy: 1.6811698147538454
Energy: 1.5511565851755373
Energy: 1.6639108653273746
Energy: 1.6889852388956728
Energy: 1.554253471426449
Energy: 1.6856042983709842
Energy: 1.6813356897952405
Energy: 1.7019430821807935
Energy: 1.493789127163071
Energy: 1.5578487705157509
Energy: 1.6659931772264054
Energy: 1.6156267849039248
Energy: 1.6749871973303017
Energy: 1.5904799452834084
Energy: 1.576904802528518
Energy: 1.6746107094919573
Energy: 1.6685434216092836
Energy: 1.4966797429117842
Energy: 1.476789180740768
Energy: 1.572449862474531
Energy: 1.677624520143051
Energy: 1.6685808378360074
Energy: 1.5905931900245254
Energy: 1.5209805194256858
Energy: 1.6010256116031947
Energy: 1.501007842540762
Energy: 1.687858175574677
Energy: 1.573007668149418
Energy: 1.4578988619082682
Energy: 1.5549615337088514
Energy: 1.5416918895131297
Energy: 1.6760697585867306
Energy: 1.5707923104064248
Energy: 1.4930752399746878
Energy: 1.5995280617754937
Energy: 1.6397828756570332
Energy: 1.4957525786099997
Energy: 1.4977779940580846
Energy: 1.4665748965120584
Energy: 1.493202337765315
Energy: 1.663928092674088
Energy: 1.5456675539420757
Energy: 1.5637834839823974
Energy: 1.5157173445085512
Energy: 1.5487156702715723
Energy: 1.6496872778564262
Energy: 1.4848789113188794
Energy: 1.4649149599466433
Energy: 1.4831386343753603
Energy: 1.5489213233704326
Energy: 1.6495883977360537
Energy: 1.4768929855729431
Energy: 1.4658903385465567
Energy: 1.4831435584111463
Energy: 1.697430118518823
Energy: 1.693896166490362
Energy: 1.4815585481492002
Energy: 1.4793561127858488
Energy: 1.4672027418017428
Energy: 1.6637115620477783
Energy: 1.6564565993984675
Energy: 1.476328149467115
Energy: 1.467046546061538
Energy: 1.4649536521953024
Energy: 1.6519165434147178
Energy: 1.4925914081043807
Energy: 1.4764031102311785
Energy: 1.4613611728671474
Energy: 1.4915619750696767
Energy: 1.5608266031769837
Energy: 1.4613731338754459
Energy: 1.4625857458455216
Energy: 1.4621947358483907
Energy: 1.4600894222416505

minimum gb energy = 1.4237967145277892 eV
minimum distance =  2.26775260108385 Angstroms
sigma value = 185


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

Energy: 0.8691415862458994
Energy: 0.9721512111166053
Energy: 0.9170773471502988
Energy: 0.9003578734001831
Energy: 0.7011414680469318
Energy: 0.7407025796193751
Energy: 0.9254405179418519
Energy: 0.9007607463764322
Energy: 0.9133372341678042
Energy: 0.79894644400725
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Energy: 0.926934881692196
Energy: 0.9097013421961078
Energy: 0.9371228171361594
Energy: 0.9341288237565609
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Energy: 0.9317498902623147
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Energy: 0.9054750700023683
Energy: 0.9457847863192852
Energy: 0.9279392577674312
Energy: 0.9349480462415797
Energy: 0.9239593235882901
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Energy: 0.9398663920389907
Energy: 0.9420259490136699
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Energy: 0.6946605704792195
Energy: 0.6986765502978064
Energy: 0.922663337565059
Energy: 0.9239980127470975
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Energy: 0.6948269498813853
Energy: 0.7387532830932113
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Energy: 0.9094725457786084
Energy: 0.9174701417469646
Energy: 0.6954467117507731
Energy: 0.9296772814688092
Energy: 0.9309833321621267
Energy: 0.9319642446776264
Energy: 0.9120600140365255
Energy: 0.9174847547622993
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Energy: 0.9522260686954477
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Energy: 0.9308870396556046
Energy: 0.9339290416044024
Energy: 0.9419449823398064
Energy: 0.6943653936307027
Energy: 0.6972080164062603
Energy: 0.9552978137550565
Energy: 0.935674480278601
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Energy: 0.9469115388360251
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Energy: 0.6926175987622837
Energy: 0.9598022021768305
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Energy: 0.9571614752078599
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Energy: 0.9217689432527997
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Energy: 0.9796758804699119
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Energy: 0.9436276374861096
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Energy: 0.9384779431291592
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Energy: 0.9495498054803249
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Energy: 0.696689246135137
Energy: 0.9175679601871086
Energy: 0.9382117036843917
Energy: 0.9610008663648298
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Energy: 0.9573771329206462
Energy: 0.939458289348034
Energy: 0.9187297373530577
Energy: 0.9633261334650667
Energy: 0.696934314929874
Energy: 0.9552061488499441
Energy: 0.9454828682808458
Energy: 0.9278356772220102
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Energy: 0.9584221346671496
Energy: 0.9258578069091283
Energy: 0.925360336648308
Energy: 0.6973936084703753
Energy: 0.697065670549271
Energy: 0.9555934853985655
Energy: 0.9235845754421216
Energy: 0.9356518758080563
Energy: 0.6964793104986965
Energy: 0.6983090671687778
Energy: 0.9494632950390295
Energy: 0.935109458077148
Energy: 0.9399757586781158
Energy: 0.6953941043796235
Energy: 0.7371953794125561
Energy: 0.9423858731703422
Energy: 0.9229560276911951
Energy: 0.9601943402143518
Energy: 0.9610289640374025
Energy: 0.9618827490834367
Energy: 0.933497191888766
Energy: 0.9243663619446878
Energy: 0.963255276244932
Energy: 0.963608734322203
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Energy: 0.9519881901217206
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Energy: 0.699960595741466
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Energy: 0.9503385473406574
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Energy: 0.9471048057446788
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Energy: 0.6943775449835103
Energy: 0.9725799258113854
Energy: 0.9537324545373772
Energy: 0.9386950028813668
Energy: 0.6958163853736343
Energy: 0.6948666634428693
Energy: 0.9601730492464092
Energy: 0.9462329264875805
Energy: 0.9401797498983905
Energy: 0.9675126945252622
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Energy: 0.9381986694983258
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Energy: 0.6963122581082131
Energy: 0.9530219093579766
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Energy: 0.9519131672353505
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Energy: 0.7415977189994665
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Energy: 0.9611714934868141
Energy: 0.6957211785184458
Energy: 0.9467460092096702
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Energy: 0.9542394868408407
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Energy: 0.9667627703550588
Energy: 0.9403005730510179
Energy: 0.9251462119403254
Energy: 0.9423242206691349
Energy: 0.6943087760152469
Energy: 0.96500716658656
Energy: 0.930359278816977
Energy: 0.9230497992950834
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Energy: 0.6955901117818637
Energy: 0.6976759337598166
Energy: 0.936893950291397
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Energy: 0.9509361471950696
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Energy: 0.7019630493294352
Energy: 0.9368309294604886
Energy: 0.9224279943721474
Energy: 0.6964223795310489
Energy: 0.7393450664431704
Energy: 0.9501944895258589
Energy: 0.9221550665218127
Energy: 0.9262827229101745
Energy: 0.9670122026458653
Energy: 0.9661960063847636
Energy: 0.9485053493129756
Energy: 0.9273266259448836
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Energy: 0.6940181663357214
Energy: 0.6979831749303811
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Energy: 0.6955318115089602
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Energy: 0.6949709027957541
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Energy: 0.9490052168084034
Energy: 0.6946656984668749
Energy: 0.6981218887722277
Energy: 0.9538050744332147
Energy: 0.9321820854024425
Energy: 0.9545209142503178
Energy: 0.9738686305089529
Energy: 0.9333984285868987
Energy: 0.9279778280435852
Energy: 0.9262980209813128
Energy: 0.9558150723199653
Energy: 0.9744575365799855
Energy: 0.9276801520822144
Energy: 0.9209784637107611
Energy: 0.9094143373405532
Energy: 0.6996148909381807
Energy: 0.6968902988245913
Energy: 0.947688868102823
Energy: 0.9244787689669256
Energy: 0.9352613392324239
Energy: 0.703831221983904
Energy: 0.6959580287215383
Energy: 0.9414536245629783
Energy: 0.9199309775416338
Energy: 0.9227918766863603
Energy: 0.9418862397728279
Energy: 0.6957066301572046
Energy: 0.909116321142857
Energy: 0.9367899862843297
Energy: 0.959540643223588
Energy: 0.9629234357359401
Energy: 0.9521939994651125
Energy: 0.9350747211258573
Energy: 0.9292365223594518
Energy: 0.927448702669773
Energy: 0.6966823345976999
Energy: 0.9182603554084079
Energy: 0.9291436709795889
Energy: 0.917636932916868
Energy: 0.9209707131807578
Energy: 0.695823809268342
Energy: 0.942909578765618
Energy: 0.9712438612203445
Energy: 0.8979501164290281
Energy: 0.6976985726457342
Energy: 0.6990944446922412
Energy: 0.9167706801716656
Energy: 0.9409288681759675
Energy: 0.9346464394526165
Energy: 0.6965306571424771
Energy: 0.7004758785884594
Energy: 0.9122984011461105
Energy: 0.9214205130098139
Energy: 0.9144999200099689
Energy: 0.9329943549864144
Energy: 0.9416498067984246
Energy: 0.9168491857113881
Energy: 0.9164008465393086
Energy: 0.9463571055993489
Energy: 0.9278052433593833
Energy: 0.9293433727016951
Energy: 0.9069579051269139
Energy: 0.9088925266286995
Energy: 0.9308058804719633
Energy: 0.7958438094576925
Energy: 0.936215213785736
Energy: 0.9198902600372236
Energy: 0.915330811372358
Energy: 0.9395338419795702
Energy: 0.6951667248932901
Energy: 0.9215729376948496
Energy: 0.9069842309266392
Energy: 0.9314770127907009
Energy: 0.8068577040530629

minimum gb energy = 0.6926175987622837 eV
minimum distance =  2.34146903195522 Angstroms
sigma value = 33


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

Energy: 1.4642787394303676
Energy: 1.450943167564596
Energy: 1.4454552401997354
Energy: 1.4460837172935634
Energy: 1.4288837229481706
Energy: 1.428518162261451
Energy: 1.4504543415374043
Energy: 1.4492966226237216
Energy: 1.448319276057775
Energy: 1.4296293338251422
Energy: 1.4384310229509105
Energy: 1.443396878794058
Energy: 1.4430137617617604
Energy: 1.4611686894014857
Energy: 1.4340314681467032
Energy: 1.461280479000069
Energy: 1.4438943053804723
Energy: 1.4464088144520415
Energy: 1.4609943524638247
Energy: 1.4469638001183664
Energy: 1.4368464909068137
Energy: 1.4443838991980593
Energy: 1.461602744709263
Energy: 1.4441397890050442
Energy: 1.4371127360403553
Energy: 1.436672072113049
Energy: 1.4566562475137994
Energy: 1.458888540608507
Energy: 1.4433252302847865
Energy: 1.4250551487249108
Energy: 1.4359142626528618
Energy: 1.4363640945099851
Energy: 1.4430674280566895
Energy: 1.4490667670394854
Energy: 1.440067955899853
Energy: 1.4241074379707397
Energy: 1.4346032803577873
Energy: 1.442358686739828
Energy: 1.4493925721162435
Energy: 1.454070183709807
Energy: 1.450680277885517
Energy: 1.448861207802661
Energy: 1.431919454913233
Energy: 1.4330808629369463
Energy: 1.4317056912041846
Energy: 1.4493551647408525
Energy: 1.4442012784578162
Energy: 1.4331039147657072
Energy: 1.4291953681165153
Energy: 1.4418463594149675
Energy: 1.4392059920028228
Energy: 1.448171006232977
Energy: 1.4269237823303538
Energy: 1.4231112064488158
Energy: 1.424694905614685
Energy: 1.438071956468482
Energy: 1.448542172787844
Energy: 1.4531965763886312
Energy: 1.4232929170487574
Energy: 1.4245001141981093
Energy: 1.443540585411201
Energy: 1.4452937675373962
Energy: 1.4383550258360849
Energy: 1.4299731314932054
Energy: 1.452187203436502
Energy: 1.437105854449263
Energy: 1.4445403713835678
Energy: 1.437689498903276
Energy: 1.4368794990832228
Energy: 1.4464664761340658
Energy: 1.4384290641179223
Energy: 1.4381717273321084
Energy: 1.425646824024318
Energy: 1.4368679463253253
Energy: 1.4425721312268758
Energy: 1.4383439733693013
Energy: 1.4400729931850156
Energy: 1.4261019596582676
Energy: 1.4371087191596559
Energy: 1.4419281906042087
Energy: 1.4506519055080724
Energy: 1.4265682817465637
Energy: 1.4330851549650498
Energy: 1.4300868577862231
Energy: 1.4273043690661162
Energy: 1.440201302156112
Energy: 1.4269181457621567
Energy: 1.4343901127267011
Energy: 1.4201627516565984
Energy: 1.4274158224942088
Energy: 1.4416317624584976
Energy: 1.4277685336908885
Energy: 1.440082431685621
Energy: 1.443012758802633
Energy: 1.4280350479648725
Energy: 1.4362539302882973
Energy: 1.4357241678641284
Energy: 1.4306994096373726
Energy: 1.4439642815949745
Energy: 1.4284243266772858
Energy: 1.4367046271990498
Energy: 1.427820762621729
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Energy: 1.4188127690406866
Energy: 1.4320845361477978
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Energy: 1.4387093742245292
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Energy: 1.4402968660376252
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Energy: 1.429159199650503
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Energy: 1.4352776268598832
Energy: 1.4371883142619337
Energy: 1.441524943872736
Energy: 1.4271913386842394
Energy: 1.4276738302377963
Energy: 1.4181749696246828
Energy: 1.4430505494177879
Energy: 1.4492992050392455
Energy: 1.437750500245927
Energy: 1.4277129405331785
Energy: 1.4273806489459049
Energy: 1.4444330293883392
Energy: 1.4490275357263542
Energy: 1.438521725198501
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Energy: 1.4275457295664717
Energy: 1.4336525674109064
Energy: 1.443158113357567
Energy: 1.4496303716593437
Energy: 1.4403639380959006
Energy: 1.4307643217561343
Energy: 1.4326732871274326
Energy: 1.4462883630242456
Energy: 1.449715337571404
Energy: 1.4198057912197113
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Energy: 1.4329846082573645
Energy: 1.4512648893965896
Energy: 1.4503850817473967
Energy: 1.4421690091934232
Energy: 1.4449353122765496
Energy: 1.4336055097279785

minimum gb energy = 1.4169931927340322 eV
minimum distance =  2.29011202768208 Angstroms
sigma value = 219


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

Energy: 1.9395697205966076
Energy: 1.971277793208883
Energy: 1.9872921262976952
Energy: 1.9693433689877415
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Energy: 2.0055348519241876
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Energy: 1.9571090839808674
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Energy: 1.9904632129678714
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Energy: 1.9600051743654923
Energy: 1.9739985033125793
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Energy: 1.9759672647062136
Energy: 1.9740058603399708
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Energy: 1.9458104195141896
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Energy: 1.9966606997809757
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Energy: 1.9787019501056167
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Energy: 2.0004586221639085
Energy: 2.006783701660494
Energy: 1.9419979295716756
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Energy: 2.035082676222646
Energy: 1.9647562878686105
Energy: 1.94406819304821
Energy: 1.9549629449236081
Energy: 2.0068391546494992
Energy: 1.9833339636790748
Energy: 1.9674337327831124
Energy: 2.00668367563695
Energy: 1.9482343056102467
Energy: 1.960120846919754
Energy: 1.9721936134758578
Energy: 1.9797081173891038
Energy: 1.998116677384941
Energy: 1.943775285672697
Energy: 1.9579643556532322
Energy: 1.9765483832849822
Energy: 1.981665556305172
Energy: 1.9915144735898784
Energy: 1.9867566435671444
Energy: 1.9590280529771642
Energy: 1.95870461689737
Energy: 1.9765673522960634
Energy: 1.985996827850044
Energy: 1.990115679733082
Energy: 1.959605460063127
Energy: 1.9630513681396713
Energy: 1.9755447157368546

minimum gb energy = 1.937300775234788 eV
minimum distance =  2.25755674508972 Angstroms
sigma value = 15


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

Energy: 2.202200771107796
Energy: 2.232280469805873
Energy: 2.3015241363187102
Energy: 2.2218070031458517
Energy: 2.249286460581704
Energy: 2.187603490277046
Energy: 2.231082159259086
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Energy: 2.305491367427686
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Energy: 2.2168057120221585
Energy: 2.2161860732115337
Energy: 2.221963648493689
Energy: 2.2463726636458774
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Energy: 2.2189301984122434
Energy: 2.216516581778211
Energy: 2.225804336014836
Energy: 2.2232790583760123
Energy: 2.2184342860291686
Energy: 2.2195251634459403
Energy: 2.2210084692078174
Energy: 2.273131477660909
Energy: 2.239785542204723
Energy: 2.2188774195489116
Energy: 2.2192717405718465
Energy: 2.221944681102964
Energy: 2.2732439941630345
Energy: 2.23413466450619
Energy: 2.3018103571251958
Energy: 2.2350714866401287
Energy: 2.2420194968257623
Energy: 2.188706104204562
Energy: 2.218166971635235
Energy: 2.286413043409532
Energy: 2.2343570073313552
Energy: 2.2399307378247033
Energy: 2.2738740870659533
Energy: 2.2712441125083944
Energy: 2.187248403214173
Energy: 2.1837907733074355
Energy: 2.2202594363056694
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minimum gb energy = 2.1778882530581547 eV
minimum distance =  2.22969718881991 Angstroms
sigma value = 293


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

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Energy: 2.286100587794422
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Energy: 2.2876768735807542
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Energy: 2.331939638430794
Energy: 2.2415893572087024
Energy: 2.1749478561946964
Energy: 2.333926711762153
Energy: 2.183770962264883
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Energy: 2.2526824006544066
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Energy: 2.2867200835685395
Energy: 2.183492732774116
Energy: 2.1868125682056427
Energy: 2.251769175029131
Energy: 2.172736612772625
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Energy: 2.1849983819153476
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Energy: 2.186349822955065
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Energy: 2.2340718681706737
Energy: 2.2863368552919465
Energy: 2.2385165891726477
Energy: 2.1795084365319966
Energy: 2.184558308410259
Energy: 2.2339653585229176
Energy: 2.255668532434055
Energy: 2.2451095768129563
Energy: 2.1806349754982968
Energy: 2.1846048925897583
Energy: 2.184645182989309
Energy: 2.2888898368897306
Energy: 2.2989413374491425
Energy: 2.288446761016232
Energy: 2.296662715860376
Energy: 2.18108032985421
Energy: 2.2877459205366084
Energy: 2.29807399782108
Energy: 2.2656014266785363
Energy: 2.2958128618382148
Energy: 2.186265691491524
Energy: 2.288290671630947
Energy: 2.2437022528247703
Energy: 2.183082347140862
Energy: 2.296805997871903
Energy: 2.1844018318416842
Energy: 2.2912072131058
Energy: 2.3220789446717163
Energy: 2.183972332273868
Energy: 2.297477686649011
Energy: 2.1672519737674754
Energy: 2.234657987071806
Energy: 2.1836725886878385
Energy: 2.243892739504467
Energy: 2.2964902555575573
Energy: 2.166862932498951
Energy: 2.188052831987679
Energy: 2.1845148646745454
Energy: 2.244371580654039
Energy: 2.3732248516363437

minimum gb energy = 2.1654607687907346 eV
minimum distance =  2.24001024060451 Angstroms
sigma value = 293


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

Energy: 2.1871404630589653
Energy: 2.1918006788705147
Energy: 2.3231966868454816
Energy: 2.1918386111140427
Energy: 2.166876156213287
Energy: 2.186985501901168
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Energy: 2.3237305056947486
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Energy: 2.3352928150191326
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Energy: 2.1888205332409907
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Energy: 2.1904084662823937
Energy: 2.169577855569312
Energy: 2.1844538132326394
Energy: 2.1922548230347756
Energy: 2.1894097202501364
Energy: 2.1885655839513016
Energy: 2.1693221600436514
Energy: 2.1813601470972177
Energy: 2.189896699003879
Energy: 2.187941470471025
Energy: 2.1888604736768986
Energy: 2.32470564174291
Energy: 2.1886146063046197
Energy: 2.190674893814145
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Energy: 2.1899517225644898
Energy: 2.323461641806432
Energy: 2.1898931340380123
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Energy: 2.3243914025194337
Energy: 2.1743381489977165
Energy: 2.187692874243537
Energy: 2.18818206599666
Energy: 2.1906951202570433
Energy: 2.3242325877406276
Energy: 2.1743803004716455
Energy: 2.1867785774271615
Energy: 2.18779601214355
Energy: 2.189558645337696
Energy: 2.188430951682132
Energy: 2.340104672183029
Energy: 2.191052655538768
Energy: 2.185580972769167
Energy: 2.1682229605694223
Energy: 2.1890307619774005
Energy: 2.341824860100696
Energy: 2.1915060926146412
Energy: 2.187162046809723
Energy: 2.168814893364271
Energy: 2.1882977313932086
Energy: 2.1693314785871163
Energy: 2.1871263219164048
Energy: 2.171514004880558
Energy: 2.333127943076907
Energy: 2.1873309077417047
Energy: 2.1871145773069114
Energy: 2.186421071539514
Energy: 2.174250617548703
Energy: 2.1892237913144856
Energy: 2.192600261551635
Energy: 2.191358052171236
Energy: 2.342508045532426
Energy: 2.3243807127994875
Energy: 2.192317101601704
Energy: 2.1922925766720005
Energy: 2.1916653877538006
Energy: 2.345598238897021
Energy: 2.1893400705380452
Energy: 2.190618483889074
Energy: 2.1787950745369926
Energy: 2.1870959638076717
Energy: 2.1952435708092786
Energy: 2.3255176722423587
Energy: 2.332271914789523
Energy: 2.1753304026773144
Energy: 2.1871206983856872
Energy: 2.1743497326603913
Energy: 2.324465083407384
Energy: 2.3354675814320283

minimum gb energy = 2.1667791510166974 eV
minimum distance =  2.24372311559166 Angstroms
sigma value = 15


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

Energy: 2.101112371191716
Energy: 2.2546667562431453
Energy: 2.183024422642208
Energy: 2.299607100225029
Energy: 2.2314636671278643
Energy: 2.1077604183413303
Energy: 2.1939626607586065
Energy: 2.35271632810785
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Energy: 2.199689580648983
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Energy: 2.1093594111705265
Energy: 2.1291635870221954
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Energy: 2.1785996663183425
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Energy: 2.082211472085507
Energy: 2.081058894772131
Energy: 2.281456012629637
Energy: 2.0890216835095297
Energy: 2.203636570169959
Energy: 2.1750909634872313
Energy: 2.0849370026097156
Energy: 2.1395086375582197
Energy: 2.111718721033333
Energy: 2.102698198548096
Energy: 2.175480961807961
Energy: 2.083868636503863
Energy: 2.139358436855481
Energy: 2.211857537895699
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Energy: 2.097867852838907
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Energy: 2.084742935454269
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Energy: 2.16750192531419
Energy: 2.080731190452041
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Energy: 2.2481278378469565
Energy: 2.2987139368499103
Energy: 2.16908919398433
Energy: 2.11336405184951
Energy: 2.166763163808001
Energy: 2.1135661585262104
Energy: 2.1081470288556914
Energy: 2.1172829435770377
Energy: 2.288642607771388
Energy: 2.2100363182346867
Energy: 2.114052843031221
Energy: 2.1069261618500694
Energy: 2.1162400727646116
Energy: 2.320535918631347
Energy: 2.077408726392508
Energy: 2.1591661204135613
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Energy: 2.2254492971896296
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Energy: 2.0779164024344436
Energy: 2.180645521789158
Energy: 2.113276279751986
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Energy: 2.118324491125526
Energy: 2.0799367236918473
Energy: 2.383311774967343
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Energy: 2.3844830514238025
Energy: 2.0833641728523222
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Energy: 2.314326748243276
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Energy: 2.202054131547273
Energy: 2.109250586729304
Energy: 2.1133448759871216
Energy: 2.2956719893366753
Energy: 2.3473169170401493
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Energy: 2.1108089198064
Energy: 2.3506503236811223
Energy: 2.1395149088959697
Energy: 2.0779066507745885
Energy: 2.1111150115112935
Energy: 2.108515416040196
Energy: 2.352411650495994
Energy: 2.1365515998337323
Energy: 2.1142830610366863
Energy: 2.1083707669665457
Energy: 2.1125368045959942
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Energy: 2.109151479914031
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Energy: 2.1434289613865154
Energy: 2.421293515509632
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Energy: 2.108785290887399
Energy: 2.1148049313621473
Energy: 2.109277125094354
Energy: 2.255487694540269
Energy: 2.1131958906728867
Energy: 2.108867160887457
Energy: 2.1146202224970043
Energy: 2.108960814786456
Energy: 2.2567295066729582
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Energy: 2.278754361719273
Energy: 2.243613039953709
Energy: 2.161785712252402
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Energy: 2.242533600320691
Energy: 2.110585401085795
Energy: 2.2522566583612114
Energy: 2.233347166619653
Energy: 2.0873978947083685
Energy: 2.1946084822898606
Energy: 2.087804320966518
Energy: 2.0853590874547185
Energy: 2.2331237302961116
Energy: 2.088313025574501
Energy: 2.1595664558547574
Energy: 2.0861211152643717
Energy: 2.0873980291626184
Energy: 2.2622567602024946
Energy: 2.191985362805383
Energy: 2.1722226591172995
Energy: 2.0902662968837715
Energy: 2.127086505589852
Energy: 2.259005049249494
Energy: 2.1349424033796933
Energy: 2.168653791616457
Energy: 2.0891158805858523
Energy: 2.1255476812121032
Energy: 2.080098914463952
Energy: 2.319800935911241
Energy: 2.0894756553845317
Energy: 2.0900666854539773
Energy: 2.109764232455938
Energy: 2.095232068774978
Energy: 2.321232772540964
Energy: 2.08984423282895
Energy: 2.0892624826032287
Energy: 2.191508148499492
Energy: 2.2740715459680714
Energy: 2.1529592521258825
Energy: 2.1160876806133513
Energy: 2.2226892121526345
Energy: 2.2377933232664744
Energy: 2.2723552648939562
Energy: 2.0898907080601514
Energy: 2.1153259978489105
Energy: 2.227473330725435
Energy: 2.1855077017362636
Energy: 2.1039707018511646
Energy: 2.216248723865808
Energy: 2.2509531288224522
Energy: 2.2102481227007162
Energy: 2.110943525319833
Energy: 2.1039916008404593
Energy: 2.213877952209763
Energy: 2.246448278045519
Energy: 2.2137845571310586
Energy: 2.114865309659571
Energy: 2.109171878132787
Energy: 2.110023515788179
Energy: 2.0892862612960883
Energy: 2.1804997294433925
Energy: 2.1093450390747006
Energy: 2.1481882511728387
Energy: 2.090301823831557
Energy: 2.087220504544058
Energy: 2.141645067519048
Energy: 2.1092353592679127
Energy: 2.4889384113753277
Energy: 2.348203399880038
Energy: 2.0892450327194867
Energy: 2.3494547902526444
Energy: 2.1263396315330176
Energy: 2.469214201674008
Energy: 2.347656080185759
Energy: 2.0895535938971688
Energy: 2.348997670522278
Energy: 2.0820070024129635
Energy: 2.0814034592517503
Energy: 2.321294118321541
Energy: 2.3567461361557327
Energy: 2.1751877436918634
Energy: 2.1770732454623376
Energy: 2.081557750974239
Energy: 2.363612639403878
Energy: 2.356417188284568
Energy: 2.172744380102231
Energy: 2.109186174165895
Energy: 2.356750425836489
Energy: 2.3567335746422047
Energy: 2.3508427659921907
Energy: 2.0999438035748765
Energy: 2.108759653036237
Energy: 2.350226017525333
Energy: 2.356481996662685
Energy: 2.349791533172461
Energy: 2.101590883720543
Energy: 2.110134819269414
Energy: 2.105515313791926
Energy: 2.167051946635858
Energy: 2.170196124324716
Energy: 2.10684403588023
Energy: 2.1120854266260656
Energy: 2.1071329662668923
Energy: 2.111058322391116
Energy: 2.1101996837483883
Energy: 2.104858127553163
Energy: 2.1115761932307895
Energy: 2.108994954776928
Energy: 2.112244255501883
Energy: 2.2319521534418834
Energy: 2.107777175992598
Energy: 2.1105373453832015
Energy: 2.2265038392285943
Energy: 2.1623436812966204
Energy: 2.205023915981177
Energy: 2.105289816164056
Energy: 2.1101063514419054
Energy: 2.2943854120385043
Energy: 2.1089895016387845
Energy: 2.0974444907849588
Energy: 2.271680740230038
Energy: 2.1834297872577237
Energy: 2.253791242781109
Energy: 2.1094251567152664
Energy: 2.111863161558828
Energy: 2.265783172078459
Energy: 2.2225578650254314
Energy: 2.1116876606472816
Energy: 2.111365176157007
Energy: 2.269884478878128
Energy: 2.089331090924979
Energy: 2.1219944573685847
Energy: 2.098932845418654
Energy: 2.098600568305969
Energy: 2.2993602578921464
Energy: 2.0885534169217945
Energy: 2.121901570749567
Energy: 2.111281234249806
Energy: 2.1134593936578074
Energy: 2.1117725166144106
Energy: 2.1056305326670977
Energy: 2.0960340239511877
Energy: 2.0963362441832794
Energy: 2.0993140134444563
Energy: 2.136860560029957
Energy: 2.103819998735212
Energy: 2.110969155074157
Energy: 2.1113209688661034
Energy: 2.096978093118702
Energy: 2.0837875047618706
Energy: 2.349296652111493
Energy: 2.2866028667271188
Energy: 2.0972514694939544
Energy: 2.2501427803818275
Energy: 2.0829372699526982
Energy: 2.2700444751118
Energy: 2.2612946700851686
Energy: 2.1787155127002293
Energy: 2.2229216414113475
Energy: 2.175521517658101
Energy: 2.1942321681127432
Energy: 2.0844812527874783
Energy: 2.2032790686815984
Energy: 2.2479521659127495
Energy: 2.107474779910686
Energy: 2.2041372282605707
Energy: 2.0884914142343765

minimum gb energy = 2.07654092450045 eV
minimum distance =  2.19756017547072 Angstroms
sigma value = 437


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

Energy: 2.1190202316906994
Energy: 2.0076310551216885
Energy: 1.9529656176342312
Energy: 2.1170717574686693
Energy: 1.8766426483166527
Energy: 2.08604779027121
Energy: 2.0062130527857005
Energy: 1.952405512373665
Energy: 2.1154944430896596
Energy: 2.089493328677835
Energy: 1.875378498890191
Energy: 2.1965115166512943
Energy: 1.871349667368526
Energy: 2.306640270017996
Energy: 1.8790574923430334
Energy: 1.8746202334365991
Energy: 2.1979481525962634
Energy: 1.8734851392079128
Energy: 2.1959125195919036
Energy: 1.879536079858858
Energy: 2.0950332028712855
Energy: 1.878496255468226
Energy: 1.983708715549785
Energy: 1.9509141904190308
Energy: 1.877181843104007
Energy: 2.095360606788356
Energy: 1.8785332925196945
Energy: 1.9857587701249688
Energy: 1.950108708255119
Energy: 1.8768325978184484
Energy: 1.9521671664244546
Energy: 1.9628279019155985
Energy: 2.186785648175858
Energy: 2.092266425074165
Energy: 1.8762103226290114
Energy: 1.9529175496152524
Energy: 1.948607846340692
Energy: 2.186468474407542
Energy: 2.0921375900023667
Energy: 1.9808546718673663
Energy: 2.0746591505189094
Energy: 2.0046676211076138
Energy: 1.8968875820046347
Energy: 1.948156113291522
Energy: 2.091451952817459
Energy: 2.0742863215746827
Energy: 2.0045363162725565
Energy: 1.8977995520654745
Energy: 1.9004435680236906
Energy: 2.089644394225898
Energy: 1.874071369253942
Energy: 1.9628261335044008
Energy: 1.9842146466161272
Energy: 1.9039841247598637
Energy: 2.084862991618823
Energy: 2.0075832443995654
Energy: 1.8838180220550298
Energy: 2.0887617174919937
Energy: 1.9053826704715173
Energy: 2.0862800583617633
Energy: 2.0984475836618257
Energy: 2.0915168483704574
Energy: 2.0962256526936662
Energy: 1.8771929345593394
Energy: 1.9800919410067128
Energy: 2.0967731199724415
Energy: 2.0926439037859765
Energy: 2.0948903877764793
Energy: 1.9526781138025258
Energy: 1.980452448615316
Energy: 2.114536790085277
Energy: 1.873994937455689
Energy: 1.8831633106785848
Energy: 1.9520681573119383
Energy: 2.200559468894476
Energy: 2.1229113343326187
Energy: 1.872678294815861
Energy: 1.8836021399725207
Energy: 1.9523648618650948
Energy: 2.1993975209581413
Energy: 1.95188574755407
Energy: 2.187763376240046
Energy: 2.0071799241754253
Energy: 1.873984283969883
Energy: 1.9507147446662336
Energy: 1.950554902923386
Energy: 2.1889640937602093
Energy: 2.006152063687313
Energy: 2.2335573052296747
Energy: 1.9482648175265114
Energy: 2.011597376543926
Energy: 2.09712848717821
Energy: 1.8741964396545976
Energy: 2.326966076087723
Energy: 2.0088418454482144
Energy: 1.8996668904065264
Energy: 1.8975936298818648
Energy: 1.8755909835886353
Energy: 2.3209501029997543
Energy: 2.0083232856568696
Energy: 1.8743303747533673
Energy: 1.8755310105523224
Energy: 2.007562643283673
Energy: 2.0860965219172174
Energy: 1.8764648453474646
Energy: 1.8742166141235042
Energy: 1.8754339567167548
Energy: 2.008363413258549
Energy: 2.087413392969751
Energy: 1.959823569772538
Energy: 1.8764479520278539
Energy: 1.8750868719638534
Energy: 1.872534827629709
Energy: 2.2298563007246983
Energy: 1.876014016960613
Energy: 1.8765194008138872
Energy: 1.874991881361708
Energy: 1.8722990615756185
Energy: 2.198385632133779
Energy: 1.8758205179476688
Energy: 1.874424377406975
Energy: 1.8804730053544985
Energy: 1.9504267032228644
Energy: 2.2008888740108765
Energy: 2.0091533283864162
Energy: 1.8742518844954354
Energy: 1.8834965492093967
Energy: 1.9823857699803882
Energy: 2.1973863062620196
Energy: 1.8764508711579275
Energy: 1.8760760156177616
Energy: 2.0100363135325208
Energy: 2.3690230392236424
Energy: 1.8740833466695277
Energy: 1.8781252315252508
Energy: 2.262780356138923
Energy: 2.009186405427428
Energy: 2.199422757364909
Energy: 1.874238855489755
Energy: 2.000045138897255

minimum gb energy = 1.871349667368526 eV
minimum distance =  2.25328233163251 Angstroms
sigma value = 33