Model name: model_name=Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000136196613
cohesive_energy=3.540278378030674
mass=63.546
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=[1.450064382191406e-19, 2.2218985560312e-19, 2.8001080814754597e-19, 3.2501434761997194e-19, 3.61112989360626e-19, 3.9086540945400596e-19, 4.1578886917250993e-19, 4.367950070208839e-19, 4.54813085446848e-19, 4.70746732071978e-19, 4.85161515248076e-19, 4.98281739703902e-19, 5.10166685974914e-19, 5.208371823573539e-19, 5.303140571474639e-19, 5.38624547348022e-19, 5.457974921384399e-19, 5.5185371981495995e-19, 5.5682367173362795e-19, 5.60747402310294e-19, 5.63672976843978e-19, 5.65669288929942e-19, 5.6680843651671595e-19, 5.67170528436e-19, 5.667908125737419e-19, 5.6557636268517e-19, 5.63387789403126e-19, 5.6004885329787e-19, 5.553384539939099e-19, 5.48984221463466e-19, 5.40624063787254e-19, 5.29801360624584e-19, 5.1592490879751e-19, 4.9826892229082995e-19, 4.75963419192282e-19, 4.47983006456106e-19, 4.13066771071344e-19, 3.69530825395662e-19, 3.14976711007962e-19, 2.4603985697684397e-19, 1.5817056231473818e-19, 4.535649898489619e-20, -1.002983401180242e-19, -2.89780881261678e-19, -5.394961314369179e-19, -8.7268157989029e-19, -1.321846992702288e-18, -1.9412773185861e-18, -2.8278257372436595e-18, -4.15178439874956e-18, -6.214458640893839e-18, -9.63174118355244e-18, -1.5870328604554318e-17, -2.8789511936346e-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: 0.015446974407469736
Energy: 0.1039487757430098
Energy: 0.10505571689203039
Energy: 0.10518920727563627
Energy: 0.019232958386425567
Energy: 0.016805386923941172
Energy: 0.10362346426299276
Energy: 0.10577788626132975
Energy: 0.10414511321763989
Energy: 0.018385675042401017
Energy: 0.10324816105839553
Energy: 0.1029258503065385
Energy: 0.10384808083317816
Energy: 0.10554364838041373
Energy: 0.10554786326221212
Energy: 0.10347661796708461
Energy: 0.10822627152018893
Energy: 0.10364380825452614
Energy: 0.10568581835117244
Energy: 0.10492894336840729
Energy: 0.1059322456425349
Energy: 0.01913827336079923
Energy: 0.0159526764748607
Energy: 0.10367746036787592
Energy: 0.10444937063110565
Energy: 0.10533137497934156
Energy: 0.018476399737458814
Energy: 0.015956592550530883
Energy: 0.10338486879500404
Energy: 0.10516140792566593
Energy: 0.10452166962489884
Energy: 0.016903007980845357
Energy: 0.016832240142019155
Energy: 0.10654712044109534
Energy: 0.10395089351328135
Energy: 0.10494917986313228
Energy: 0.01724041721026618
Energy: 0.01617701924092914
Energy: 0.10410098877156665
Energy: 0.10359736425505309
Energy: 0.10399136852986282
Energy: 0.10473276633779909
Energy: 0.10637322710230526
Energy: 0.01733961424485855
Energy: 0.016115554483379448
Energy: 0.10395462410533511
Energy: 0.10459364074613815
Energy: 0.10580823266507147
Energy: 0.01838124565684969
Energy: 0.10416293290481483
Energy: 0.10622485426632126
Energy: 0.1035976808561724
Energy: 0.10436804266357871
Energy: 0.01658450649413916
Energy: 0.01601097100091788
Energy: 0.10645228923663273
Energy: 0.10311672379151149
Energy: 0.10499667544101353
Energy: 0.017212946306454622
Energy: 0.016153040939057853
Energy: 0.016046622843092377
Energy: 0.10626776692545123
Energy: 0.10442548382266349
Energy: 0.10486067525956942
Energy: 0.10693937263037932
Energy: 0.01993633259423796
Energy: 0.10697159167516508
Energy: 0.10427630924634813
Energy: 0.10571947966690551
Energy: 0.10665783461033143

minimum gb energy = 0.015446974407469736 eV
minimum distance =  2.51957764867482 Angstroms
sigma value = 3


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

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Energy: 0.8159685112054693
Energy: 0.8553766897848276
Energy: 0.8176529166989976
Energy: 0.8165718831377996
Energy: 0.8842690924183232
Energy: 0.816658984988714
Energy: 0.8567529620192521
Energy: 0.857320951510444
Energy: 0.8462842817798728
Energy: 0.8441140443355337
Energy: 1.0161606313127163
Energy: 0.8611251589581586
Energy: 0.7406735907122335
Energy: 0.7182930280455593
Energy: 0.8039219675676608
Energy: 1.008675629620052
Energy: 0.8565157335540805
Energy: 0.7623805535399312
Energy: 0.8346116586312805
Energy: 0.7556846504418768
Energy: 0.9206755653622735
Energy: 0.7385409033972746
Energy: 0.7160778186509892
Energy: 0.7164024615533279
Energy: 0.715620276387234
Energy: 0.78030518229114
Energy: 0.7269818291650172
Energy: 0.715409945441727
Energy: 0.8247612594209996
Energy: 0.718554383148647
Energy: 0.9295592852111687
Energy: 0.8363873273959185
Energy: 0.7157171462346772
Energy: 0.7166535244872068
Energy: 0.7154168978873308
Energy: 0.8609481799831976
Energy: 0.7260183339162871
Energy: 0.7884587218736027
Energy: 0.8249655533412421
Energy: 0.9556989118677653
Energy: 0.8407979918906122
Energy: 0.9024771409279223
Energy: 0.7518152230738505
Energy: 0.7174522671500171
Energy: 0.863549946975179
Energy: 0.8400824307977697
Energy: 0.9059170493010101
Energy: 0.8649401407349955
Energy: 0.7550537938447248
Energy: 0.8861236222417928
Energy: 0.8398811512195908
Energy: 0.9084606593486202
Energy: 0.8244633678009993
Energy: 0.93733111517829
Energy: 0.8443233352396714
Energy: 0.8424974378474794
Energy: 0.9010787682061849
Energy: 0.7484900437105944
Energy: 0.8728138300986888
Energy: 0.8796730953990441
Energy: 0.9334844493908688
Energy: 0.9654985081652588
Energy: 0.7487348173821132
Energy: 0.8817597601499408
Energy: 0.8818826982363364
Energy: 0.914681964126375
Energy: 0.9061337075056457
Energy: 0.7486202466767223
Energy: 0.8733520877272372
Energy: 0.8803314610781866
Energy: 0.8728508503179359
Energy: 0.9392181627855763
Energy: 0.8703581229186583
Energy: 0.884683568445573
Energy: 0.8791116821691702
Energy: 0.8755309553301426
Energy: 0.9176628347393774
Energy: 0.871278002927666
Energy: 0.8694989951678546
Energy: 0.953358306639543
Energy: 0.7878604263556279
Energy: 0.7491150009212892
Energy: 0.9211842799080978
Energy: 0.8874088938532704
Energy: 0.9512810546286034
Energy: 0.7720798719915097
Energy: 0.7513298352791026
Energy: 0.9589468720762535
Energy: 0.8750553061520852
Energy: 0.9270085417504395
Energy: 0.7774340996850239
Energy: 0.824715893741421
Energy: 0.8404782981521635
Energy: 0.8384287513869136
Energy: 0.7801443648137254
Energy: 0.7767579739404473
Energy: 0.7513860472952143
Energy: 0.8276723113833373
Energy: 0.7315628015617535
Energy: 0.8805759936355
Energy: 0.8288462477561525
Energy: 0.7752206925935452
Energy: 0.8433563930567547
Energy: 0.7316755888112145
Energy: 0.8081803991375083
Energy: 0.7530515318614357
Energy: 0.8391178859169653
Energy: 0.7825832085558986
Energy: 0.7234625514665565
Energy: 1.0241517804845524
Energy: 0.7814266315642091
Energy: 0.7541453602223311
Energy: 0.9617577565049665
Energy: 0.8901977147552186
Energy: 0.7797653525480045
Energy: 0.7867942257416094
Energy: 0.8740995455579257
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Energy: 0.9592791616238193
Energy: 0.9771119282504224
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Energy: 0.8446111049008171
Energy: 0.9152114009266346
Energy: 0.7774514095164494
Energy: 0.7819041810973364
Energy: 0.9527496464152504
Energy: 0.8436777906405448
Energy: 0.9141385303610252
Energy: 0.7613059436359175
Energy: 0.7864867659425256
Energy: 0.8949178717749259
Energy: 0.8959918855318744
Energy: 0.898281896540354
Energy: 0.7927513636392259
Energy: 0.7878318841889669
Energy: 0.9684249365965052
Energy: 0.9056214963570934
Energy: 0.9107865984027731
Energy: 0.8984598087217455
Energy: 0.9015895224182862
Energy: 0.8997209710299832
Energy: 0.8980343466429159
Energy: 0.8924715206001703
Energy: 0.9050017014112616
Energy: 0.8899316178244007
Energy: 0.8953739397601501
Energy: 0.9029365740297548
Energy: 0.8166523320082595
Energy: 0.7558754847051048
Energy: 0.9740992270246179
Energy: 0.8999062195637336
Energy: 0.971064100901802
Energy: 0.7883985111577126
Energy: 0.7574619109757507
Energy: 0.8956634697998174
Energy: 0.8947638890789125
Energy: 0.9692448160852549
Energy: 0.788389447653098
Energy: 0.7797300293270997
Energy: 0.7349658427569159
Energy: 0.7289160554024355
Energy: 0.8536253720400799
Energy: 0.7794008503772502
Energy: 0.8174265259176989
Energy: 0.7347553735115084
Energy: 0.741663590993702
Energy: 0.7842135739631986
Energy: 0.7791625713427965
Energy: 0.8415089207539393
Energy: 0.7281215926051795
Energy: 0.7330201412071645
Energy: 0.8173745412289083
Energy: 0.781922179365503
Energy: 0.8422771974529121
Energy: 0.728742611196284
Energy: 0.7276671826252219
Energy: 0.7782417907837544
Energy: 0.7828288545863444
Energy: 0.8637268420910861
Energy: 0.8983887845761472
Energy: 0.8968198542648151
Energy: 0.884599399336418
Energy: 0.7528924471173565
Energy: 0.9710480664873398
Energy: 0.8696207946634572
Energy: 0.9645442657823278
Energy: 0.8246152128806673
Energy: 0.7505830440766923
Energy: 0.9262544488820184
Energy: 0.8850109157342524
Energy: 0.8908794199390744
Energy: 0.7492698337455788
Energy: 0.9535935503559357
Energy: 0.8843739975736374
Energy: 0.9203764467681675
Energy: 0.9622013156670721
Energy: 0.8874332700693616
Energy: 0.8949976156026576
Energy: 0.8793145148490026
Energy: 0.9018819377324319
Energy: 0.9180985232810835
Energy: 0.7488605459542408
Energy: 0.8705344392797942
Energy: 0.8820273934893224
Energy: 0.9514082063852738
Energy: 0.916638884140904
Energy: 0.7484008413648907
Energy: 0.8817467507418063
Energy: 0.8840675205588823
Energy: 0.8760557106155206
Energy: 0.8260518233059315
Energy: 0.792481671895526
Energy: 0.8730073385724558
Energy: 0.8803300370455988
Energy: 0.8760347698086887
Energy: 0.8475680750261346
Energy: 0.8016686496853458
Energy: 0.8813390152953642
Energy: 0.9529143679097912
Energy: 0.7742062695002475
Energy: 0.7506874063646105
Energy: 0.8500527303057048
Energy: 0.8738656229250733
Energy: 0.9502813001560426
Energy: 0.7859626093800217
Energy: 0.7830706035099467
Energy: 0.7838675167006801
Energy: 0.884471069729807
Energy: 0.7863919313683017
Energy: 0.7544596570762437
Energy: 0.7492929161454197
Energy: 0.8098824555962804
Energy: 0.7232257788471174
Energy: 0.779390247595925
Energy: 0.7564265756967702
Energy: 0.7499940674969638
Energy: 0.8071792399400781
Energy: 0.7232418364500391
Energy: 0.8098195558274864
Energy: 0.7532287244216174
Energy: 0.7510946417215504
Energy: 0.7940825174723599
Energy: 0.7317960478653439
Energy: 0.8095758673350528
Energy: 0.8268461507765629
Energy: 0.7525030847791642
Energy: 0.7933403720047092
Energy: 0.7231222007880747
Energy: 0.7893007182644515
Energy: 0.7539281672154503
Energy: 0.7538507730777652
Energy: 0.8912434898672758
Energy: 0.851563681964716
Energy: 0.8515103743661879
Energy: 0.7186922986785228
Energy: 0.7545901194095346
Energy: 0.9529692186927452
Energy: 0.857751286261344
Energy: 0.8338442677254059
Energy: 0.8921502808070885
Energy: 0.8992329721525163
Energy: 0.9206188268027793
Energy: 0.9145450802562377
Energy: 0.7196719243380554
Energy: 0.7154838047005815
Energy: 0.8347701998150041
Energy: 0.9136973408386568
Energy: 0.9136807027924059
Energy: 0.8297558464336485
Energy: 0.8290442427892747
Energy: 0.9273520557449347
Energy: 0.8540572827992481
Energy: 0.8189858052119856
Energy: 0.7170059351776058
Energy: 0.7177229212798362
Energy: 0.9314734648623206
Energy: 0.8199829873375857
Energy: 0.9861692594346514
Energy: 0.8416227888639133
Energy: 0.816452758343936
Energy: 0.8577899605624342
Energy: 0.818371334911971
Energy: 0.8165842180090069
Energy: 0.82044217170961
Energy: 0.8171292592927151
Energy: 0.8560274947672978
Energy: 0.8568537858898295
Energy: 0.9346202673786044

minimum gb energy = 0.715409945441727 eV
minimum distance =  2.30082071829073 Angstroms
sigma value = 75


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

Energy: 1.8302916456653062
Energy: 0.7815951000633781
Energy: 0.7809560714553018
Energy: 0.8012847033194946
Energy: 0.92480520856373
Energy: 0.7935316911150149
Energy: 0.7810174670740003
Energy: 0.7988985665486661
Energy: 0.8016458583313881
Energy: 0.9248872312993115
Energy: 0.8223326411182489
Energy: 0.845489805226419
Energy: 0.7810888701230048
Energy: 0.8021478721582673
Energy: 0.8016697552791329
Energy: 0.9063585917380089
Energy: 0.8078522737654906
Energy: 0.7805330239453819
Energy: 0.8204178347297117
Energy: 0.8260549417883642
Energy: 0.8177326207673643
Energy: 1.0225396051423123
Energy: 0.8049053348212976
Energy: 0.8022952311592824
Energy: 0.8235435504228984
Energy: 0.8212098094353245
Energy: 0.8875879871027917
Energy: 0.8042642747190141
Energy: 0.8351938193532885
Energy: 0.7881697382830953
Energy: 0.8982682724302772
Energy: 0.785236058226851
Energy: 0.8359063911728004
Energy: 0.8148652624248343
Energy: 0.8025146852219208
Energy: 0.8843308965321803
Energy: 0.7956116281757978
Energy: 0.8092228410498219
Energy: 0.8166799401510089
Energy: 0.8298671539890525
Energy: 0.8328878103966443
Energy: 0.8070384629294127
Energy: 0.95042818835317
Energy: 0.8265548858933175
Energy: 0.7875533032444637
Energy: 0.8036690264074968
Energy: 0.8062825399069721
Energy: 0.9302008159037393
Energy: 0.8275577695437883
Energy: 0.7876686020999735
Energy: 0.7956458872685671
Energy: 0.8125417931352411
Energy: 0.9461080871258729
Energy: 0.8189630586306869
Energy: 0.8076252782481552
Energy: 0.7928709503326872
Energy: 0.8124498023000464
Energy: 0.8049108751818862
Energy: 0.8241162304114196
Energy: 0.8252399363724169
Energy: 0.838393102764897
Energy: 0.9073694856943393
Energy: 0.829486537915969
Energy: 0.8014592080488178
Energy: 0.8271382860532989
Energy: 0.8027461084021048
Energy: 0.8554571477404149
Energy: 0.8199051764288453
Energy: 0.8186398908987516
Energy: 0.8354147703071727
Energy: 0.8205735835233232
Energy: 0.893955191798065
Energy: 1.018889789601276
Energy: 1.0199476362737505
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Energy: 0.801279937157481
Energy: 0.887796714551193
Energy: 0.9453256326502782
Energy: 0.99712262586022
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Energy: 0.8303188859054961
Energy: 0.8199817336266154
Energy: 0.8294604009069827
Energy: 0.8303438183195166
Energy: 0.8216106084995606
Energy: 0.8928742243807593
Energy: 0.8178695508762659
Energy: 0.8176153344703748
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Energy: 0.8245495551010164
Energy: 0.8215145683532393
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Energy: 0.8213461151642601
Energy: 0.8224892621537104
Energy: 0.8130096565704013
Energy: 0.8084378766950083
Energy: 0.7859747077208826
Energy: 0.8195762776298458
Energy: 0.8184451501039826
Energy: 0.8219614018285779
Energy: 0.7972919714364701
Energy: 0.9793793745166237
Energy: 0.8304984672919583
Energy: 0.8203724623217505
Energy: 0.8171886783839925
Energy: 0.8328213697964935
Energy: 0.7898663122593084
Energy: 0.8172695421390651
Energy: 0.8189869200620329
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Energy: 0.8183451891645775
Energy: 0.8313432769854562
Energy: 0.8880006935537024
Energy: 0.8023952582305839
Energy: 0.8806976849625879
Energy: 0.8657615355925682
Energy: 0.8888307022031131
Energy: 0.8414094081999841
Energy: 0.782317113286982
Energy: 0.881389989198095
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Energy: 0.8975897788752575
Energy: 0.8191930155004431
Energy: 0.8540431275514574
Energy: 0.8834677438939457
Energy: 0.8237400892835779
Energy: 0.8310651696657572
Energy: 0.8182729640276111
Energy: 0.8311066541581521
Energy: 0.8887100365078716
Energy: 0.8166327960060782
Energy: 0.8298775318600586
Energy: 0.8253369561146174
Energy: 0.8195040603936916
Energy: 0.8206264337444457
Energy: 0.8214427182248966
Energy: 0.9465449666700283
Energy: 0.8048703914181912
Energy: 0.8180046803978288
Energy: 0.8177189569603907
Energy: 0.8266342505758252
Energy: 0.9435039650312163
Energy: 0.823744307181017
Energy: 0.8271220282452609
Energy: 0.8087363775433698
Energy: 0.815149860990137
Energy: 0.8132761802962444
Energy: 0.830145298058048
Energy: 0.8268687000176377
Energy: 0.8356846011826922
Energy: 0.8126793265178948
Energy: 0.814516547334941
Energy: 0.8361991460470845
Energy: 0.8236307485767757
Energy: 0.8244148348352017
Energy: 0.8119574502760042
Energy: 0.7811769366398221
Energy: 0.8377598079990672
Energy: 0.8294309329889629
Energy: 0.8267392362257716
Energy: 0.8328650265587784
Energy: 0.7816760641812941
Energy: 0.8947260691657739
Energy: 0.8986980747632064
Energy: 0.8784153918228411
Energy: 0.8800415697907547
Energy: 0.7850199472392538
Energy: 0.9001755626637796
Energy: 0.8994357093209356
Energy: 0.8789672137492244
Energy: 0.8801552838152046
Energy: 0.8334957131568727
Energy: 0.8313579966936863
Energy: 0.8200016177900635
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minimum gb energy = 0.777516427381448 eV
minimum distance =  2.31736524060269 Angstroms
sigma value = 105


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

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Energy: 0.8840009582378241
Energy: 0.8522870502742603
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Energy: 0.8547594305407811
Energy: 0.8809175844386982
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Energy: 0.955098253467144
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Energy: 0.8970762018701547
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Energy: 0.924695778742335
Energy: 0.8832311715570689
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Energy: 0.9072843577998272
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Energy: 0.9263663409708432
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Energy: 0.9426478875987686
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Energy: 0.9557415261145353
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Energy: 0.9079537848825787
Energy: 0.9286632995546993
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Energy: 0.9545133131435238
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Energy: 0.9424205982151197
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Energy: 0.923477186503037
Energy: 0.9019511235676126
Energy: 0.9470275345915249
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Energy: 0.9540491481735294
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Energy: 0.8634410763108649
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Energy: 0.8643962149826481
Energy: 0.8590775885859155
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Energy: 0.9284217956356889
Energy: 0.8981298571636789
Energy: 0.8863543484203394
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Energy: 0.9351551606977005
Energy: 0.9316790428744569
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Energy: 0.8603613081350716
Energy: 0.8749954133433332
Energy: 0.8519967549662533
Energy: 0.9653808881324193
Energy: 0.8424454648619261
Energy: 0.8861004347522229
Energy: 0.875656618201984
Energy: 0.8706751515869136
Energy: 0.9082280509853412
Energy: 0.9411708766756447
Energy: 0.900473214207077
Energy: 0.8611082218771352
Energy: 0.9711739422266769
Energy: 0.8756137392389953
Energy: 0.8999301336387004
Energy: 0.8689611806352414
Energy: 0.8609693279243034
Energy: 0.9570606054990692
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Energy: 0.9285839080580801
Energy: 0.8929349860999437
Energy: 0.8505608057323433
Energy: 0.9240902710529425
Energy: 0.9263983142365946
Energy: 0.9275198206529
Energy: 0.8855230436706721
Energy: 0.8688911407872054
Energy: 0.9011211208402011
Energy: 0.8928236437676912
Energy: 0.8905504014687752
Energy: 0.8813179679377289
Energy: 0.8814101896877053
Energy: 0.8481484999109133
Energy: 0.9508301244003629
Energy: 0.8898741007099953
Energy: 0.883677896609913
Energy: 0.8675548560397404
Energy: 0.8651007110163534
Energy: 0.9426701383389169
Energy: 0.9017734749888228
Energy: 0.8481840915192496
Energy: 0.8829452668133627
Energy: 0.887933649401986
Energy: 0.862682527571164
Energy: 0.9245479854873
Energy: 0.8654038009638882
Energy: 0.8849859556800547
Energy: 0.8887228212232688
Energy: 0.9093755012261715
Energy: 0.9649750770499802
Energy: 0.8853661230660351
Energy: 0.8476962734969777
Energy: 0.9316837216913304
Energy: 0.9434705011150178
Energy: 0.9933983145803122
Energy: 0.8692589300649878
Energy: 0.8659712656821424
Energy: 0.9318247301904975
Energy: 0.9320699870130251
Energy: 0.8680331170786297
Energy: 0.9238763937625535
Energy: 0.9236664202688379
Energy: 0.8592828324867826
Energy: 0.9605124154230987
Energy: 0.8450876996749171
Energy: 0.9242299080067586
Energy: 0.9237534164918461
Energy: 0.8794523440388902
Energy: 0.9028472700342008
Energy: 0.9023793298472351
Energy: 0.9248645113459196
Energy: 0.9280856246185487
Energy: 0.8594017462907105
Energy: 0.9582826484485955
Energy: 0.8495929787163052
Energy: 0.9248515724900915
Energy: 0.9364742541579727
Energy: 0.8523876707909653
Energy: 0.968988410013346
Energy: 0.9396666503570786
Energy: 0.9185452646529334
Energy: 0.929742055965707
Energy: 0.8956171886449578
Energy: 0.955962430143202
Energy: 0.9483438253942069
Energy: 0.9235960422758108
Energy: 0.9294187866087612
Energy: 0.8970242255946956
Energy: 0.9560881447422502
Energy: 0.893550888824255
Energy: 0.9387931348466658
Energy: 0.8979202173269321
Energy: 0.9274888943588838
Energy: 0.9244766105918306
Energy: 0.9282023358944677
Energy: 0.9320077620997369
Energy: 0.8436399935422244
Energy: 0.9272598114616263
Energy: 0.9239885348082288
Energy: 0.929571645563417
Energy: 0.945451953146306
Energy: 0.9477094848094697
Energy: 0.932276836336407
Energy: 0.9310589930856316
Energy: 0.9275998818278886
Energy: 0.9345203397585985
Energy: 0.9285931193194742
Energy: 0.9148560727016922
Energy: 0.8987022553022332
Energy: 0.9661789471207529
Energy: 0.8829204504668517
Energy: 0.9375625968678575
Energy: 0.9534299426081654
Energy: 0.8561535477504794
Energy: 0.9318262468735186
Energy: 0.8288435452587228
Energy: 0.9318159851625459
Energy: 0.9371629742501372
Energy: 0.8897961808733208
Energy: 0.9891221628203697
Energy: 0.8854969208328785
Energy: 0.9175465483038384
Energy: 0.9272672758360878
Energy: 0.8619250788927859
Energy: 0.9278825267191204
Energy: 0.8852910268621342
Energy: 0.9293956432596555
Energy: 0.9157101131825953
Energy: 0.9125096205187759
Energy: 0.9585278065948072
Energy: 0.9470050289684808
Energy: 0.9319774751039119
Energy: 0.9687726054543273
Energy: 0.9643464079213238
Energy: 0.8761615959805777
Energy: 0.9469000588597709
Energy: 0.892484535501835
Energy: 0.9413252578403698
Energy: 0.9584987777914167
Energy: 0.935126954725227
Energy: 0.8669281428970392
Energy: 0.8681658017470284
Energy: 0.8632369600999705
Energy: 0.9324422447252123
Energy: 0.8296587567170133
Energy: 0.8523076737121735
Energy: 0.8519376733031875
Energy: 0.8440178721052249
Energy: 0.8921794204454231
Energy: 0.850781383333988
Energy: 0.8519482469626484
Energy: 0.8744311871590751
Energy: 0.8517704050838497
Energy: 0.8516351948459101
Energy: 0.8488335646323769
Energy: 0.8524271189219415
Energy: 0.8674040776592504
Energy: 0.8528154751817313
Energy: 0.9606341132491993

minimum gb energy = 0.8288435452587228 eV
minimum distance =  2.3018434294005 Angstroms
sigma value = 165


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

Energy: 1.2064064780386596
Energy: 0.8484250815288442
Energy: 0.8519211894536562
Energy: 0.8941430003377027
Energy: 0.8091461471835965
Energy: 1.1241987775640616
Energy: 0.8620558180577221
Energy: 0.856846277734667
Energy: 0.9017490186161333
Energy: 0.8463200695480755
Energy: 0.8485822009617499
Energy: 0.9069662558402111
Energy: 0.8973649746701624
Energy: 0.8956011631587212
Energy: 0.8881500664058755
Energy: 0.8746360805773538
Energy: 0.8414765711148431
Energy: 0.9020392158407349
Energy: 0.9007530353040278
Energy: 0.9501347213672231
Energy: 0.8611723955597442
Energy: 0.9559274488165581
Energy: 0.8570580912719539
Energy: 0.86344324876253
Energy: 0.9006243215192771
Energy: 0.8515635645922889
Energy: 0.862007584105437
Energy: 0.9022355866201937
Energy: 0.9009269024270053
Energy: 0.9593298414413107
Energy: 0.8601344017121932
Energy: 0.8918079905795635
Energy: 0.9079691535884519
Energy: 0.8555693155291837
Energy: 0.8569428723329462
Energy: 0.8658717822040639
Energy: 0.9029180219452335
Energy: 0.8599805815907103
Energy: 0.8596825331620258
Energy: 0.8975712867558998
Energy: 0.9412005871206431
Energy: 0.920742638321416
Energy: 0.9013127199552123
Energy: 0.8976253419345241
Energy: 0.8401199674332144
Energy: 0.9009117585399292
Energy: 0.8609393897108452
Energy: 0.8633377265674762
Energy: 0.8475380783334473
Energy: 0.8975991535592803
Energy: 0.8669029878848006
Energy: 0.8687814176798173
Energy: 0.9080529949653784
Energy: 0.8526298586820152
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Energy: 0.8686296127974484
Energy: 0.868860490151374
Energy: 0.9002980554619201
Energy: 0.8507609451428692
Energy: 0.9295773645907441
Energy: 0.8459458468038268
Energy: 0.9258007319211836
Energy: 0.9368474348035128
Energy: 0.8936004889468296
Energy: 0.8562990300292291
Energy: 0.8887413798072129
Energy: 0.8836320669866317
Energy: 0.9389061829368245
Energy: 0.89037271982894
Energy: 0.8537334637283323
Energy: 0.8960075956824861
Energy: 0.9265214243316235
Energy: 0.9298622492084822
Energy: 0.9291321222990219
Energy: 0.899820781285538
Energy: 0.8136454398958868
Energy: 0.92244668797547
Energy: 0.931629439711972
Energy: 0.9315006168227757
Energy: 0.8115024697289693
Energy: 0.8150465148752896
Energy: 0.8481283973666298
Energy: 0.8927358100426196
Energy: 0.9319797984762459
Energy: 0.9244259047732475
Energy: 0.8154701339558136
Energy: 0.8991464429153921
Energy: 0.8906908154884214
Energy: 0.9297590362605831
Energy: 0.89277068919802
Energy: 0.89640644973571
Energy: 0.8734449388168956
Energy: 0.9422875405374868
Energy: 0.9415937081617446
Energy: 0.9268900712066764
Energy: 0.9180615558954139
Energy: 0.8574612048024453
Energy: 0.9310170715535346
Energy: 0.9384653638020776
Energy: 0.9296686994865154
Energy: 0.9238210875558402
Energy: 0.9392839617738594
Energy: 0.8713301639159758
Energy: 0.9383053819650385
Energy: 0.8978652516794565
Energy: 0.9404786929889118
Energy: 0.9168817492212499
Energy: 0.8722130497867747
Energy: 0.9640741269375573
Energy: 0.9019490787653737
Energy: 0.9761621195882295
Energy: 0.9418668513113994
Energy: 0.8717372027040681
Energy: 0.8504344280314514
Energy: 0.8509995154736986
Energy: 0.9457463558945045
Energy: 0.8931962103474184
Energy: 0.9075210441939464
Energy: 0.9067566474775767
Energy: 0.913760747353271
Energy: 0.9143482744709509
Energy: 0.8547422654579082
Energy: 0.8391769766062817
Energy: 0.8434717515005073
Energy: 0.8522208059028489
Energy: 0.8683747243444504
Energy: 0.8960923396147389
Energy: 0.9047021034400456
Energy: 0.9081420868911106
Energy: 0.8663214741350355
Energy: 0.8418226961027184
Energy: 0.8983504382977944
Energy: 0.8908488140462726
Energy: 0.8520872604510684
Energy: 0.8408377263360404
Energy: 0.8915291726512143
Energy: 0.8540663443439539
Energy: 0.8753022342328882
Energy: 0.850077898600487
Energy: 0.8476832254928223
Energy: 0.8456447910276246
Energy: 0.9442842517445689
Energy: 0.8936938710726956
Energy: 0.853472826170635
Energy: 0.8725714576333782
Energy: 0.8663952076859261
Energy: 0.8918495491386557
Energy: 0.9009787527134154
Energy: 0.8574753986269512
Energy: 0.9088345249398448

minimum gb energy = 0.8091461471835965 eV
minimum distance =  2.31591946361569 Angstroms
sigma value = 41


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

Energy: 0.8248502556634052
Energy: 0.7352615877176973
Energy: 0.7381161538793466
Energy: 0.747687170366754
Energy: 0.7333326400260788
Energy: 0.7990167337097931
Energy: 0.7426334416966902
Energy: 0.7381084691874044
Energy: 0.7361024698153513
Energy: 0.7877325122849056
Energy: 0.7982819365196366
Energy: 0.7409147250416607
Energy: 0.7414936986747104
Energy: 0.7473465831188556
Energy: 0.7519581735438833
Energy: 0.7971816216740764
Energy: 0.7409993191886844
Energy: 0.7410105240834483
Energy: 0.7397768473313764
Energy: 0.7518720590596053
Energy: 0.7680449063636992
Energy: 0.7697230526676984
Energy: 0.7714746729889653
Energy: 0.766951562046691
Energy: 0.7528568603823609
Energy: 0.768183301894587
Energy: 0.7690528978338526
Energy: 0.771257577392723
Energy: 0.7690540405404037
Energy: 0.7522446365178613
Energy: 0.7787098273332201
Energy: 0.7434581291655185
Energy: 0.7737115141563496
Energy: 0.7589583462434062
Energy: 0.7820960822233461
Energy: 0.7781512481575886
Energy: 0.7438362780999793
Energy: 0.773467547956616
Energy: 0.7594744347254089
Energy: 0.7787071833664873
Energy: 0.7892131951392941
Energy: 0.7682028780436275
Energy: 0.7720867963882563
Energy: 0.7858183834644583
Energy: 0.7936488851709085
Energy: 0.7894408491253714
Energy: 0.7718881677912257
Energy: 0.7796888581891973
Energy: 0.7923237748613035
Energy: 0.7917922782744943
Energy: 0.7941829784587757
Energy: 0.7810016923169182
Energy: 0.7717700277003794
Energy: 0.7393456022835604
Energy: 0.7995162143168415
Energy: 0.7949911630340427
Energy: 0.7678651870871002
Energy: 0.7744994822357243
Energy: 0.7641678140135273
Energy: 0.7969325378297892
Energy: 0.7895254035601915
Energy: 0.7904272417754926
Energy: 0.7840862927705845
Energy: 0.7478099233606409
Energy: 0.7889313008381745
Energy: 0.7910309084288425
Energy: 0.7930643086453913
Energy: 0.7732955631755513
Energy: 0.7670268908427681
Energy: 0.7892571090526206
Energy: 0.7374956001007414
Energy: 0.7686877453568141
Energy: 0.7706634048453502
Energy: 0.7426701857418184
Energy: 0.772233226181345
Energy: 0.7686719968509617
Energy: 0.7679852114483273
Energy: 0.7709851126999386
Energy: 0.7399415694448981
Energy: 0.7826786828551752
Energy: 0.7864925004149288
Energy: 0.7694579442437017
Energy: 0.7524486181185356
Energy: 0.754971848071912
Energy: 0.7689226039381852
Energy: 0.7487353229217106
Energy: 0.7579477703545513
Energy: 0.7519851078824848
Energy: 0.7719353848616918
Energy: 0.7683252875003366
Energy: 0.7526447874743929
Energy: 0.740978635418277
Energy: 0.7433494983046796
Energy: 0.7487179336712646
Energy: 0.7960061552392692
Energy: 0.7533230510772407
Energy: 0.7408639806785855
Energy: 0.7439256371553332
Energy: 0.7413988244036211
Energy: 0.7906804718552053
Energy: 0.7386716156764225
Energy: 0.7407027631845613
Energy: 0.7370360312788715
Energy: 0.7378500042597622
Energy: 0.8548302537550576
Energy: 0.7386084491247487
Energy: 0.7406232540933785
Energy: 0.7372339320780472
Energy: 0.738495579155643
Energy: 0.932636260953161
Energy: 0.740772040970031
Energy: 0.7472959059990364
Energy: 0.7381517308866338
Energy: 0.7403688136746153
Energy: 0.7981109010542047
Energy: 0.7397772524126016
Energy: 0.740834289152939
Energy: 0.7449370672759497
Energy: 0.7410033570802425
Energy: 0.7971448539316538
Energy: 0.7393852323812541
Energy: 0.7360252910733872
Energy: 0.7431577654802579
Energy: 0.7792905861476713
Energy: 0.7693759896007083
Energy: 0.7386336599289954
Energy: 0.73842612322965
Energy: 0.7409979803240286
Energy: 0.7987789150401028
Energy: 0.7699054873416956
Energy: 0.7419980237995827
Energy: 0.7431595760543283
Energy: 0.7363539195534771
Energy: 0.749401211319922
Energy: 0.7798940329248998
Energy: 0.740417740817596
Energy: 0.7438598037762265
Energy: 0.7356325559418411
Energy: 0.7557043307396988
Energy: 0.7825010502882938
Energy: 0.7462468341601252
Energy: 0.7456336191795364
Energy: 0.7442329805452504
Energy: 0.7807449720246169
Energy: 0.7635605036267712
Energy: 0.735733002125535
Energy: 0.746388512287509
Energy: 0.741255252852268
Energy: 0.789657359332971
Energy: 0.7835970970668533
Energy: 0.75871520263906
Energy: 0.7680675101886195
Energy: 0.7497792591499863
Energy: 0.7783658190605061
Energy: 0.7689485653490626
Energy: 0.9323077063735853
Energy: 0.7586307610660855
Energy: 0.749927920848686
Energy: 0.7778163692991585
Energy: 0.7733432586818437
Energy: 0.7713190248176576
Energy: 0.7691013832974919
Energy: 0.7631429647345164
Energy: 0.7489109125276241
Energy: 0.7720683617157282
Energy: 0.7736419151542481
Energy: 0.768087932363876
Energy: 0.7598399928662157
Energy: 0.7761507452234238
Energy: 0.7571683292149468
Energy: 0.7717458323245356
Energy: 0.7880577286763002
Energy: 0.8529995733902396
Energy: 0.7966157883972267
Energy: 0.7680293937981584
Energy: 0.7722337391236839
Energy: 0.784928720574843
Energy: 0.7896371264933
Energy: 0.8017774384670013
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Energy: 0.7961025354579803
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Energy: 0.777035809215533
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Energy: 0.7477792401665724
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Energy: 0.7709689089312605
Energy: 0.7864328886340952
Energy: 0.7838138047040883
Energy: 0.7298802873053409
Energy: 0.7829714617634936
Energy: 0.7481492142047222
Energy: 0.7892687250647593
Energy: 0.781595963369783
Energy: 0.7613773620467511
Energy: 0.7885688941977709
Energy: 0.7710085920309396
Energy: 0.770549967513727
Energy: 0.7691844577430037
Energy: 0.7609066378239101
Energy: 0.7856484068427778
Energy: 0.792442903070934
Energy: 0.7702567325726873
Energy: 0.770013900918095
Energy: 0.7464620067797925
Energy: 0.7870470121671662
Energy: 0.7991222056880602
Energy: 0.7658730482932562
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Energy: 0.7437778199050596
Energy: 0.781582454385605
Energy: 0.7970842953981694
Energy: 0.7645252033676694
Energy: 0.7412813890898141
Energy: 0.7716997930250828
Energy: 0.7698931032408259
Energy: 0.7842616037633551
Energy: 0.7621520347954645
Energy: 0.7316639032524783
Energy: 0.768762645557381
Energy: 0.7710138655271443
Energy: 0.7853368343493627
Energy: 0.761663844376871
Energy: 0.9047555958783172
Energy: 0.7703320256213569
Energy: 0.7922286923373888
Energy: 0.740636274687516
Energy: 0.7407293751642916
Energy: 0.7403249109978903
Energy: 0.7690967660351256
Energy: 0.813425000908132
Energy: 0.7401186026940726
Energy: 0.7398890665361577
Energy: 0.7357858280830786
Energy: 0.7388075363261681
Energy: 0.7881257956364722
Energy: 0.7383560972725621
Energy: 0.7483658345198679
Energy: 0.7404649917847471
Energy: 0.7391135007162318
Energy: 0.7872186775411602
Energy: 0.7385959900984269
Energy: 0.7475823295458278
Energy: 0.7367082262142892
Energy: 0.7531431588727493
Energy: 0.7994305735682993
Energy: 0.7480577778826463
Energy: 0.7379009922107919
Energy: 0.7408669611762594
Energy: 0.7525766430196027
Energy: 0.7936222617832738
Energy: 0.7482395425949712
Energy: 0.7386709624468282
Energy: 0.7405111176735906
Energy: 0.7520024855849252
Energy: 0.7390604222013346
Energy: 0.742102787329198
Energy: 0.7391708606363425
Energy: 0.7397538821078474
Energy: 0.7542638239363411
Energy: 0.738764938837148
Energy: 0.7409331144848893
Energy: 0.7389115981166916
Energy: 0.7656705657637305

minimum gb energy = 0.7298802873053409 eV
minimum distance =  2.31319242110997 Angstroms
sigma value = 185


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

Energy: 0.40901757680238227
Energy: 0.5005518423617155
Energy: 0.5083699262629872
Energy: 0.4923280105577509
Energy: 0.3287932326524516
Energy: 0.32715465144923117
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Energy: 0.5051998176235776
Energy: 0.4903262633730886
Energy: 0.4108135978747295
Energy: 0.5116245288373289
Energy: 0.48516216316044347
Energy: 0.5059317879996581
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Energy: 0.48895407786390827
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Energy: 0.49191324065506925
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Energy: 0.48274314801684143
Energy: 0.3313970514253659
Energy: 0.5017109497550376
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Energy: 0.5047654277335888
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Energy: 0.5047113430365782
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Energy: 0.32726797352035936
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Energy: 0.47735815560588135
Energy: 0.33016259421869526
Energy: 0.5062213278780721
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Energy: 0.5465436203605464
Energy: 0.3283137890126919
Energy: 0.3450756865304686
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Energy: 0.49450316982900366
Energy: 0.5114009495188563
Energy: 0.333229932155065
Energy: 0.3305052381989404
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Energy: 0.5162541452328826
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Energy: 0.3296694097429554
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Energy: 0.49961665137168665
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Energy: 0.5501342597497316
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Energy: 0.5023986377016469
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Energy: 0.512020979137087
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Energy: 0.48488544363639635
Energy: 0.32715237430493266
Energy: 0.3280844467290053
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Energy: 0.5019296892280196
Energy: 0.48833121906809734
Energy: 0.33201815979699967
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Energy: 0.49521104294119755
Energy: 0.5116889113827349
Energy: 0.499711074964857
Energy: 0.338167561005981
Energy: 0.4994775879245077
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Energy: 0.5145030328863616
Energy: 0.3428660168738856
Energy: 0.4996228252507316
Energy: 0.5107311903093742
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Energy: 0.5032108352548741
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Energy: 0.5033347422761334
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Energy: 0.4919328023700409
Energy: 0.3301504433624061
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Energy: 0.5074604494309077
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Energy: 0.4943366251035271
Energy: 0.3704035394731654
Energy: 0.3684712496499803
Energy: 0.5113874695537632
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Energy: 0.32833922304929924
Energy: 0.3271815242224337
Energy: 0.5084332027308738
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Energy: 0.5063610023424929
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Energy: 0.33566383694474944
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Energy: 0.5036151537461401
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Energy: 0.5497482459106601
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Energy: 0.5160562196510857
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Energy: 0.3285251476437106
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Energy: 0.5171314621668504
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Energy: 0.49885618487934036
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Energy: 0.5507310457055813
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Energy: 0.5023942659290784
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Energy: 0.5513890617994597
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Energy: 0.5196842657531745
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Energy: 0.49547862882435106
Energy: 0.4936973547526209
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Energy: 0.32781866409148785
Energy: 0.49722276094258955
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Energy: 0.32687622172242314
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Energy: 0.4919923492467728
Energy: 0.49547713994878567
Energy: 0.3306919907696746
Energy: 0.32647296525143543
Energy: 0.49204388054960474
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Energy: 0.3470343890492891
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Energy: 0.5029939479561762
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Energy: 0.49584481319209117
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Energy: 0.5483211147751631
Energy: 0.4997001815496549
Energy: 0.4930006796670566
Energy: 0.3273527362577956
Energy: 0.33180440883302065
Energy: 0.49487089253265854
Energy: 0.49875123406838034
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Energy: 0.32768741392828915
Energy: 0.49572418526381157
Energy: 0.5018395313714814
Energy: 0.5108635699524008
Energy: 0.5021217960572938
Energy: 0.3293361592859492
Energy: 0.49535851834092215
Energy: 0.5164399003468841
Energy: 0.5110482564268101
Energy: 0.5023654251743768
Energy: 0.5026739385565211
Energy: 0.49356873648473487
Energy: 0.5171036636940329
Energy: 0.4826170623865844
Energy: 0.3454450654806083
Energy: 0.4885278884678223
Energy: 0.5157578125345664
Energy: 0.5114236163470808
Energy: 0.4941483352235788
Energy: 0.34590441885575535
Energy: 0.5005708227601359
Energy: 0.5511507703599509
Energy: 0.4938216438812861
Energy: 0.34643988368911743
Energy: 0.330431030894258
Energy: 0.4893025774610173
Energy: 0.5180585925280066
Energy: 0.49599299521635914
Energy: 0.3292845161727953
Energy: 0.3313754951613982
Energy: 0.5100570756488549
Energy: 0.5081333549225844
Energy: 0.4882668404422861
Energy: 0.4912441834349608
Energy: 0.5103620663525786
Energy: 0.48453762674368933
Energy: 0.4997807643597259
Energy: 0.5131819710095658
Energy: 0.5035303700270118
Energy: 0.4926907143330833
Energy: 0.4873722502999932
Energy: 0.4911073143857131
Energy: 0.4876732131709035
Energy: 0.41549930274166275
Energy: 0.4919230905399062
Energy: 0.487919586786242
Energy: 0.5034782148062482
Energy: 0.4984282938922443
Energy: 0.3335282554186969
Energy: 0.4937805927488344
Energy: 0.4847747099446505
Energy: 0.5395517121898091
Energy: 0.4115032655465215

minimum gb energy = 0.32647296525143543 eV
minimum distance =  2.39724691972618 Angstroms
sigma value = 33


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

Energy: 0.7115079530289133
Energy: 0.6874300987561308
Energy: 0.707511725257102
Energy: 0.7110405825275439
Energy: 0.678662632366532
Energy: 0.6761958041939329
Energy: 0.6888576088526824
Energy: 0.7089968142526081
Energy: 0.6995083202555045
Energy: 0.6815464535071336
Energy: 0.6881271148000492
Energy: 0.7211390244119916
Energy: 0.6987688995538355
Energy: 0.6933197088650885
Energy: 0.7048249985307533
Energy: 0.6809627391216488
Energy: 0.7186609858858171
Energy: 0.7064285313660565
Energy: 0.693087618734697
Energy: 0.7075562730210313
Energy: 0.693263983471257
Energy: 0.6959588003569216
Energy: 0.6946119416615669
Energy: 0.714885688266838
Energy: 0.6799554511697731
Energy: 0.6878477195800885
Energy: 0.6967806735732334
Energy: 0.6955997805679429
Energy: 0.7184308011618681
Energy: 0.6794374999700132
Energy: 0.7241333903989993
Energy: 0.7021600533852237
Energy: 0.7031356402760182
Energy: 0.6929475094345303
Energy: 0.684427598561773
Energy: 0.6820298438567952
Energy: 0.7007894231751569
Energy: 0.6956198834500344
Energy: 0.7006189082201902
Energy: 0.6968620999647025
Energy: 0.6970753305669597
Energy: 0.6956752207756568
Energy: 0.7020774591520665
Energy: 0.6879236629871645
Energy: 0.6792562455367732
Energy: 0.6996849983732234
Energy: 0.7086858212043313
Energy: 0.7009500527558928
Energy: 0.6881499465585622
Energy: 0.688416784887996
Energy: 0.6990684503807345
Energy: 0.6972290391580104
Energy: 0.7750667925779613
Energy: 0.6940521389429088
Energy: 0.6816794879398926
Energy: 0.6997877479816289
Energy: 0.700335548683704
Energy: 0.761597908555597
Energy: 0.6940992838658703
Energy: 0.6822413268183398
Energy: 0.6909158336968096
Energy: 0.6996069310191282
Energy: 0.689118089625066
Energy: 0.6952051148066329
Energy: 0.7256837084315071
Energy: 0.7728789316446184
Energy: 0.7001477209954392
Energy: 0.6892815397630594
Energy: 0.692810798557577
Energy: 0.7055404942816199
Energy: 0.6890773259716148
Energy: 0.6998598666159688
Energy: 0.6850413650658549
Energy: 0.698350029742455
Energy: 0.6878203830610738
Energy: 0.6893649046551265
Energy: 0.7007582269640296
Energy: 0.6846041255986615
Energy: 0.7018852065457628
Energy: 0.6879351724345069
Energy: 0.6875992357390719
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Energy: 0.709193337660371
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Energy: 0.6879786047598371
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Energy: 0.6979108105613875
Energy: 0.7057977200370551
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Energy: 0.7042439481608592
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Energy: 0.6952686079059792
Energy: 0.725239253981827
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Energy: 0.6955444470506266
Energy: 0.6823323336542476
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Energy: 0.7089877361071945
Energy: 0.693834359115984
Energy: 0.6945617731405369
Energy: 0.6891148437381286
Energy: 0.6877034140572963
Energy: 0.7268137714167304
Energy: 0.7177092708692595
Energy: 0.6901699744094623
Energy: 0.6817104596931479
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Energy: 0.7343910259002371
Energy: 0.6899263131221538
Energy: 0.6942436311874693
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Energy: 0.6740769151831971
Energy: 0.6899497697523665
Energy: 0.6983298874156472
Energy: 0.7183385977739255
Energy: 0.6924898190414082

minimum gb energy = 0.6740769151831971 eV
minimum distance =  2.3215210343382 Angstroms
sigma value = 219


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

Energy: 0.8987270111613563
Energy: 0.9017114527536254
Energy: 0.9032421701387092
Energy: 0.9028432465916962
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Energy: 0.8897548964937927
Energy: 0.9114561983638665
Energy: 0.9112202456651527
Energy: 0.8913761685861183
Energy: 0.8877215340618972
Energy: 0.9098134563405688
Energy: 0.8997216515300073
Energy: 0.9054910835676893
Energy: 0.8912409024949018
Energy: 0.8879530502712445
Energy: 0.90821674067184
Energy: 0.8997066812468602
Energy: 0.9279407616720121
Energy: 0.9245154984107872
Energy: 0.891888996836919
Energy: 0.9037131310086942
Energy: 0.8992452882431312
Energy: 0.9067986711831704
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Energy: 0.9024882518335544
Energy: 0.8936833291907662
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Energy: 0.8701175074553074
Energy: 0.9001414482267669
Energy: 0.8976705309574005
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Energy: 0.8754784728515892
Energy: 0.8699252514644626
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Energy: 0.902928611988262
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Energy: 0.9189828045555889
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Energy: 0.9013192813617493
Energy: 0.9052278696415396
Energy: 0.9010517637907908
Energy: 0.9185952987614636
Energy: 0.9123783314780444
Energy: 0.8722791906666704
Energy: 0.8994635749193162
Energy: 0.9117458308766025
Energy: 0.9014497612030895
Energy: 0.9038635171240337
Energy: 0.8978971098304632
Energy: 0.8991348588623777
Energy: 0.9114443079868582
Energy: 0.9188548357649114
Energy: 0.9040506835744326
Energy: 0.911087079987992
Energy: 0.8991488288398473
Energy: 0.8920922204119694
Energy: 0.9067573124006161
Energy: 0.9008903208738177
Energy: 0.9121328375049956
Energy: 0.89998042711129
Energy: 0.9234493652569827
Energy: 0.906157155117723
Energy: 0.9024490944574762
Energy: 0.8946060025473103
Energy: 0.9113548980358978
Energy: 0.8895597140389635
Energy: 0.890947800434277
Energy: 0.9037572576592323
Energy: 0.8959303273367626
Energy: 0.9117895901080868
Energy: 0.890052393489374
Energy: 0.8920660005443743
Energy: 0.9018092206083512

minimum gb energy = 0.8699252514644626 eV
minimum distance =  2.33934659925726 Angstroms
sigma value = 15


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

Energy: 1.5509866087787698
Energy: 1.0225512489408808
Energy: 1.0260996676051328
Energy: 1.0153772548408402
Energy: 1.0713415945635298
Energy: 0.9994990822678684
Energy: 1.022495276939292
Energy: 1.0289786035479667
Energy: 1.0130676963120118
Energy: 1.037014797420658
Energy: 1.0123974560934044
Energy: 1.0133731359206835
Energy: 1.0142911349041426
Energy: 1.0137628283200837
Energy: 1.0177672150339119
Energy: 1.0228118429502464
Energy: 1.0146697413431174
Energy: 1.0110398633397732
Energy: 1.016101212483662
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minimum gb energy = 0.9864336459343062 eV
minimum distance =  2.32390856060996 Angstroms
sigma value = 293


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

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Energy: 1.0282793082998858
Energy: 1.0195735894787157
Energy: 1.0260256754280777
Energy: 1.041415344079726
Energy: 1.029346031073003
Energy: 1.0305513996307896
Energy: 1.0198331595444583
Energy: 1.0254318814806118
Energy: 1.0417686832500872
Energy: 1.0034686051400932
Energy: 1.0293172348093251
Energy: 1.0774473688742285
Energy: 1.0024866118434421
Energy: 1.0408467439697433
Energy: 1.0032702642470797
Energy: 1.0311350187388724
Energy: 1.076629806632384
Energy: 1.0032269057333403
Energy: 1.0168026249738473
Energy: 1.0155387188352296
Energy: 1.0457048757726037
Energy: 1.0024462590891217
Energy: 1.0093743486229156
Energy: 1.042435964981981
Energy: 1.0153458765734755
Energy: 1.0474846287213397
Energy: 1.0114077757694535
Energy: 1.015785792415501
Energy: 1.0418938942930642
Energy: 0.9767865393197133
Energy: 1.0210700810353508
Energy: 1.0037877829520514
Energy: 1.0014508974452876
Energy: 1.0237321320401234
Energy: 0.9766486400018618
Energy: 1.0194563670606127
Energy: 1.0027975267705356
Energy: 1.0028202709791532
Energy: 1.019165045521045
Energy: 1.0008740413232462
Energy: 0.9996875945465961
Energy: 0.9994683019373918
Energy: 1.00712551815305
Energy: 1.0021022997418034
Energy: 1.000741974363536
Energy: 0.9999211352746683
Energy: 1.0019895454511842
Energy: 1.0077024950449207
Energy: 1.0058295445947496
Energy: 1.0205183171224221
Energy: 0.9998970297941837
Energy: 1.0014314861720062
Energy: 1.0560814545117971
Energy: 1.0382547324028333
Energy: 1.022944083755152
Energy: 0.9998783598988157
Energy: 1.0011453582192074
Energy: 1.0556548365217349
Energy: 1.0045659297240639
Energy: 1.0580010662928507
Energy: 0.9789699847563244
Energy: 0.9800138988612725
Energy: 1.0325571628811878
Energy: 1.0361030813329466
Energy: 1.0623355051745602
Energy: 0.9785701974332239
Energy: 0.980259745818333
Energy: 1.0043550688255298
Energy: 1.039065756567743
Energy: 1.0289084281924923
Energy: 0.9812441614432307
Energy: 1.027827258131049
Energy: 1.0030265655422568
Energy: 1.0031148940537857
Energy: 1.0299608135893388
Energy: 0.9808654476630907
Energy: 1.0540449538716805
Energy: 1.0018758147825997
Energy: 1.0055332843007867
Energy: 0.999692576084357
Energy: 1.0051785013731644
Energy: 1.015143843486213
Energy: 1.004656975270083
Energy: 1.00037627721432
Energy: 0.9999588891572684
Energy: 1.000863390727995
Energy: 1.0146813947438684
Energy: 1.0028680362171938
Energy: 1.0003433596733509
Energy: 0.9975204557257278
Energy: 0.9971053836851798
Energy: 1.0216178313647315
Energy: 1.0004959390949293
Energy: 1.0275843103260338
Energy: 0.9980691242722186
Energy: 0.9977420766152147
Energy: 1.022309930374428
Energy: 1.0002030650856748
Energy: 1.0282724057635306
Energy: 1.0434736873229102
Energy: 1.019679764298301
Energy: 1.0436971984361476
Energy: 1.027485247023671
Energy: 1.035589298453902
Energy: 1.0028479578824379
Energy: 1.0413503354700395
Energy: 1.0443416194003439
Energy: 1.027849171863133
Energy: 1.0148240865755516
Energy: 1.0258371007311744
Energy: 1.0097598909229248
Energy: 1.0409703633708782
Energy: 1.030236260325031
Energy: 1.0479156362703577
Energy: 1.0284817178467214
Energy: 1.0426316903228297
Energy: 1.0416622915781957
Energy: 1.0281769420393927
Energy: 1.007234318392632
Energy: 1.0082451430347983
Energy: 1.011713611597695
Energy: 1.0625633026589298
Energy: 1.0173388599462776
Energy: 1.0024004549572356
Energy: 1.0072281258424256
Energy: 1.0121903188928938
Energy: 1.0120792994464753
Energy: 1.022998649206452
Energy: 1.002782975077513
Energy: 1.000690355006757
Energy: 1.0169447051675335
Energy: 0.9768709345637961
Energy: 0.9778737725515007
Energy: 1.0065304091116174
Energy: 0.9996757401850949
Energy: 1.0195986581789533
Energy: 0.9766997384930334
Energy: 0.9766133964002086
Energy: 1.0063113491911286
Energy: 1.0054086312067976
Energy: 1.0099399522886303
Energy: 1.0136638365589936
Energy: 1.0019813481583635
Energy: 1.003237286372514
Energy: 1.0055745700438685
Energy: 1.011303202648812
Energy: 1.0401523416831175
Energy: 1.0021258340150265
Energy: 1.002680924713261
Energy: 1.0324026758703917
Energy: 1.0021034535871522
Energy: 1.0078331253090773
Energy: 1.030159868580753
Energy: 1.0030196932736348
Energy: 1.0320863851411664
Energy: 1.0013288962734033
Energy: 0.9985864751492821
Energy: 1.0300932415203112
Energy: 1.0063144619511293
Energy: 0.9799748185629998
Energy: 1.0074577681676156
Energy: 1.0248300386946017
Energy: 1.0069051991070734
Energy: 0.9804906057803225
Energy: 1.0216262385174024
Energy: 1.0020671763326048
Energy: 1.0466359016072972
Energy: 1.0558123420350651
Energy: 0.9847174616171143
Energy: 1.0535898485453616
Energy: 0.9995608635485781
Energy: 0.9991225850061709
Energy: 1.0460441864989893
Energy: 1.0542773663674587
Energy: 1.056656590657579
Energy: 0.9994679981536884
Energy: 0.9996097433138592
Energy: 1.0018696965670422
Energy: 0.9805877856285069
Energy: 1.0110020762109808
Energy: 1.0032207704282654
Energy: 1.0016088478804606
Energy: 1.041811901456157
Energy: 1.0035547571515884
Energy: 1.0096699771916249
Energy: 1.0048695866779829
Energy: 1.000837362307704
Energy: 1.0174570749613874
Energy: 1.028277120614856
Energy: 1.0034703604174877
Energy: 1.0282012997196706
Energy: 1.022286512358584
Energy: 0.9974768094974646
Energy: 0.9979658739013639
Energy: 1.0026271371138762
Energy: 1.030238739847596
Energy: 1.0204059273482895
Energy: 0.9969629764760141
Energy: 0.9975762402116928
Energy: 1.0024871887597018
Energy: 1.0280077893515034
Energy: 1.0719849966097457
Energy: 1.0032234324813676
Energy: 1.0408303845988334
Energy: 1.0369530327221683
Energy: 1.0307757617241093
Energy: 1.061152868247404
Energy: 1.0128969578399567
Energy: 1.0412394729735222
Energy: 1.0027482857761598
Energy: 1.0282160821287432
Energy: 1.086530997160556
Energy: 1.0025322463112811
Energy: 1.0411231239360723
Energy: 1.003861256671739
Energy: 1.0293159694457938
Energy: 1.079822319576982
Energy: 1.0028260769243036
Energy: 1.040667932471487
Energy: 0.9770148002441642
Energy: 1.0623516753769218
Energy: 1.0020889741015613
Energy: 1.0061010860675372
Energy: 1.0436999765762123
Energy: 1.0270597843391778
Energy: 1.0201420894422064
Energy: 1.0023823017459255
Energy: 1.006771148535749
Energy: 1.0293371142732424

minimum gb energy = 0.9765622422284174 eV
minimum distance =  2.29525698243882 Angstroms
sigma value = 293


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

Energy: 0.9676659726386903
Energy: 0.9880501479288851
Energy: 1.0544340802519017
Energy: 0.9871559664518865
Energy: 0.9718848623817928
Energy: 0.9675339593120107
Energy: 0.9894051220431594
Energy: 1.054184788943595
Energy: 0.9880752304774858
Energy: 0.971062607179665
Energy: 1.042287253456938
Energy: 0.980585976918399
Energy: 0.9792789821675439
Energy: 0.9789613477317274
Energy: 0.9809004615174809
Energy: 1.0410704140479081
Energy: 0.9808405130987942
Energy: 0.9707713640321838
Energy: 0.9801732671524145
Energy: 0.9814676027872516
Energy: 0.9837082708982767
Energy: 0.9808617776343701
Energy: 0.9826459274850621
Energy: 0.9889972166372754
Energy: 1.0422382614943326
Energy: 0.9816226902646776
Energy: 0.9801901829009239
Energy: 0.981301952092228
Energy: 1.0564619336621133
Energy: 1.042233971787729
Energy: 1.0576706908967248
Energy: 0.9688105296590178
Energy: 0.9698832795645618
Energy: 0.9807299606624109
Energy: 1.063605423397494
Energy: 1.0565471761460636
Energy: 0.9686012752922148
Energy: 0.9704472716806457
Energy: 0.9822564656834237
Energy: 0.9681904109218981
Energy: 0.9827727316474703
Energy: 0.9703830680125595
Energy: 0.9682182614315216
Energy: 0.9837273373375147
Energy: 0.9824356787584086
Energy: 0.9810927356414599
Energy: 0.9722853358773791
Energy: 0.9680000223798408
Energy: 0.9808460080862127
Energy: 0.9805811130040611
Energy: 0.980660796826875
Energy: 1.0577246305842294
Energy: 0.9911592784274363
Energy: 0.9817283150307254
Energy: 0.9716909513569338
Energy: 0.9813434317461386
Energy: 1.055141725599143
Energy: 0.989138523456705
Energy: 0.9845466664130791
Energy: 0.9741153544107372
Energy: 1.0581846480753954
Energy: 0.9683085179273073
Energy: 0.9802739855519316
Energy: 0.9809154103818392
Energy: 0.9810333432638522
Energy: 0.9894970947154752
Energy: 0.9670494678971223
Energy: 0.980205739434176
Energy: 0.9806709121078037
Energy: 0.9807241763610578
Energy: 0.9824560548672274
Energy: 1.0382988933919317
Energy: 0.9889826657769447
Energy: 0.968297273746291
Energy: 0.9704786405980549
Energy: 0.9854379701994086
Energy: 1.0380023351607577
Energy: 0.9870176160245617
Energy: 0.9687025052921041
Energy: 0.9709393046578522
Energy: 0.9806483962968207
Energy: 0.9720310400349681
Energy: 0.9792775429756782
Energy: 0.9690959349400547
Energy: 1.0420008184605003
Energy: 0.9801487570127345
Energy: 0.9795912278881279
Energy: 0.9792747064226353
Energy: 0.9684476877237812
Energy: 1.0464624960297424
Energy: 0.9850982441218962
Energy: 0.9839300568152043
Energy: 1.0385505650145286
Energy: 1.0578538581354135
Energy: 0.9870114160546827
Energy: 0.9945449476058209
Energy: 0.986015672551655
Energy: 1.0389986857862246
Energy: 0.9878638933999863
Energy: 0.9816169191268214
Energy: 0.9689623562788507
Energy: 0.9883200252064789
Energy: 0.981260297025537
Energy: 0.9847741101081772
Energy: 1.0440648922224671
Energy: 0.9693103402231477
Energy: 0.9832389225758638
Energy: 0.9667327262250036
Energy: 0.986970393968221
Energy: 1.0438798708297465
Energy: 0.9678241999241769
Energy: 0.9879541475586068
Energy: 1.0532847564091874
Energy: 0.9873888942490211
Energy: 0.9721729679020046
Energy: 0.968153533567464
Energy: 0.9892967593448468
Energy: 1.0560758793327987
Energy: 0.9882871190104972
Energy: 0.9711315046522072
Energy: 1.0426313414511874
Energy: 0.9805052664995066
Energy: 0.9791521838727735
Energy: 0.9789935988898162
Energy: 0.9808231778921871
Energy: 1.0416221401191972
Energy: 0.9808387228154124
Energy: 0.9720782366680648
Energy: 0.9797404560627839
Energy: 0.9815433016100966
Energy: 0.9848110212202281
Energy: 0.9815346871442369
Energy: 0.9828713555736718
Energy: 1.0574608334465947
Energy: 1.042109756530267
Energy: 0.9818410629910778
Energy: 0.9805950229161847
Energy: 0.9813442563268887
Energy: 1.0552840996049913
Energy: 1.042311998363546
Energy: 1.0586412004754067
Energy: 0.9687248878537301
Energy: 0.9697473517122733
Energy: 0.9803540983872856
Energy: 1.0650278841224972
Energy: 1.0570075900489337
Energy: 0.9685133109120625
Energy: 0.9709603770966515
Energy: 0.9816980416508552
Energy: 1.0423423739404614
Energy: 0.982860020844201
Energy: 0.9705508143323185
Energy: 0.9682282866910858
Energy: 0.982270986941148
Energy: 0.9850907204458168
Energy: 0.9812088113816836
Energy: 0.9703525159386386
Energy: 0.9680391032612945
Energy: 0.9808148021660448
Energy: 0.9809577686536202
Energy: 0.9806412007636022
Energy: 1.057832853273267
Energy: 0.991805346213441
Energy: 0.9816639567780192
Energy: 0.9715056479278951
Energy: 0.9812628965403525
Energy: 1.0558064028660576
Energy: 0.9893154855318662
Energy: 0.9836373416954597
Energy: 0.9734799525529181
Energy: 1.0577841267032093
Energy: 0.9684191748369801
Energy: 0.9802633158364599
Energy: 0.9811006385718881
Energy: 0.981819857471512
Energy: 0.986659577865529
Energy: 0.9670452490454026
Energy: 0.980920560618738
Energy: 0.9809207970392012
Energy: 0.9809560216357139
Energy: 0.9822801797433649
Energy: 1.0379502966019631
Energy: 0.989518184888711
Energy: 0.9682947416934766
Energy: 0.9706859451827514
Energy: 0.9849483825101495
Energy: 1.0378325266230686
Energy: 0.9873559878515784
Energy: 0.9686233251167693
Energy: 0.9711393423846613
Energy: 0.9806245348069548
Energy: 0.9723717357266907
Energy: 0.9797078677397595
Energy: 0.9693060067109717
Energy: 1.043855353349785
Energy: 0.9802990644795516
Energy: 0.9789993761570683
Energy: 0.9796187197408475
Energy: 0.9685164101618642
Energy: 0.9822425101865286
Energy: 0.9843011223893666
Energy: 0.9832827828401057
Energy: 1.0378086508023283
Energy: 1.0576589747553848
Energy: 0.9869650378441838
Energy: 0.9929899442006299
Energy: 0.9853802944580597
Energy: 1.0404602132573257
Energy: 0.9846065954712208
Energy: 0.9822704198804207
Energy: 0.968794084790846
Energy: 0.9886037014708735
Energy: 0.9809501642209353
Energy: 0.9834802335517469
Energy: 1.0440647352596255
Energy: 0.9689840871823349
Energy: 0.9819342896363347
Energy: 0.9662858561694605
Energy: 0.9854550100540659
Energy: 1.042949139968969

minimum gb energy = 0.9662858561694605 eV
minimum distance =  2.3163163163998 Angstroms
sigma value = 15


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

Energy: 0.9616028767744154
Energy: 1.059145105757877
Energy: 1.0734376424005285
Energy: 0.9986280067784641
Energy: 1.0653159804845302
Energy: 1.06830003542465
Energy: 1.1096810507394734
Energy: 1.0551071345489713
Energy: 0.9628631388178706
Energy: 1.0240086267484407
Energy: 0.9651676884550002
Energy: 1.0191055982018313
Energy: 0.9999629968276041
Energy: 1.000570997074812
Energy: 1.037574068769891
Energy: 0.9469280320702094
Energy: 1.0197950292419915
Energy: 0.9984891177340325
Energy: 1.0353583814724738
Energy: 1.0214788440064289
Energy: 1.0824686768249558
Energy: 0.983734822172278
Energy: 0.962138363004425
Energy: 1.0289474318140288
Energy: 0.9885072280947601
Energy: 1.0866205564006544
Energy: 1.0459532540855716
Energy: 0.9928472348942017
Energy: 1.0151086249923142
Energy: 1.0984358589985472
Energy: 1.0432895756968568
Energy: 0.966536831042969
Energy: 1.0195980654137147
Energy: 1.0946235693570405
Energy: 1.110539418465255
Energy: 1.0300873270641748
Energy: 0.9584174731611707
Energy: 1.0193455748230806
Energy: 1.083569099290934
Energy: 1.098957167544873
Energy: 1.115327803989245
Energy: 1.0493318443405548
Energy: 0.9569330386992324
Energy: 0.9625577851291398
Energy: 1.051507270258285
Energy: 1.0741928730190398
Energy: 1.0480836391200141
Energy: 0.9992612239451822
Energy: 0.9627416939815953
Energy: 0.9426714298831503
Energy: 0.9444674966681544
Energy: 0.9620467189086755
Energy: 0.9619205755804541
Energy: 1.056948231969684
Energy: 1.1783373613023176
Energy: 0.9669696386087325
Energy: 0.9617298329517945
Energy: 0.962072811393065
Energy: 1.1106161983158251
Energy: 1.1785888701116225
Energy: 0.9649564319319115
Energy: 0.9617983699343952
Energy: 0.9630640216126878
Energy: 0.9835169353163203
Energy: 1.0385203331117332
Energy: 0.9644958688939668
Energy: 0.9616105228405804
Energy: 0.9632119150477418
Energy: 0.9756591203108885
Energy: 1.085300421740758
Energy: 0.9673665603175801
Energy: 0.9653491121926587
Energy: 0.9700430206950073
Energy: 0.9575891334975791
Energy: 1.035456236599264
Energy: 0.9654288358153404
Energy: 0.9640701996083427
Energy: 1.0028786070007132
Energy: 1.0312321658668153
Energy: 1.0615989947821192
Energy: 0.9642518611522144
Energy: 1.1855677630930002
Energy: 0.9717015556031031
Energy: 1.024041328012125
Energy: 0.9627111743514357
Energy: 0.9648701783469601
Energy: 1.1813316596142827
Energy: 1.0233546418702695
Energy: 1.0493191147666006
Energy: 0.9728437116536787
Energy: 1.016702908415249
Energy: 0.9634552257491005
Energy: 0.9858828794314023
Energy: 0.9837351542695848
Energy: 0.9836509722929703
Energy: 0.9820052382089371
Energy: 0.961932951610673
Energy: 0.9863196300533493
Energy: 0.9849766311832945
Energy: 0.9840559483056083
Energy: 1.0222407053140554
Energy: 0.9611613267988784
Energy: 0.9771369112406513
Energy: 0.9809043149435561
Energy: 0.9822063051270621
Energy: 1.027574194174884
Energy: 0.9916375728861602
Energy: 0.9783867198583286
Energy: 0.9811264590567556
Energy: 0.9826352956486805
Energy: 1.128236001623607
Energy: 1.0455803902557044
Energy: 0.9769933831191414
Energy: 0.9469340735115902
Energy: 1.0595959322087374
Energy: 1.11934191796381
Energy: 1.048921756313913
Energy: 0.9467752458233334
Energy: 0.9469335562364405
Energy: 1.0723009901091083
Energy: 1.0243829867781862
Energy: 0.9741154148018941
Energy: 0.965754481989596
Energy: 1.067082112086375
Energy: 0.9641447160095047
Energy: 1.0254855163689978
Energy: 1.0529964434525074
Energy: 0.9645205951551111
Energy: 1.0675727113717715
Energy: 1.022698967561728
Energy: 1.000375779110773
Energy: 1.0543206149469364
Energy: 1.0767837214239395
Energy: 1.0464732158964807
Energy: 1.0040921939449812
Energy: 1.000026751941839
Energy: 1.0524930373142514
Energy: 0.9369805017029155
Energy: 1.0465693077397755
Energy: 1.0109177120155461
Energy: 0.9660692348807342
Energy: 1.0327092032115925
Energy: 1.1122388270268007
Energy: 1.0398067216753317
Energy: 1.0028318768290114
Energy: 0.9646376890146425
Energy: 0.9860130039277095
Energy: 1.1124497216631888
Energy: 0.9963991360610988
Energy: 1.0055831075477437
Energy: 1.1464013636398345
Energy: 1.116389145603974
Energy: 0.9837808695152331
Energy: 1.0243945043411595
Energy: 1.0038894865923582
Energy: 1.1263389526631944
Energy: 1.1163066205224597
Energy: 0.9837878464973284
Energy: 1.027215231521701
Energy: 0.9487815796426561
Energy: 0.9490660089195221
Energy: 0.9678659934853691
Energy: 1.0000365310494101
Energy: 1.1048010241664008
Energy: 1.0651877966253678
Energy: 0.9503528254728578
Energy: 0.9873791366536405
Energy: 1.1507349154110385
Energy: 1.1308936507541394
Energy: 1.0674841496413974
Energy: 1.0947023013189274
Energy: 1.1408346503467972
Energy: 1.1455291892051533
Energy: 0.9846904132755409
Energy: 0.9638717272341613
Energy: 1.090193064423706
Energy: 1.1399719548098823
Energy: 1.1448412857848005
Energy: 0.9811064449424569
Energy: 0.9631337567150411
Energy: 0.9640627094851137
Energy: 0.9788728827170552
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Energy: 0.9784584136458262
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Energy: 1.1832675450592398
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Energy: 0.9645530206811012
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Energy: 0.9994047130653798
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Energy: 0.9829136409012529
Energy: 0.9829736426847495
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Energy: 0.9761346598133398
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Energy: 0.9724421267660541
Energy: 0.9694716650324031
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Energy: 1.0028219524999855
Energy: 1.1145724663369811
Energy: 1.1159583577706416
Energy: 1.0882820682276204
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Energy: 1.0630937046754998
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Energy: 1.0440575901888027
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Energy: 0.997132026933911
Energy: 1.0212736138964127
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Energy: 0.9598649519916724
Energy: 1.0299857788186981
Energy: 0.9980654475687033
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Energy: 1.0252994033808474
Energy: 1.086999729130527
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Energy: 1.0161564820970355
Energy: 0.9617283550355671
Energy: 0.9674140933601547
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Energy: 1.0127639129715953
Energy: 1.030661623841586
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Energy: 0.978950522397317
Energy: 0.9806705861971777
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Energy: 1.0478813423269084
Energy: 1.0839766913484963
Energy: 1.0973092549181354
Energy: 0.9670385389506766
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Energy: 0.987477496179216
Energy: 1.1163664236593995
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Energy: 1.0974628010159142
Energy: 1.0391113359849518
Energy: 1.0272903011631702
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Energy: 1.053846994543691
Energy: 1.1029973458740152
Energy: 1.0242476542646075
Energy: 1.0255065348667827
Energy: 1.030176045750692
Energy: 1.011261059095506
Energy: 1.1438252176631842
Energy: 0.9626859972782673
Energy: 0.9623737751856809
Energy: 1.1085042467578405
Energy: 1.147929255039133
Energy: 1.0829581383067828
Energy: 0.9618841048527418
Energy: 0.9621711400652172
Energy: 1.1107527157533914
Energy: 1.1403495901896714
Energy: 0.9642092291229987
Energy: 0.9660167372276183
Energy: 0.9630376351133577
Energy: 0.9546098262816074
Energy: 1.069097221283089
Energy: 0.9631448451781719
Energy: 0.9654077766313448
Energy: 0.9619711899508593
Energy: 0.9900077533752891
Energy: 1.0353226847353916
Energy: 0.9664592317032206
Energy: 0.9648894376036424
Energy: 0.9676561677742141
Energy: 0.9572807620758641
Energy: 1.0805177753605966
Energy: 0.9644584320593819
Energy: 0.9636731887590528
Energy: 0.9687259622596087
Energy: 0.9576556431403701
Energy: 1.0292466537341647
Energy: 0.9828712160478954
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Energy: 1.0224885674861393
Energy: 1.0624725835648547
Energy: 1.088835769047314
Energy: 0.9946495735493087
Energy: 0.9796087230120756
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Energy: 1.0239781368236993
Energy: 1.0132034479301788
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Energy: 0.9440623618209429
Energy: 1.0080558912767137
Energy: 0.9480899527769143
Energy: 0.9839715718785773
Energy: 0.9790014428661381
Energy: 0.9436146680998408
Energy: 1.0154241212124195
Energy: 0.9481919641202375
Energy: 0.984391367308332
Energy: 1.023708094774531
Energy: 0.9859280148323176
Energy: 0.9770624752251884
Energy: 0.9829485533664458
Energy: 0.9822954767855719
Energy: 1.025680126933661
Energy: 0.9557301880041046
Energy: 0.977255039107523
Energy: 0.9840406109630495
Energy: 0.9824507958004125
Energy: 1.1281808730857805
Energy: 1.053024493716921
Energy: 0.9465891637699447
Energy: 0.9478554712816136
Energy: 1.0049657160039995
Energy: 1.1176905920817322
Energy: 1.0558407635915101
Energy: 0.9454806845251766
Energy: 0.9459832909718386
Energy: 1.0065832451293149
Energy: 1.0277550100637527
Energy: 0.9474400991349802
Energy: 0.9640126923609919
Energy: 0.9692342875856576
Energy: 1.025329942666259
Energy: 1.027184596116006
Energy: 0.9462154967191747
Energy: 0.9678373686346211
Energy: 0.9717284167964033
Energy: 1.0086831797832876
Energy: 0.9987905947174742
Energy: 1.0512786463061228
Energy: 1.0437740312585013
Energy: 0.9684744062606785
Energy: 1.00358086069048
Energy: 0.996840235326181
Energy: 1.0286107489717746
Energy: 0.9643156985838879
Energy: 0.9687168503407242
Energy: 1.0036007427210332
Energy: 0.9652258192212273
Energy: 1.0331682511705684
Energy: 1.112705202204387
Energy: 0.9968908559366589
Energy: 1.0104635805044393
Energy: 0.9660592942993688
Energy: 1.0337469871416607
Energy: 1.1128274870763106
Energy: 0.9947664680512602
Energy: 1.0528607266178711
Energy: 1.1245121237965645
Energy: 1.1136112484092417
Energy: 1.1247471314253237
Energy: 1.111651695054838
Energy: 1.0031512274785066
Energy: 1.0853727097447132
Energy: 1.1129119835205277
Energy: 0.9826077181916687
Energy: 1.1111926774279137
Energy: 0.9483059307604491
Energy: 0.9536194827009667
Energy: 1.0879323563990169
Energy: 1.007418289882061
Energy: 1.1320468769381193
Energy: 1.0245468738650365
Energy: 0.9525464468930701
Energy: 1.0869176158795406
Energy: 1.0077899107372135
Energy: 1.0738784649734432
Energy: 1.0303760491098815
Energy: 1.1116890153124088
Energy: 1.1418542040567283
Energy: 1.1411630256596446
Energy: 0.9506811361207267
Energy: 0.9638156639446662
Energy: 1.1101847256329078
Energy: 1.141730736130658
Energy: 1.14014496365771
Energy: 1.0240821050322828
Energy: 0.96252588872763
Energy: 0.9639033038224163
Energy: 0.9674954321379059
Energy: 0.9775567005480271
Energy: 0.9630952954539764
Energy: 0.9682543900423404
Energy: 0.965537398303003
Energy: 0.985196371675429
Energy: 0.9684922711274578
Energy: 0.9646830584643832
Energy: 0.9693961050880607
Energy: 0.9702781080135124
Energy: 1.0621008927336555
Energy: 1.0428265050845171
Energy: 0.961783784771164
Energy: 0.9630800328946406
Energy: 1.0155446071577294
Energy: 1.0630605183952198
Energy: 1.0177186965187532
Energy: 0.9616547371118375
Energy: 0.9633362723878379
Energy: 1.0491640799065622
Energy: 0.9584443215280624
Energy: 0.9832717855869517
Energy: 1.0283990279572746
Energy: 1.0135722732541024
Energy: 1.033702506350015
Energy: 0.9575404724107578
Energy: 0.971538705300852
Energy: 1.0417279432203537
Energy: 1.0310986866114287
Energy: 0.9651693898612861
Energy: 0.9642289131614694
Energy: 0.9805028095116837
Energy: 1.1773878507585378
Energy: 0.9650359313875689
Energy: 0.9472594394505809
Energy: 0.9467602088086122
Energy: 1.019749878553872
Energy: 1.1822504204621336
Energy: 0.9657031857417151
Energy: 0.9708951900335121
Energy: 0.9650510831149637
Energy: 0.9723790597620591
Energy: 0.9634901798938944
Energy: 0.9492454297866181
Energy: 0.9828279265618891
Energy: 0.9797945500893213
Energy: 0.9887023813434873
Energy: 0.965694501276202
Energy: 0.9753016265747229
Energy: 0.9656538672844147
Energy: 0.9507549854939199
Energy: 1.1169757218616476
Energy: 1.1150097018577547
Energy: 1.090347894919315
Energy: 0.9482375938976131
Energy: 1.0040839707757772
Energy: 1.1176906122464885
Energy: 1.0338353190358136
Energy: 1.0785276997871076
Energy: 0.9945115614691222
Energy: 1.0080732499506675
Energy: 1.0314939597181103
Energy: 0.982016834111002
Energy: 0.9385018712788668
Energy: 0.964730518804965
Energy: 1.0222667043334313
Energy: 1.0237270022914262
Energy: 1.0199809885048534
Energy: 0.9473836458389929

minimum gb energy = 0.9369805017029155 eV
minimum distance =  2.28693773461587 Angstroms
sigma value = 437


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

Energy: 1.3354768411396283
Energy: 0.9331482069940237
Energy: 1.0313755489524732
Energy: 0.978228570246338
Energy: 0.9022424340847239
Energy: 0.9681456658682065
Energy: 0.9358857728880358
Energy: 1.0336048504215904
Energy: 0.9923907852323685
Energy: 1.0863654996917784
Energy: 0.8839306818151973
Energy: 1.0154395372137057
Energy: 0.8819304929238948
Energy: 1.0711610703999705
Energy: 0.9169892727667368
Energy: 0.8830071779809766
Energy: 1.0150687827461116
Energy: 0.9088762389411313
Energy: 1.0143708267285263
Energy: 0.8943984201825793
Energy: 0.9795742105074429
Energy: 0.9928352893973511
Energy: 1.0125479476455965
Energy: 0.9201606656575465
Energy: 0.8878454616269785
Energy: 0.9793677975208073
Energy: 0.9943612404863258
Energy: 0.9199121706029388
Energy: 0.91821321091716
Energy: 0.9818741741820082
Energy: 0.9174752485304583
Energy: 0.9219194855827275
Energy: 0.91849315888541
Energy: 0.981130057861385
Energy: 0.9819210351420676
Energy: 0.9189532772292412
Energy: 0.9194158976527463
Energy: 1.012125334835787
Energy: 0.9811680319888283
Energy: 0.8881159939956514
Energy: 0.9003050484873936
Energy: 0.9386817065912387
Energy: 0.9162240201331164
Energy: 0.9276311513787243
Energy: 0.9189423245499507
Energy: 0.900102062631371
Energy: 0.9377265225853585
Energy: 0.9157438033834652
Energy: 0.9118091176393247
Energy: 0.8808112839628518
Energy: 0.9422088919492543
Energy: 0.9173571273338538
Energy: 0.8812829586081532
Energy: 0.9008242961850363
Energy: 0.9535428660206633
Energy: 0.9428611785763296
Energy: 0.9164256272614352
Energy: 0.8813250852667456
Energy: 0.9100621824809395
Energy: 0.9543278457012956
Energy: 0.9868433555040311
Energy: 0.9801825211558084
Energy: 0.9790222555313245
Energy: 0.9160127892854295
Energy: 0.9199787942389145
Energy: 0.9864708024935649
Energy: 0.9789172590359804
Energy: 0.9785748393718222
Energy: 0.9161487405089372
Energy: 0.9202717479072522
Energy: 0.9923021036587457
Energy: 0.9783680799849005
Energy: 0.9161161024264856
Energy: 0.9072046996898641
Energy: 1.0147513281902836
Energy: 0.9927563027578765
Energy: 0.8811248637118116
Energy: 0.9171282634681579
Energy: 0.9113058243068439
Energy: 1.0199688932235507
Energy: 0.9170280463838213
Energy: 1.0110399653999942
Energy: 0.933145988596866
Energy: 0.9214342105348746
Energy: 0.9170928374314434
Energy: 0.9154462969430215
Energy: 1.0114786452770683
Energy: 0.9319946916021125
Energy: 0.9199377611222083
Energy: 0.9159808664961447
Energy: 0.8862487739429343
Energy: 0.9153838952837109
Energy: 0.8876415707290469
Energy: 0.8868143162088673
Energy: 0.9468051609032961
Energy: 0.9098161019465164
Energy: 0.9153734626701041
Energy: 0.8881696272900492
Energy: 0.8911168172319777
Energy: 0.9447596573861248
Energy: 0.8842359480387164
Energy: 0.8822664819780544
Energy: 0.9386320139452273
Energy: 0.953693192729119
Energy: 0.8831889965661027
Energy: 0.8839699471380312
Energy: 0.8822290168928624
Energy: 0.9346130445829317
Energy: 0.9540269485801243
Energy: 0.9214463590257688
Energy: 0.8890626652448937
Energy: 0.8881610117233618
Energy: 0.887755864371363
Energy: 0.9886360077199083
Energy: 0.8853227185213192
Energy: 0.8848445075177191
Energy: 0.8816650762942146
Energy: 0.8891913744669083
Energy: 0.9885054418925073
Energy: 0.8846719388313429
Energy: 0.8837641637139394
Energy: 0.8856945693483015
Energy: 1.0133994845435703
Energy: 1.013770223003206
Energy: 0.8849061402164744
Energy: 0.884162344374028
Energy: 0.8857709372590399
Energy: 1.0150657297154273
Energy: 1.0122538311373697
Energy: 0.8834670965402741
Energy: 1.0272226771214965
Energy: 0.8907523928537867
Energy: 1.0631310191357874
Energy: 0.8852119825564352
Energy: 0.891402609861368
Energy: 1.0810673157211326
Energy: 0.9386524602432771
Energy: 1.1190214365962168
Energy: 0.8867342769533259
Energy: 0.940649908420578

minimum gb energy = 0.8808112839628518 eV
minimum distance =  2.34307487179109 Angstroms
sigma value = 33