Model name: model_name=MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999997019768
cohesive_energy=3.3532637301406303
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.76184955734444e-19, 2.4127177931406e-19, 2.8940917628258996e-19, 3.2773163919123595e-19, 3.5938904730244197e-19, 3.85265802118176e-19, 4.0749600291492596e-19, 4.2722841033926997e-19, 4.443749046763379e-19, 4.5932801920146e-19, 4.723825544152919e-19, 4.837772346363e-19, 4.936995145306619e-19, 5.023080095851439e-19, 5.097324961071e-19, 5.16080319931008e-19, 5.21447611654908e-19, 5.259160822871339e-19, 5.29553023246314e-19, 5.324209194211739e-19, 5.345758469939039e-19, 5.3606426908689e-19, 5.369294444692499e-19, 5.372098253802e-19, 5.36910218349642e-19, 5.359473101926079e-19, 5.34207346368084e-19, 5.315637549219839e-19, 5.2786112472081e-19, 5.22915205451652e-19, 5.1650810109228595e-19, 5.0837865685137e-19, 4.982096417553719e-19, 4.85618135588766e-19, 4.701363027744239e-19, 4.51190564077374e-19, 4.2806955307212e-19, 3.9988245955015797e-19, 3.6551256639759e-19, 3.23533936410156e-19, 2.72115281695194e-19, 2.0886615471477596e-19, 1.3063074815291218e-19, 3.31764317779014e-20, -8.92862596772154e-20, -2.44907118096606e-19, -4.45659850336806e-19, -7.09754635802196e-19, -1.0660258473748738e-18, -1.562397792531048e-18, -2.28377461763628e-18, -3.3946277650538395e-18, -5.25927297523572e-18, -8.868608431011899e-18]
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: 0.010304355294645118
Energy: 0.8497408968967587
Energy: 2.9768613845353613
Energy: 0.8817667509642613
Energy: 0.863582435873636
Energy: 0.7199274495837104
Energy: 0.8571216079855055
Energy: 0.7199274495544213
Energy: 2.976861451496276
Energy: 0.9868052332809959
Energy: 0.010304355294645118
Energy: 0.8627299261883029
Energy: 0.8487248170051774
Energy: 0.7199274495548933
Energy: 0.8721137010845149
Energy: 0.7199274495837104

minimum gb energy = 0.010304355294645118 eV
minimum distance =  2.6041924360508 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.711108593562324
Energy: 0.9285699335115747
Energy: 0.7318519516345962
Energy: 0.9285699547180962
Energy: 0.7475277404227542
Energy: 0.8531147751439717
Energy: 0.7590825247582386
Energy: 0.8422317757820781
Energy: 0.6876809089588612
Energy: 0.9438500904833741
Energy: 0.7546323350305353
Energy: 0.9432364806008987
Energy: 0.7515140956089126
Energy: 0.7868241947045771
Energy: 0.7658986274543691
Energy: 0.8278846753893035
Energy: 0.7158307362935402
Energy: 0.7114417664847354
Energy: 0.6696636496023587
Energy: 0.7115648678331907
Energy: 0.7305888591900237
Energy: 0.7280798406410393
Energy: 0.6964303140930601
Energy: 0.7257155183384837
Energy: 0.6252883788731423
Energy: 0.6772690035213275
Energy: 0.7378349241152201
Energy: 0.6772690356427843
Energy: 0.7181459159547339
Energy: 0.6693236386053629
Energy: 0.6944945016657222
Energy: 0.6712101228450179
Energy: 0.7857446584646489
Energy: 0.6522219673509605
Energy: 0.6269626121928784
Energy: 0.6522219673479304
Energy: 0.7014331367010115
Energy: 0.8627821580363063
Energy: 0.7458196012319759
Energy: 0.8627821580169129
Energy: 0.7243242935228664
Energy: 0.653090524192343
Energy: 0.6263673757916426
Energy: 0.6531159795250968
Energy: 0.7322118654019864
Energy: 0.6967712493490581
Energy: 0.6916130100218093
Energy: 0.6967716969413681
Energy: 0.6295808891002699
Energy: 0.6587915785762918
Energy: 0.7343586891886137
Energy: 0.666282636103053
Energy: 0.7379977776372859
Energy: 0.9888152847735734
Energy: 0.7021920940228448
Energy: 0.9888152847741795
Energy: 0.7116903906184838
Energy: 0.7328921046042882
Energy: 0.6247558513544509
Energy: 0.7164445605580461
Energy: 0.7201039681928784
Energy: 0.8515206479924993
Energy: 0.7056200801380256
Energy: 0.8518362899078483
Energy: 0.7402699197746095
Energy: 0.8882427437781285
Energy: 0.7696015460063024
Energy: 0.8858652804052716
Energy: 0.7373427948982098
Energy: 0.8633334061490797
Energy: 0.7720488857809682
Energy: 0.8750738964785121
Energy: 0.7504175369782838
Energy: 0.8080758937215424
Energy: 0.6877052408408048
Energy: 0.7765893096396781
Energy: 0.7499475202711882
Energy: 0.8894112380073411
Energy: 0.7089729995102034
Energy: 0.8894112291363048
Energy: 0.6695295521949287
Energy: 0.7136332227936634
Energy: 0.6906125029709473
Energy: 0.7229797074623607
Energy: 0.7257386691157186
Energy: 0.7188216980663722
Energy: 0.760808897017228
Energy: 0.7535702189940261
Energy: 0.6816578034194238
Energy: 0.6778096648918865
Energy: 0.6103724200928476
Energy: 0.6778096725665278
Energy: 0.6999968649881689
Energy: 0.6964126682893483
Energy: 0.7487882143956351
Energy: 0.6901640343388694
Energy: 0.6352866088279433
Energy: 0.6600897985232219
Energy: 0.6401466691791639
Energy: 0.6600898024129245
Energy: 0.6787040207405034
Energy: 0.6859859260234827
Energy: 0.6704105549152725
Energy: 0.6859859257266566
Energy: 0.6540192370050966
Energy: 0.6664786007320567
Energy: 0.6569869438080488
Energy: 0.6664776513943782
Energy: 0.6870233949125363
Energy: 0.6697360223753599
Energy: 0.7146168512869235
Energy: 0.6697367820525564
Energy: 0.7557107203712443
Energy: 0.7186833948795495
Energy: 0.6391536600636046
Energy: 0.7007217928630356
Energy: 0.7144301314342623
Energy: 0.6868444475746373
Energy: 0.7239968243022142
Energy: 0.6843722192649877
Energy: 0.6227416822555392
Energy: 0.8580519985958863
Energy: 0.7365776754735684
Energy: 0.8580519986013408
Energy: 0.6972225577783014
Energy: 0.782934308516025
Energy: 0.7311134693569071
Energy: 0.7953317563633677
Energy: 0.797014655167516
Energy: 0.8969805574671964
Energy: 0.7381406338211624
Energy: 0.9002087482732377

minimum gb energy = 0.6103724200928476 eV
minimum distance =  1.81266784217323 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.1961447945860728
Energy: 1.136139876996954
Energy: 0.7848372240469474
Energy: 1.1360330766239635
Energy: 0.7719451801270524
Energy: 0.8696240084680038
Energy: 0.7718495235626731
Energy: 0.9251336709736331
Energy: 0.7277000397763115
Energy: 0.9722546364256055
Energy: 0.7766519678970225
Energy: 0.9355152466336161
Energy: 0.7782557221366245
Energy: 0.8124394258199752
Energy: 0.7442976991273852
Energy: 0.8025532086372185
Energy: 0.8071231774343621
Energy: 0.900196298888941
Energy: 0.7031915251328351
Energy: 0.9001963082941338
Energy: 0.7653865179934406
Energy: 0.7883994738092499
Energy: 0.7471490223740005
Energy: 0.7883994672027711
Energy: 0.7088397194915808
Energy: 0.6972368450256928
Energy: 0.6632973253360589
Energy: 0.6972360814693703
Energy: 0.7197243642913048
Energy: 0.7070062068258962
Energy: 0.7464776146340781
Energy: 0.7021258763862226
Energy: 0.6673038283091651
Energy: 0.6901093424700416
Energy: 0.6607877825887902
Energy: 0.6901093425211443
Energy: 0.739946862157466
Energy: 0.6898251158490868
Energy: 0.7255624329562378
Energy: 0.6898251158490868
Energy: 0.7038770658839315
Energy: 0.7607642430299646
Energy: 0.686933910524612
Energy: 0.7607636940103873
Energy: 0.7367923822172466
Energy: 0.7269192314477467
Energy: 0.7582158005442352
Energy: 0.7252120484779524
Energy: 0.6453168534074083
Energy: 0.8292573313110521
Energy: 0.70687250866096
Energy: 0.8292588398647416
Energy: 0.7593635556662086
Energy: 0.9434809920792315
Energy: 0.7906937974682354
Energy: 0.9434809880234912
Energy: 0.7954100367083449
Energy: 0.9034883526825945
Energy: 0.7859239594622507
Energy: 0.9035928804827903
Energy: 0.837285916915442
Energy: 0.9187329867691434
Energy: 0.762984482439596
Energy: 0.9187329873859252
Energy: 0.7361963934539881
Energy: 0.8851810745362919
Energy: 0.7538272031687065
Energy: 0.8851805403231539
Energy: 0.7970163595442087
Energy: 0.8181093647943626
Energy: 0.7862900545851231
Energy: 0.8416709510515847
Energy: 0.7512983094919365
Energy: 0.8832036430546125
Energy: 0.7446686949443059
Energy: 0.8832036659994812
Energy: 0.77577581478273
Energy: 0.7858684935333096
Energy: 0.7039556726504534
Energy: 0.7838847302744496
Energy: 0.6514293651303111
Energy: 0.706973424663635
Energy: 0.6739242296820505
Energy: 0.7069734215085526
Energy: 0.684385612551619
Energy: 0.7276117763019662
Energy: 0.7168653038304339
Energy: 0.7276117640365916
Energy: 0.66851306077219
Energy: 0.693632486378219
Energy: 0.6455614410523173
Energy: 0.6939034831399533
Energy: 0.7096311098789806
Energy: 0.747502948266854
Energy: 0.7433585542954373
Energy: 0.7475029482786011
Energy: 0.7249685938267706
Energy: 0.6964539969686663
Energy: 0.6669426709565086
Energy: 0.6956049453800384
Energy: 0.7460431078788394
Energy: 0.7151563525158746
Energy: 0.6967997603760419
Energy: 0.7192492069255413
Energy: 0.6626545081189489
Energy: 0.8290561838000904
Energy: 0.713103386182858
Energy: 0.8268154306435654
Energy: 0.7200927426099927
Energy: 0.9984518990675064
Energy: 0.8265772655378122
Energy: 0.9984519324418838
Energy: 0.791648179277202
Energy: 0.8376393148936694
Energy: 0.7374643419606486
Energy: 0.8376458312811278

minimum gb energy = 0.6453168534074083 eV
minimum distance =  1.84069541598493 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.0789986888187455
Energy: 0.9233099163705828
Energy: 0.7609154222540792
Energy: 0.923314515981542
Energy: 0.7935860274329517
Energy: 1.1360067739308455
Energy: 0.7958212201541421
Energy: 1.136006773896323
Energy: 0.76240867651945
Energy: 0.8624864124926682
Energy: 1.0086087826644186
Energy: 0.8900663293193557
Energy: 0.7859945389902634
Energy: 0.8583412092497033
Energy: 0.8061286096814861
Energy: 0.8473591336889671
Energy: 0.7269727381475555
Energy: 0.7725429937838164
Energy: 0.6833461766411628
Energy: 0.7725439102471944
Energy: 0.8060490441654571
Energy: 0.9331142142512034
Energy: 0.7768761241032086
Energy: 0.9331142142359595
Energy: 0.6832114558840747
Energy: 0.7341346036495453
Energy: 0.6805007232260009
Energy: 0.7341346034062629
Energy: 0.7250776479806801
Energy: 0.8657649219341966
Energy: 0.7924880495791758
Energy: 0.8657649219317868
Energy: 0.7148701866481564
Energy: 0.728543458558552
Energy: 0.6793653210896853
Energy: 0.7260871612066491
Energy: 0.7940350503252027
Energy: 0.7506315645572278
Energy: 0.7217186202719341
Energy: 0.7572840607130217
Energy: 0.7993490245447825
Energy: 0.8612315832972587
Energy: 0.6824701100023614
Energy: 0.8656196471571814
Energy: 0.6725244674725359
Energy: 0.8294901941545452
Energy: 0.7604875086566322
Energy: 0.844249714070883
Energy: 0.7591488033199362
Energy: 0.9103910427851789
Energy: 0.8193286439128525
Energy: 0.9103910890122902
Energy: 0.7672668529319124
Energy: 0.9592372699696398
Energy: 0.8382032290068228
Energy: 0.9592372708921989
Energy: 0.7447030939767856
Energy: 0.89150256450141
Energy: 0.7723146450530243
Energy: 0.8800292269676081
Energy: 0.8025247822751993
Energy: 0.8474728034743052
Energy: 0.8180971791891107
Energy: 0.8716742499466157
Energy: 0.6875812971308888
Energy: 0.7743619161744856
Energy: 0.7329717938148427
Energy: 0.774335529648124
Energy: 0.7180108080412394
Energy: 0.8376987569395205
Energy: 0.798417378556478
Energy: 0.83769878014862
Energy: 0.7801059167659342
Energy: 0.734688952338987
Energy: 0.6843845440298121
Energy: 0.7346890014188682
Energy: 0.7504685089911898
Energy: 0.7820714703633489
Energy: 0.6973416471765524
Energy: 0.782071470360939
Energy: 0.6987983030576368
Energy: 0.7448339224245476
Energy: 0.6708865065772116
Energy: 0.7448339116036367
Energy: 0.710768369721167
Energy: 0.7478155703113665
Energy: 0.7658216022496945
Energy: 0.74781542642391
Energy: 0.7057399344428942
Energy: 1.026675497009264
Energy: 0.7952463967837965
Energy: 1.0266751765379742
Energy: 0.770596736128921
Energy: 0.8189818999867219
Energy: 0.8254930029827132
Energy: 0.8121171533374407
Energy: 0.7950469048875902
Energy: 0.9166773487750566
Energy: 0.7647091174701657
Energy: 0.9166773464779144

minimum gb energy = 0.6708865065772116 eV
minimum distance =  1.83876772481539 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.9258841950095814
Energy: 0.9724508543309144
Energy: 0.8034202609709578
Energy: 0.9724508487420261
Energy: 0.8106040928778363
Energy: 0.9842306522549933
Energy: 0.8846634093384628
Energy: 0.9434040566645009
Energy: 0.806668958620203
Energy: 0.896863862278742
Energy: 0.8731605491673686
Energy: 0.9254525270643704
Energy: 0.759344926614803
Energy: 0.8970547771856389
Energy: 0.8825484242236074
Energy: 0.8892660407790952
Energy: 0.7401847649134365
Energy: 0.8101139800021063
Energy: 0.7482504641060994
Energy: 0.8101139796333555
Energy: 0.868814249554503
Energy: 0.805240083565582
Energy: 0.7929777194693103
Energy: 0.8052400929694692
Energy: 0.684810811349302
Energy: 0.7524575835647972
Energy: 0.7324834288004243
Energy: 0.7524575799854182
Energy: 0.7573185310119934
Energy: 0.7789131996670441
Energy: 0.8567638552255615
Energy: 0.7781524722453339
Energy: 0.715503457298199
Energy: 0.900514303767832
Energy: 0.7521537274990692
Energy: 0.9148133146494173
Energy: 0.8166613864820067
Energy: 0.8734438639940127
Energy: 0.7894037388539776
Energy: 0.8854113071987533
Energy: 0.7914298093747951
Energy: 1.0035379862709966
Energy: 0.8019649751123944
Energy: 1.0035379862671634
Energy: 0.690755660145506
Energy: 1.0543934054785054
Energy: 0.7582915648082759
Energy: 1.067023738604874
Energy: 0.8120514007133839
Energy: 0.9206931892501782
Energy: 0.8894004890181407
Energy: 0.923188854085166
Energy: 0.8233006148006872
Energy: 0.9013475850500402
Energy: 0.8229098712946118
Energy: 0.9014967509554628
Energy: 0.7453646672344854
Energy: 0.8190275467968577
Energy: 0.7203083930362995
Energy: 0.8190275467968577
Energy: 0.8336677648103388
Energy: 0.8432609542778833
Energy: 0.7584998770211222
Energy: 0.8417283145847322
Energy: 0.7094424702852973
Energy: 0.7606165403973083
Energy: 0.7334090119729754
Energy: 0.7606165263891752
Energy: 0.6974625289416748
Energy: 0.786802294855876
Energy: 0.7852739392024314
Energy: 0.7868775218506473
Energy: 0.7308523539868931
Energy: 0.9558124412550302
Energy: 0.7874092289284567
Energy: 0.95580450205539
Energy: 0.7658207049725266
Energy: 0.8422241790513125
Energy: 0.8064140023046786
Energy: 0.8422248776566403
Energy: 0.8067093180081125
Energy: 0.9300772204362527
Energy: 0.8034202540018454
Energy: 0.9323418712171432

minimum gb energy = 0.684810811349302 eV
minimum distance =  1.86002617844285 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7981412130192579
Energy: 1.0133997248239723
Energy: 0.8340816170796196
Energy: 1.0133994556971042
Energy: 1.0005157248978551
Energy: 1.0273897371913527
Energy: 0.7841803715146264
Energy: 1.027386238962708
Energy: 0.8817524755909115
Energy: 0.9509753394949072
Energy: 0.8348332478129071
Energy: 0.9626436127079822
Energy: 0.8933764553886112
Energy: 0.9785100289441329
Energy: 0.8261194356323682
Energy: 0.9785100293907112
Energy: 0.7619962905516506
Energy: 0.7953331015353534
Energy: 0.77011313729823
Energy: 0.7953331041744779
Energy: 0.9557916496885488
Energy: 0.7754174247313184
Energy: 0.8304327694937262
Energy: 0.7754173852283475
Energy: 0.7143962258357747
Energy: 0.8699722605343905
Energy: 0.7777410240676094
Energy: 0.8699723042222866
Energy: 0.7306873542795792
Energy: 0.8551016401124429
Energy: 1.017297461604368
Energy: 0.8516221673370963
Energy: 0.8324692514101992
Energy: 0.9833190969114091
Energy: 0.8405909113742955
Energy: 0.9833190939950885
Energy: 0.8328237756988239
Energy: 1.1380118115491198
Energy: 0.8967566005759535
Energy: 1.1366038410299086
Energy: 0.9444108065687917
Energy: 0.954406827128161
Energy: 0.8676156553233322
Energy: 0.9548632443432943
Energy: 0.8660024404697346
Energy: 0.9854742513409742
Energy: 0.8391022640887941
Energy: 0.9854726471174369
Energy: 0.79358357514987
Energy: 0.8123242402786089
Energy: 0.7585014777395968
Energy: 0.8123242403117636
Energy: 0.7497737163749557
Energy: 0.846912894684387
Energy: 0.850293842162509
Energy: 0.8368728527589987
Energy: 0.7803798591298279
Energy: 0.8648100228583769
Energy: 0.7181950513545814
Energy: 0.8648100468333154
Energy: 0.7902522050428121
Energy: 0.8906411610282833
Energy: 0.7174424238610168
Energy: 0.8906403573256952
Energy: 0.8998141064920532
Energy: 0.9322448310992386
Energy: 0.8344314159904697
Energy: 0.9245535167565944

minimum gb energy = 0.7143962258357747 eV
minimum distance =  1.85834096475271 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.0026397566414722
Energy: 1.0297766496317373
Energy: 0.8984700218312494
Energy: 1.0297766471569256
Energy: 1.1389006264755284
Energy: 0.9266563652066113
Energy: 0.9961841373237064
Energy: 0.9266564212008044
Energy: 0.8316610405551654
Energy: 0.8950919658390318
Energy: 0.8623711265053776
Energy: 0.8950933646538332
Energy: 0.8080439952201128
Energy: 0.9136485365672181
Energy: 0.8882169605915247
Energy: 0.9136485365672181
Energy: 0.7719590628166078
Energy: 0.7702338472186926
Energy: 0.7531839041367377
Energy: 0.7702338472267466
Energy: 0.912972084245491
Energy: 0.8489121617563137
Energy: 0.8219770238646038
Energy: 0.8489121617858448
Energy: 0.7878950714656007
Energy: 0.9084469636947924
Energy: 0.8329540458324081
Energy: 0.9084469610730577
Energy: 0.9184877629417652
Energy: 1.0046269225094968
Energy: 0.8094271857623568
Energy: 1.0046269215481511
Energy: 0.9322315601672913
Energy: 0.9990258512877028
Energy: 0.846836481314313
Energy: 0.9990258579158369
Energy: 0.8209858670428878
Energy: 1.1035821355905902
Energy: 0.9626088904133029
Energy: 1.1035820009143353
Energy: 0.7687787689150966
Energy: 0.784073107362733
Energy: 0.7901345193230672
Energy: 0.7840731072762144
Energy: 0.8472541423211808
Energy: 0.8974475512585652
Energy: 0.7823812382886428
Energy: 0.8974475512612499
Energy: 0.783326525464708
Energy: 0.8543662456029372
Energy: 0.7718478738244533
Energy: 0.8543662507692538
Energy: 0.7781427463021039
Energy: 0.8293824216256329
Energy: 0.8273188007359079
Energy: 0.8502950920409404
Energy: 0.8983600245265093
Energy: 1.022248223739708
Energy: 0.8983594977867213
Energy: 1.0222617722931429
Energy: 0.9022007903763181
Energy: 1.005237701908746
Energy: 0.9175742024837297
Energy: 1.0052323986040705
Energy: 0.9981628428634349
Energy: 0.928234972119016
Energy: 0.8559502754206411
Energy: 0.9067219011688396
Energy: 0.8418336226252466
Energy: 0.933368017795119
Energy: 0.9134210282083923
Energy: 0.9333406795997912
Energy: 0.8085837614451457
Energy: 0.7794596499267119
Energy: 0.8192451645471677
Energy: 0.7794445292733958
Energy: 0.7265188153667446
Energy: 0.7504959781821726
Energy: 0.7774161176852388
Energy: 0.7505080520094156
Energy: 0.8239235630024284
Energy: 0.8879229147694079
Energy: 0.9222596398831068
Energy: 0.8879227431963964
Energy: 0.8631693546456751
Energy: 0.8987430585908864
Energy: 0.7874060712169575
Energy: 0.8870849652902545
Energy: 1.002994286132832
Energy: 1.0683197542538574
Energy: 0.7719016347712494
Energy: 1.0386588464039948
Energy: 0.8743279928699392
Energy: 0.9978926443073222
Energy: 0.936068836406545
Energy: 0.9978926311060895
Energy: 0.9196185496660576
Energy: 0.8831349912601705
Energy: 0.8744825648982278
Energy: 0.883134991258157
Energy: 0.7701292443089467
Energy: 0.8097526964599105
Energy: 0.7538576823975681
Energy: 0.809752696575289
Energy: 0.8108835157913922
Energy: 0.8345558357302625
Energy: 0.9837717200216554
Energy: 0.8345558357302625
Energy: 0.7760257523910171
Energy: 0.8321747307450506
Energy: 0.7928986378837827
Energy: 0.8321747308711677
Energy: 0.9338800303632125
Energy: 0.8804165392521848
Energy: 0.811587927817915
Energy: 0.8778016733985157
Energy: 0.9182192001486168
Energy: 1.06094487908053
Energy: 0.8982406543327655
Energy: 1.0609448790785163

minimum gb energy = 0.7265188153667446 eV
minimum distance =  1.8424308967161 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.267074806894232
Energy: 0.986924227837949
Energy: 0.8624173657444836
Energy: 0.986924227837949
Energy: 0.8685114975385482
Energy: 0.8811079778950021
Energy: 0.7883374751610479
Energy: 0.8995955344618197
Energy: 0.9702291023488643
Energy: 0.9878568307842133
Energy: 0.9835456071769533
Energy: 0.9878568292320632
Energy: 0.8521552067858018
Energy: 0.8891120037983538
Energy: 0.7892179009851156
Energy: 0.8891120037983538
Energy: 0.9147970583904603
Energy: 0.7633870254221915
Energy: 0.7865574205892372
Energy: 0.7633870254113756
Energy: 0.9530489285882294
Energy: 0.8606881723140676
Energy: 0.8283601609867014
Energy: 0.8606881723171578
Energy: 0.8893667618805958
Energy: 0.7138048671678663
Energy: 0.7402210899760985
Energy: 0.7138048682180961
Energy: 0.8518447779204212
Energy: 0.7476352274129483
Energy: 0.7460942108575416
Energy: 0.7469555005041812
Energy: 0.9020080503580351
Energy: 0.945213533186728
Energy: 0.854541042329544
Energy: 0.9452135331882731
Energy: 0.9009728416118564
Energy: 0.9280139947161596
Energy: 0.8422631005985746
Energy: 0.9288262575816756
Energy: 0.891374123841479
Energy: 0.8200831758344376
Energy: 0.7964392058439118
Energy: 0.8200742287128497
Energy: 0.982002873410647
Energy: 0.9169338944094447
Energy: 0.7825758716788876
Energy: 0.9169338944943916
Energy: 0.9722915008914151
Energy: 0.8863436759744439
Energy: 0.7838534077760393
Energy: 0.8863038439320466

minimum gb energy = 0.7138048671678663 eV
minimum distance =  1.84767159006605 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.9821208640216419
Energy: 0.9154538861041969
Energy: 0.9056655688197001
Energy: 0.9154537047492886
Energy: 0.8244013870268034
Energy: 0.9256904492840753
Energy: 0.9486520314088429
Energy: 0.9256903012782571
Energy: 0.7732000461987147
Energy: 0.7788102108588827
Energy: 0.8721203085003707
Energy: 0.778820999194135
Energy: 0.755876070559164
Energy: 0.8313993060905069
Energy: 0.9866537633202161
Energy: 0.8313993060659162
Energy: 0.7755931315805817
Energy: 0.784647939712939
Energy: 0.9312070668400729
Energy: 0.7846479336057076
Energy: 0.7765720108509643
Energy: 0.8023129208098321
Energy: 0.9393603410335771
Energy: 0.8023129197980515
Energy: 0.9923684024055897
Energy: 0.9158215138732368
Energy: 0.9127002821353694
Energy: 0.9095470914717313
Energy: 0.9568689119903409
Energy: 0.9545631590684962
Energy: 0.9285184300692216
Energy: 0.9545635625252826
Energy: 0.8212282848121644
Energy: 0.7922314311267679
Energy: 0.7863532294985092
Energy: 0.7922307799490755
Energy: 0.7471289848892106
Energy: 0.7975595991435183
Energy: 0.8648485209727159
Energy: 0.8611444899967869
Energy: 0.8521898622480103
Energy: 0.9155221841486698
Energy: 0.9945494831957368
Energy: 0.9155221841486698
Energy: 0.8225791603143322
Energy: 0.8116161777840772
Energy: 0.9253841133711136
Energy: 0.811616177733778
Energy: 0.9662183085692193
Energy: 0.845895575921973
Energy: 0.8342749074191854
Energy: 0.8458955742025204
Energy: 1.0075710192498097
Energy: 0.8224783628063639
Energy: 0.8216994518917978
Energy: 0.8224783641885388
Energy: 0.8872741528265758
Energy: 0.8386317809546676
Energy: 0.8060101862315194
Energy: 0.8386327615690942
Energy: 0.847218204089919
Energy: 0.7967486062464632
Energy: 0.7981475557265357
Energy: 0.7967486067883427
Energy: 0.9390659998560227
Energy: 0.8742945775942178
Energy: 0.8268482404423064
Energy: 0.8742947683854619
Energy: 0.9063694530612649
Energy: 0.9270518100314246
Energy: 0.9650537912919157
Energy: 0.9270518088504466
Energy: 0.966051703836407
Energy: 0.9346931889985757
Energy: 0.8696666477125043
Energy: 0.9346931891769233
Energy: 0.914757019299589
Energy: 0.7576788629248175
Energy: 0.8004009559523232
Energy: 0.764882721546988
Energy: 1.0063779405266864
Energy: 0.9151933499945382
Energy: 0.7560017904435276
Energy: 0.915193350083725
Energy: 0.8913608254716265
Energy: 0.7948562389358964
Energy: 0.7759152557976756
Energy: 0.7948562319838207
Energy: 0.9397728418559202
Energy: 0.7920122058628016
Energy: 0.7751312548947723
Energy: 0.7920122787036176
Energy: 0.9098935917866559
Energy: 0.9115567271292552
Energy: 0.9903997114753726
Energy: 0.9120470804855396
Energy: 0.991894692832658
Energy: 0.974613847204391
Energy: 1.0073854844689636
Energy: 0.9746138454140778
Energy: 0.8014597175281138
Energy: 0.8209581089446043
Energy: 1.217290781267722
Energy: 0.8140622424721923
Energy: 0.8315468975428914
Energy: 0.8129133243487779
Energy: 0.7383316387964648
Energy: 0.814699236813845
Energy: 1.0117502882645841
Energy: 0.9604633923808447
Energy: 0.8085546183425419
Energy: 0.9604633923808447
Energy: 0.9203763566139934
Energy: 0.8007581725396968
Energy: 0.814915956256131
Energy: 0.8007581802697595
Energy: 0.9045988684906686
Energy: 0.8488356784041835
Energy: 0.9303255670098469
Energy: 0.8488555900277871
Energy: 0.8388577871203927
Energy: 0.8170955012494464
Energy: 0.8812871250922552
Energy: 0.8170955002291137
Energy: 0.8014487803195058
Energy: 0.84691920431376
Energy: 0.9752863738895412
Energy: 0.8469192045955656
Energy: 0.7679492407668174
Energy: 0.8090207120892124
Energy: 0.825530184064961
Energy: 0.8090207226299468
Energy: 0.8323345273241354
Energy: 0.8390599432210517
Energy: 0.820911436549491
Energy: 0.8369238622407373
Energy: 1.0073137500453573
Energy: 0.9292607365427387
Energy: 0.9102294804093849
Energy: 0.9292607365427387

minimum gb energy = 0.7383316387964648 eV
minimum distance =  1.85393640969255 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.0679755062200766
Energy: 0.8403775083492997
Energy: 0.8694696829225983
Energy: 0.8403775083411338
Energy: 0.9509331672492661
Energy: 0.896278311814896
Energy: 1.0228110251402096
Energy: 0.8962783127952864
Energy: 0.7834830600222502
Energy: 0.7787378355953825
Energy: 0.8690836422115573
Energy: 0.7787378409553294
Energy: 0.7977309683674377
Energy: 0.81359637421
Energy: 1.007793700554709
Energy: 0.8135963707999663
Energy: 0.767040569915569
Energy: 0.7940237142021926
Energy: 0.9408852312373791
Energy: 0.7921622042649931
Energy: 0.8132426946593637
Energy: 0.798025768513883
Energy: 0.9345491871662999
Energy: 0.7980257586501369
Energy: 0.9897573745925211
Energy: 0.8946768590690147
Energy: 0.9602107687645866
Energy: 0.894676859059034
Energy: 1.0092508565831029
Energy: 0.9706606663054013
Energy: 0.8999872779415418
Energy: 0.9706606660460081
Energy: 0.8019169857990494
Energy: 0.8389572300928082
Energy: 0.8824980734669321
Energy: 0.8389572297790167
Energy: 0.7826832135832458
Energy: 0.8280309381477876
Energy: 0.8223833639429261
Energy: 0.8280309381323836
Energy: 0.8348417753829497
Energy: 0.7810847417019614
Energy: 0.9762618701904718
Energy: 0.7810743429048431
Energy: 0.7844529951872217
Energy: 0.7316750727858006
Energy: 0.8854914693231903
Energy: 0.7316750827855636
Energy: 0.8522528096508116
Energy: 0.770086354178256
Energy: 0.8287272307434006
Energy: 0.7700863579311159
Energy: 0.8557910339997058
Energy: 0.7632159039311915
Energy: 0.8299078317276081
Energy: 0.7632070062712538
Energy: 0.8680089056756544
Energy: 0.8477844327324534
Energy: 0.7863346741031383
Energy: 0.8477844327342681
Energy: 0.9032469439624825
Energy: 0.8363776280682667
Energy: 0.8284908694097652
Energy: 0.8363776280863926
Energy: 0.9187348093514541
Energy: 0.8799395451795119
Energy: 0.9363175488756231
Energy: 0.8811642144482851
Energy: 0.8747686287486012
Energy: 0.8365185656345803
Energy: 1.0720778987209185
Energy: 0.836519466680934
Energy: 0.9061786079166896
Energy: 0.8086339736710669
Energy: 1.015401715708814
Energy: 0.809416603180047
Energy: 0.8347123206597846
Energy: 0.8095682172853058
Energy: 0.8209221279369944
Energy: 0.8096098320261771
Energy: 0.834560204702904
Energy: 0.8751193538299127
Energy: 0.7694146499678436
Energy: 0.8751193538253761
Energy: 0.9433467187538417
Energy: 0.8440223552083737
Energy: 0.8762591908586105
Energy: 0.8527504906816273

minimum gb energy = 0.7316750727858006 eV
minimum distance =  1.85788341412616 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.2864026876304513
Energy: 0.8324383136053507
Energy: 0.8696342113897368
Energy: 0.8324383103373222
Energy: 0.9960346214652945
Energy: 0.8222207771713124
Energy: 0.9033993865879232
Energy: 0.8148178605504152
Energy: 0.796281609009548
Energy: 0.7737981754866537
Energy: 0.7969344324987554
Energy: 0.7737982609121657
Energy: 0.7987097843742874
Energy: 0.8224012224051055
Energy: 0.9196411924699831
Energy: 0.8224012224063886
Energy: 0.8028433460426526
Energy: 0.7749020532557374
Energy: 0.8552756049935204
Energy: 0.7749019986668441
Energy: 0.9055100032699606
Energy: 0.7671070726483863
Energy: 0.8658412167207561
Energy: 0.7671070722989006
Energy: 0.8679335555356199
Energy: 0.7675474875775289
Energy: 0.9155422774252361
Energy: 0.7675474924750803
Energy: 0.8904334386898097
Energy: 0.8464078518050504
Energy: 0.7936651522847503
Energy: 0.8464078518056921
Energy: 0.8764378387475047
Energy: 0.8748097500942442
Energy: 0.7633837580670672
Energy: 0.8748097500929612
Energy: 0.8691747169602287
Energy: 0.8027381433270451
Energy: 0.8816866010967375
Energy: 0.8027381433238373
Energy: 0.8849212739896691
Energy: 0.9021465287388591
Energy: 1.0267080628115062
Energy: 0.9021465287433502
Energy: 0.8862452831356732
Energy: 0.8210180847464116
Energy: 0.8797433061401997
Energy: 0.8210159215612498
Energy: 0.8234705827059311
Energy: 0.8061338686735674
Energy: 1.0036116980923566
Energy: 0.8061564590957111
Energy: 0.8028571488061556
Energy: 0.7958697493723534
Energy: 0.7874241617676251
Energy: 0.795869749416593
Energy: 1.0463150301324196
Energy: 0.8426151469493391
Energy: 0.79784767548022
Energy: 0.8426151469499806
Energy: 1.198299085510748
Energy: 0.8233036523080306
Energy: 0.8700865203928212
Energy: 0.8233036522304287
Energy: 0.9243448181519077
Energy: 0.8969885821606232
Energy: 0.9253967665098355
Energy: 0.8969885821272611
Energy: 0.8413769413719726
Energy: 0.8044245587188309
Energy: 0.801797519753715
Energy: 0.8044195157869969
Energy: 0.7472463594759245
Energy: 0.8522750906666516
Energy: 0.917388743207506
Energy: 0.852275090189521
Energy: 0.8024736082042616
Energy: 0.8396852613971921
Energy: 0.91571903957204
Energy: 0.839685261391418
Energy: 0.810262585040921
Energy: 0.756757378557608
Energy: 0.8448889956113496
Energy: 0.7567573891005005
Energy: 1.0682541466081563
Energy: 0.7792779206246407
Energy: 0.9112258093843216
Energy: 0.7792779849509239
Energy: 0.871317593634512
Energy: 0.77522035946678
Energy: 0.8629565975310293
Energy: 0.7752203443072312
Energy: 0.9516519920526364
Energy: 0.7914334434897489
Energy: 0.7405594565165436
Energy: 0.7914334434929569
Energy: 0.8564109792520966
Energy: 0.7901337552006333
Energy: 0.8111285718770668
Energy: 0.7901313863113985
Energy: 0.9065733708353986
Energy: 0.8613930414786197
Energy: 0.9968522002527982
Energy: 0.8613930412682692
Energy: 0.8577371961597327
Energy: 0.813366685640206
Energy: 1.0505324649564345
Energy: 0.8133666868291685
Energy: 0.8600331514223543
Energy: 0.8279946338521819
Energy: 0.9756444662357703
Energy: 0.8279946338387087
Energy: 0.8042532695011462
Energy: 0.8181800381879054
Energy: 0.8146329928208238
Energy: 0.8181800327542271
Energy: 0.8491996036734487
Energy: 0.8105067207255522
Energy: 0.7598473404578245
Energy: 0.8105172595802003
Energy: 0.901304666010309
Energy: 0.8301213370904001
Energy: 0.8931591425608723
Energy: 0.8301616803849704

minimum gb energy = 0.7405594565165436 eV
minimum distance =  1.87963842383584 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.7212296510295022
Energy: 0.7479022294592744
Energy: 0.7768395886018107
Energy: 0.7479022356926822
Energy: 0.7916496469332309
Energy: 0.7608273060077785
Energy: 1.0393296558114367
Energy: 0.7608269408863281
Energy: 0.7648219391630358
Energy: 0.7955850244694653
Energy: 0.7500655563157945
Energy: 0.7955851432646857
Energy: 0.7559931347204892
Energy: 0.739058681212109
Energy: 0.9949213084630553
Energy: 0.7383187478333587
Energy: 0.7473918771568705
Energy: 0.7565933858906105
Energy: 0.7268111044967575
Energy: 0.7565933787214915
Energy: 0.9758808312233577
Energy: 0.7156534525185956
Energy: 0.7451197148957232
Energy: 0.7092640003238599
Energy: 0.7307457698539916
Energy: 0.7501305554003042
Energy: 0.8893518402908585
Energy: 0.7501307580129972
Energy: 0.9703221793876574
Energy: 0.7789199323121752
Energy: 0.7768871184946873
Energy: 0.7789201821346033
Energy: 0.7758877536461073
Energy: 0.7136807070143204
Energy: 0.7934847141465479
Energy: 0.7136807070140969

minimum gb energy = 0.7092640003238599 eV
minimum distance =  2.38096210887248 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.9846745366926115
Energy: 0.7900371668496918
Energy: 0.866163263370513
Energy: 0.7912668011009573
Energy: 1.0818077287129917
Energy: 0.8070869411689406
Energy: 0.8131150274777216
Energy: 0.7976574932492065
Energy: 0.8327728563669888
Energy: 0.7907139616920218
Energy: 0.7807988427221326
Energy: 0.7907139613685294
Energy: 0.7406999119219252
Energy: 0.7920839367742818
Energy: 0.8459604231054759
Energy: 0.7920839312592672
Energy: 0.8766501328204971
Energy: 0.7855091214806734
Energy: 0.8936067219175545
Energy: 0.783924850460722
Energy: 0.8188984037951473
Energy: 0.8343800741394599
Energy: 0.8970613762856826
Energy: 0.8343799622453149
Energy: 0.717230703334693
Energy: 0.8171642928160977
Energy: 0.8798488685357336
Energy: 0.8171642780974638
Energy: 0.8664932359884164
Energy: 0.7674330084606145
Energy: 0.9130250293578254
Energy: 0.7674330972818011
Energy: 0.9575474695750388
Energy: 0.8339228486988024
Energy: 0.866674973112379
Energy: 0.8339228486994085
Energy: 0.8544061423097221
Energy: 0.7344290848141498
Energy: 0.8441137829911619
Energy: 0.7344290856725351
Energy: 0.9243468078057607
Energy: 0.8458098311425826
Energy: 0.7401433486475953
Energy: 0.8458098311431885
Energy: 0.8738829606015307
Energy: 0.7910079856606806
Energy: 0.7842217261588993
Energy: 0.7910402044836298
Energy: 0.8627763662125755
Energy: 0.7950647915965161
Energy: 0.865361955925478
Energy: 0.7950647217168273
Energy: 0.8785630164930298
Energy: 0.7635945131614092
Energy: 0.8071368786864981
Energy: 0.7635945131032562
Energy: 0.7611006270896056
Energy: 0.800960297724782
Energy: 0.8253890453041451
Energy: 0.8009602977217519
Energy: 0.7810555061137013
Energy: 0.7978050660524026
Energy: 0.9392056748728261
Energy: 0.7978051214957662
Energy: 0.8078837389271097
Energy: 0.7485067010073545
Energy: 0.9250814861361997
Energy: 0.7485067009340501
Energy: 0.812077135724876
Energy: 0.7858108502318285
Energy: 1.0150054157313568
Energy: 0.785810267408949
Energy: 0.8338988457309159
Energy: 0.8354399659786366
Energy: 0.8406557791887279
Energy: 0.8354399659786366
Energy: 0.841146748850575
Energy: 0.8085545937892524
Energy: 0.7352007437689918
Energy: 0.80855459392374
Energy: 0.9339794493072281
Energy: 0.8227206037112761
Energy: 0.8695605244150558
Energy: 0.8234362604074311
Energy: 0.9044335901514154
Energy: 0.8523542350515924
Energy: 0.8546449229804859
Energy: 0.8458138291468664
Energy: 0.8244709424968635
Energy: 0.8212666405880228
Energy: 0.7155371775352993
Energy: 0.8212666405868105
Energy: 0.8656998432223771
Energy: 0.7664170290590351
Energy: 0.7813239307025175
Energy: 0.7664170292425851
Energy: 0.8651381274975621
Energy: 0.7897208469986109
Energy: 0.9683382677002728
Energy: 0.7897208469986109
Energy: 0.8398044187917024
Energy: 0.7631268262725271
Energy: 0.8732055316291568
Energy: 0.7631268466091488
Energy: 0.748013341608289
Energy: 0.8189294400346847
Energy: 0.9907306215005265
Energy: 0.8189294366726024
Energy: 0.7375759805847558
Energy: 0.7901885342842896
Energy: 0.9588515201861421
Energy: 0.790188534264896
Energy: 0.8967905696908997
Energy: 0.7368993881024908
Energy: 0.8673030592236695
Energy: 0.7369000626858374
Energy: 0.8196407488748422
Energy: 0.7646479017545142
Energy: 0.879042196165528
Energy: 0.7646479082624017
Energy: 0.826962175738869
Energy: 0.7793925405686268
Energy: 0.7244675023582633
Energy: 0.7793925359507845
Energy: 0.9394303475041137
Energy: 0.8166936663723863
Energy: 0.7418310512962483
Energy: 0.8167146945066938
Energy: 0.9412510115489189
Energy: 0.8750882198686495
Energy: 0.8277951455796765
Energy: 0.8750882199849558

minimum gb energy = 0.7155371775352993 eV
minimum distance =  1.85694865331641 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9414882965101431
Energy: 0.7913449386116105
Energy: 0.8831533810170895
Energy: 0.7913114056266793
Energy: 1.0453357898948992
Energy: 0.7790521733446683
Energy: 0.782691115589191
Energy: 0.7790518550401159
Energy: 0.8462630845896981
Energy: 0.7714543791274087
Energy: 0.7829448575562292
Energy: 0.7714543791098304
Energy: 0.6776203873797643
Energy: 0.8275054729498778
Energy: 0.8165127602412564
Energy: 0.8275054729465259
Energy: 0.910712007489569
Energy: 0.8089570310713912
Energy: 0.980958148628672
Energy: 0.808957031053794
Energy: 0.8537729790786356
Energy: 0.876818448283314
Energy: 0.9442642718875983
Energy: 0.8768184482942077
Energy: 0.6894537703988739
Energy: 0.8135144193757902
Energy: 0.8147837956282268
Energy: 0.813514419665611
Energy: 0.831465006228857
Energy: 0.7267376283846749
Energy: 0.8682146558795633
Energy: 0.7277573873473938
Energy: 0.9020897070938724
Energy: 0.7702649592137677
Energy: 0.8108548805882427
Energy: 0.7702649592104158
Energy: 0.7845052409888676
Energy: 0.691313828229841
Energy: 0.8391845783120176
Energy: 0.6913143556782552
Energy: 0.8968836229798547
Energy: 0.7713473703863859
Energy: 0.6959431761139532
Energy: 0.7713453661970301
Energy: 0.838184603481506
Energy: 0.8284352870041087
Energy: 0.8192645047919618
Energy: 0.8284896190519419
Energy: 0.8793126089473613
Energy: 0.8186470081734777
Energy: 0.9629851501801037
Energy: 0.8186397820974297
Energy: 0.8417582987436627
Energy: 0.7444233928413077
Energy: 0.7838004362735775
Energy: 0.740865326251594
Energy: 0.697577487586647
Energy: 0.7759296306478098
Energy: 0.823132246815381
Energy: 0.7759296305941992
Energy: 0.697332717313257
Energy: 0.7913642412417912
Energy: 1.0181532441537946
Energy: 0.7913641783144523
Energy: 0.8377162239660717
Energy: 0.7980927396549241
Energy: 0.9320786193426938
Energy: 0.7980927385895117
Energy: 0.7658971348419034
Energy: 0.8557548822183374
Energy: 0.9010507910463637
Energy: 0.8557537473056548
Energy: 0.6965265999881826
Energy: 0.7803199044158425
Energy: 0.807090477482121
Energy: 0.7803198953196054
Energy: 0.838924064872909
Energy: 0.691664540415142
Energy: 0.8688567199230266
Energy: 0.7159108221303617
Energy: 0.7605413832031233
Energy: 0.7491677674526046
Energy: 0.8326306404810477
Energy: 0.7491677674517666
Energy: 0.7623857118754129
Energy: 0.747962918570238
Energy: 0.7997944014018311
Energy: 0.7479627085862806
Energy: 0.8492161462006812
Energy: 0.7942455988898367
Energy: 0.7103865667200479
Energy: 0.7765162204973305
Energy: 0.8426323791473642
Energy: 0.825045301487627
Energy: 0.9000192384552622
Energy: 0.8120307853918345

minimum gb energy = 0.6776203873797643 eV
minimum distance =  1.87120296013106 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.9813842886150713
Energy: 0.87374089629554
Energy: 0.9461062079906769
Energy: 0.8745551284619683
Energy: 0.9451990507811666
Energy: 0.824286111554247
Energy: 0.7657544900243481
Energy: 0.8242861115309404
Energy: 0.808151176276195
Energy: 0.7927025573109034
Energy: 0.7247905670798255
Energy: 0.7927025573072779
Energy: 0.7903731101337663
Energy: 0.7083799492021169
Energy: 0.92248115750199
Energy: 0.7232250109441068
Energy: 0.8899630619881572
Energy: 0.7445792980957572
Energy: 0.8321645479968907
Energy: 0.7445879722325331
Energy: 0.8265327513909824
Energy: 0.7944826459942407
Energy: 0.8948139988154619
Energy: 0.7944827323026976
Energy: 0.699058312039635
Energy: 0.816889646721053
Energy: 0.9110246723790729
Energy: 0.8168896467215709
Energy: 0.8669032979124115
Energy: 0.7396532122849605
Energy: 0.9127401959485721
Energy: 0.7255437345826918
Energy: 0.7882233370223473
Energy: 0.8318133183189438
Energy: 0.9158815317284871
Energy: 0.8318133125642022
Energy: 0.7293681225566209
Energy: 0.7278550354659953
Energy: 0.8480547648864759
Energy: 0.7278545305000227
Energy: 0.8454057509539982
Energy: 0.773002767013139
Energy: 0.6955572605316575
Energy: 0.7730027103505799
Energy: 0.9033134383494364
Energy: 0.8897284206018714
Energy: 0.8453767507877019
Energy: 0.8897359846466464
Energy: 0.8951366921440135
Energy: 0.9017806105364397
Energy: 0.9419566572106771
Energy: 0.9017806106177071
Energy: 0.8741222771710476
Energy: 0.8198770024672825
Energy: 0.6803609567339083
Energy: 0.8198770024657287
Energy: 0.7734999956075751
Energy: 0.718211334874695
Energy: 0.7522857233028867
Energy: 0.7182095098229918
Energy: 0.8530606884928845
Energy: 0.6948116404017568
Energy: 0.8981547296176976
Energy: 0.6948120524549409
Energy: 0.9561807242232785
Energy: 0.701398733275906
Energy: 0.8511344581592056
Energy: 0.7013983737032502
Energy: 0.6724134786119755
Energy: 0.8246564363698627
Energy: 0.9059430226426796
Energy: 0.8246564361068496
Energy: 0.7558561836156542
Energy: 0.910175855184316
Energy: 0.9236530374781781
Energy: 0.9101731097612867
Energy: 0.9433010693013502
Energy: 0.8752145902734241
Energy: 0.9155420356111097
Energy: 0.8766696384636434
Energy: 0.7335446482042706
Energy: 0.8091316646264356
Energy: 1.0778817951535145
Energy: 0.8091316646461169
Energy: 0.7470059559911777
Energy: 0.7967534253855755
Energy: 0.7832323490445995
Energy: 0.7967534253850577
Energy: 0.9087700836886456
Energy: 0.7066614385874279
Energy: 0.7661685838326865
Energy: 0.7066615152739657
Energy: 0.8448339413801498
Energy: 0.741815902231754
Energy: 0.9328194651317021
Energy: 0.7416814847608046
Energy: 0.8806588995778722
Energy: 0.8934449025678236
Energy: 0.6889262774241315
Energy: 0.8934449025673056
Energy: 0.9971597542036379
Energy: 0.7910058152045089
Energy: 0.6885702818454271
Energy: 0.7910058150202207
Energy: 0.9576332673014247
Energy: 0.7278000951738127
Energy: 0.8820058477569782
Energy: 0.7277931060846491
Energy: 0.9188589174079801
Energy: 0.7887905720754121
Energy: 0.8193102678829769
Energy: 0.7887905720743764
Energy: 0.7658102597003937
Energy: 0.7276937226024093
Energy: 0.7687085427874161
Energy: 0.7276937234493623
Energy: 0.6673891712096405
Energy: 0.7960119293454452
Energy: 0.8409955314338592
Energy: 0.7960119293454452
Energy: 0.9138322631276341
Energy: 0.8780829060008439
Energy: 1.064616199748599
Energy: 0.863919352365865
Energy: 0.9198387775620455
Energy: 0.8673947029961717
Energy: 0.9068428785346104
Energy: 0.8817599469415067
Energy: 0.6820711491227753
Energy: 0.8078861090741926
Energy: 0.8496893658208681
Energy: 0.807886109078336
Energy: 0.8198256843119656
Energy: 0.7120516608345031
Energy: 0.7889808861441159
Energy: 0.7120516530208578
Energy: 0.8905955622881407
Energy: 0.6971048034841575
Energy: 0.8357190427789853
Energy: 0.6971104103100432
Energy: 0.8954856157316489
Energy: 0.7120110298939165
Energy: 0.8069547065522171
Energy: 0.7120110201643155
Energy: 0.8765523239095915
Energy: 0.7808485029235531
Energy: 0.6694778456127457
Energy: 0.7808485030084932
Energy: 0.9268302222789371
Energy: 0.9289557518352196
Energy: 0.8296744500773593
Energy: 0.9289557572083896

minimum gb energy = 0.6673891712096405 eV
minimum distance =  1.87688730362172 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.2183497684447744
Energy: 0.8056760308018425
Energy: 0.7608308306282721
Energy: 0.8022767892317507
Energy: 1.0127157671724587
Energy: 0.7205970466738362
Energy: 0.7713469450825919
Energy: 0.6823708124119282
Energy: 0.7353299107772179
Energy: 0.732237495792712
Energy: 0.7646989335464278
Energy: 0.7322374956071468
Energy: 0.7034418542562626
Energy: 0.7426745960162436
Energy: 0.8792669083728798
Energy: 0.7730070287743736
Energy: 1.007698635452543
Energy: 0.8309150680017225
Energy: 0.799788914679461
Energy: 0.8280607247814075
Energy: 0.7085588775535113
Energy: 0.8939396224752921
Energy: 0.8127365265537583
Energy: 0.8939422333774464
Energy: 0.6623935942576116
Energy: 0.6591059981622888
Energy: 0.8172428172682458
Energy: 0.6591059959977191
Energy: 0.7222348125390404
Energy: 0.6085137017617278
Energy: 0.8282685268190696
Energy: 0.6085137019256412
Energy: 0.7601470893005972
Energy: 0.6108211385952262
Energy: 0.8022552000401497
Energy: 0.607429553195313
Energy: 0.8554221054035938
Energy: 0.6487269125966821
Energy: 0.6906497608849199
Energy: 0.64880079912748
Energy: 0.8829800595120616
Energy: 0.749352183049927
Energy: 0.6980438141136156
Energy: 0.7493522398224132
Energy: 0.7933177987117409
Energy: 0.8909059791346503
Energy: 0.7665780490654118
Energy: 0.8909059791454608
Energy: 0.8038033412321283
Energy: 0.9196599170640981
Energy: 0.9334939152124121
Energy: 0.9196599382833465
Energy: 0.8761054070171236
Energy: 0.8024066230778345
Energy: 0.6506794117956384
Energy: 0.802406623098131
Energy: 0.9772506160514322
Energy: 0.7989875071903088
Energy: 0.7601382510063477
Energy: 0.7981942414958776

minimum gb energy = 0.607429553195313 eV
minimum distance =  1.84594550791352 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.8922885876359133
Energy: 0.9148286919006664
Energy: 0.8456545542107922
Energy: 0.9150354178250302
Energy: 0.7607317507002067
Energy: 0.6533250708036534
Energy: 0.6799393615188603
Energy: 0.662864290491812
Energy: 0.7776275976231407
Energy: 0.8019391803620617
Energy: 0.6589841874997575
Energy: 0.8019391803597897
Energy: 0.6992712632422512
Energy: 0.6307940813611315
Energy: 0.9733053123223021
Energy: 0.634757173309731
Energy: 0.8935665551721195
Energy: 0.7300320280062067
Energy: 0.7621085194044431
Energy: 0.7300320252713646
Energy: 0.6807114429302341
Energy: 0.6899272838291638
Energy: 0.7667990710365685
Energy: 0.6899273244997643
Energy: 0.6976698140477219
Energy: 0.6841812866394079
Energy: 0.9840036884264843
Energy: 0.6841409686357417
Energy: 0.9920946505597843
Energy: 0.9195480947719232
Energy: 0.8790997961194151
Energy: 0.9195474807975889
Energy: 0.6251964028421354
Energy: 0.9311376851113188
Energy: 1.0101750963639728
Energy: 0.9311376850903028
Energy: 0.6190756652617727
Energy: 0.7654178433535347
Energy: 0.8654318575781466
Energy: 0.7654185884367052
Energy: 0.9063279913402186
Energy: 0.7579145542362606
Energy: 0.8616722627859963
Energy: 0.7579055655162823
Energy: 0.7545329266325498
Energy: 0.6805245466603681
Energy: 0.9350612800109911
Energy: 0.6805268958999734
Energy: 0.7549402200927189
Energy: 0.6740816317823707
Energy: 0.7615030104795791
Energy: 0.6744829393374288
Energy: 0.991180126612675
Energy: 0.6482176243416221
Energy: 0.6944123911893136
Energy: 0.6481726593756139
Energy: 0.86616126978399
Energy: 0.734718423985555
Energy: 0.9143948715265074
Energy: 0.7347116530414748
Energy: 0.8538306985883294
Energy: 0.8359549032010918
Energy: 0.7201232402954792
Energy: 0.8359549030250892
Energy: 1.0336114115910446
Energy: 0.6589302985688067
Energy: 0.6156123290327887
Energy: 0.6675150201092518
Energy: 0.8701635269958093
Energy: 0.8909855357544669
Energy: 0.7907994240916381
Energy: 0.8918170143216763
Energy: 0.9135039515127149
Energy: 0.9499696146853137
Energy: 0.6565918638897362
Energy: 0.9499696175552623
Energy: 0.9214134680747259
Energy: 0.7180296890627683
Energy: 0.647780391081992
Energy: 0.7180296891797247
Energy: 0.7055642714380896
Energy: 0.650075462966665
Energy: 0.8132406002079026
Energy: 0.6493403067478938
Energy: 0.8634251918948805
Energy: 0.7276837796356268
Energy: 0.7757082982449818
Energy: 0.7276804288578212
Energy: 0.7109210302643993
Energy: 0.6986445539990037
Energy: 0.764018308209277
Energy: 0.6986445592773494
Energy: 0.611254418211106
Energy: 0.7286976734919635
Energy: 0.95992255509616
Energy: 0.7286976765265804
Energy: 0.9614567976691185
Energy: 1.15446393682255
Energy: 0.8850375238833937
Energy: 1.1823066691295157
Energy: 0.8024409845370617
Energy: 0.8785737048091165
Energy: 0.8637484012656415
Energy: 0.8824055430671823
Energy: 0.6068101785104546
Energy: 0.7579239315812836
Energy: 0.9514412200751634
Energy: 0.7579239315801476
Energy: 0.8965624393536518
Energy: 0.7426220397919401
Energy: 0.8060858444236637
Energy: 0.7426233199784754
Energy: 0.746782290850551
Energy: 0.8211548773014871
Energy: 0.9604698679248188
Energy: 0.821154877574566
Energy: 0.6492141197361841
Energy: 0.6317615781186244
Energy: 0.7758050674689461
Energy: 0.631761567455743
Energy: 0.8811745622231455
Energy: 0.61959451658237
Energy: 0.6962287238480018
Energy: 0.6196001580769175
Energy: 0.8472426750573709
Energy: 0.8049536501617556
Energy: 0.7594054195338448
Energy: 0.8049539075155417
Energy: 0.8725306979112252
Energy: 0.7638301822161302
Energy: 0.8411273095300085
Energy: 0.7861613301932788
Energy: 0.9676442353034346
Energy: 0.7312148014537025
Energy: 0.6043089336525274
Energy: 0.731214801633113
Energy: 0.9275234427329034
Energy: 0.9238788813061891
Energy: 0.9367111339678285
Energy: 0.9247266479283537

minimum gb energy = 0.6043089336525274 eV
minimum distance =  1.86624089665429 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.7438068078839521
Energy: 0.9240562122250501
Energy: 1.0063740971028883
Energy: 0.9240562122397084
Energy: 0.921668854719713
Energy: 0.572269220393517
Energy: 0.6782006808661376
Energy: 0.5722691837091948
Energy: 0.7213016080332599
Energy: 0.6922832220808356
Energy: 0.6517246413197832
Energy: 0.6922832181023567
Energy: 0.7213536558525726
Energy: 0.6738784923063637
Energy: 0.9433249825892404
Energy: 0.6738766732965469
Energy: 0.8553188007146031
Energy: 0.6926270233494375
Energy: 0.6429488895637866
Energy: 0.69262702316874
Energy: 0.6625492364563719
Energy: 0.736310976146828
Energy: 0.88665066557838
Energy: 0.7363118414705403
Energy: 0.564561462916585
Energy: 0.6385869929999834
Energy: 1.0168178859881845
Energy: 0.6385921581069539
Energy: 0.9362653070142131
Energy: 0.8397340162627585
Energy: 0.8710210819980764
Energy: 0.8361190162047659
Energy: 0.5572710060794555
Energy: 0.8702951691653878
Energy: 0.8499613858398062
Energy: 0.8702951691614789
Energy: 0.60944441514563
Energy: 0.6243088460024037
Energy: 0.9635217937658679
Energy: 0.6243088567177757
Energy: 1.0063740971028883
Energy: 0.9240562122309134
Energy: 0.7438068078819977
Energy: 0.9240562122387311
Energy: 0.6782185437993076
Energy: 0.572269146468077
Energy: 0.9068202481275949
Energy: 0.5722690696582049
Energy: 0.6517246412309002
Energy: 0.6922832820537823
Energy: 0.721301603902401
Energy: 0.6922832876156305
Energy: 0.9433249825911948
Energy: 0.6738596672896259
Energy: 0.7213536558506182
Energy: 0.6738613978130098
Energy: 0.6429488895549916
Energy: 0.6926270231667856
Energy: 0.8548589733572398
Energy: 0.6926270232703269
Energy: 0.8375766436825834
Energy: 0.7363188154140704
Energy: 0.5750530484996701
Energy: 0.7363166073624114
Energy: 1.0168383974672752
Energy: 0.6386464819341924
Energy: 0.5645614629449024
Energy: 0.6386462393884202
Energy: 0.8710210819980764
Energy: 0.8333989389692389
Energy: 0.9362659051916941
Energy: 0.8381125858329946
Energy: 0.8499613885171999
Energy: 0.8702951691673423
Energy: 0.5570254593549218
Energy: 0.8702951691653878
Energy: 0.9735141411698147
Energy: 0.6243088959622695
Energy: 0.6094444151505161
Energy: 0.6243088758169523

minimum gb energy = 0.5570254593549218 eV
minimum distance =  1.88846141817139 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.903624906286993
Energy: 0.9588644067776874
Energy: 0.9415375737615875
Energy: 0.9588644070759144
Energy: 0.9283213541825972
Energy: 0.5167264002461043
Energy: 0.5947942925902819
Energy: 0.5188889092098757
Energy: 0.818014900968155
Energy: 0.7131328080173713
Energy: 0.5853709914857151
Energy: 0.713132830034765
Energy: 0.6822618953795462
Energy: 0.6878864331618683
Energy: 0.8736316508225738
Energy: 0.6846006913618595
Energy: 0.967915275804874
Energy: 0.5657483267203063
Energy: 0.7560374291535493
Energy: 0.5657490597906369
Energy: 0.646748239561889
Energy: 0.7357823378152993
Energy: 0.796599700656929
Energy: 0.7357823378145363
Energy: 0.6375898043629219
Energy: 0.5586764878851687
Energy: 0.9481135730145468
Energy: 0.5586763126246757
Energy: 0.8659376357379296
Energy: 0.7115913340139534
Energy: 0.7316414130473272
Energy: 0.7115913324396422
Energy: 0.644618765968706
Energy: 0.7405017970101048
Energy: 0.9296810041833558
Energy: 0.7405017970093416
Energy: 0.5969538272179381
Energy: 0.5810315024285699
Energy: 0.9324693894616595
Energy: 0.5810314903474629
Energy: 0.8855816805568016
Energy: 0.8466483636944369
Energy: 0.7892602915876465
Energy: 0.8466458277368488
Energy: 0.5144089946046982
Energy: 0.6555463012669058
Energy: 0.9245051104118243
Energy: 0.655544620270863
Energy: 0.5387075010434732
Energy: 0.7179518301682641
Energy: 1.0362512266635049
Energy: 0.7167667773510321
Energy: 0.8030041655424175
Energy: 0.887675670170754
Energy: 0.8357507271411145
Energy: 0.887656980030386
Energy: 0.5733189736326096
Energy: 0.5032408170453064
Energy: 0.9488875760290573
Energy: 0.4943093214671383
Energy: 0.5841436895740008
Energy: 0.7655158132806777
Energy: 0.8173602141807483
Energy: 0.7654388586293039
Energy: 0.8586928254117513
Energy: 0.7514226866771545
Energy: 0.8235757978262415
Energy: 0.7514226866741022
Energy: 0.576115260244314
Energy: 0.5642784383440765
Energy: 0.9568409977745814
Energy: 0.5642787274549281
Energy: 0.736883297795969
Energy: 0.6732603608625707
Energy: 0.6353483160504617
Energy: 0.6461391838694182
Energy: 0.9551726923844079
Energy: 0.5688879463483427
Energy: 0.6402205385749152
Energy: 0.558168300487517
Energy: 0.7727244545107945
Energy: 0.704720532482511
Energy: 0.8556820035307275
Energy: 0.704719273295881
Energy: 0.9341145851491136
Energy: 0.735892488092962
Energy: 0.49753622558445687
Energy: 0.735892488101356
Energy: 0.9373776425963166
Energy: 0.6984512413914037
Energy: 0.5756224731347648
Energy: 0.6672138962222852
Energy: 0.7402576761884335
Energy: 0.8461858663350832
Energy: 0.8805074130647917
Energy: 0.8483493511570043
Energy: 1.0591047483637361
Energy: 0.6788814199044645
Energy: 0.5030833977687666
Energy: 0.6788684846190256
Energy: 0.8286542234472144
Energy: 0.8586313256287722
Energy: 0.6988573285367576
Energy: 0.8789450920842965

minimum gb energy = 0.4943093214671383 eV
minimum distance =  1.83193329019163 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0952886512374254
Energy: 0.8631023519989086
Energy: 0.8826861383107388
Energy: 0.8657240783460048
Energy: 1.1100737829910954
Energy: 0.5919989112012677
Energy: 0.5236614361532623
Energy: 0.591992023069996
Energy: 0.9508980996657141
Energy: 0.7003195566633541
Energy: 0.5435972246853985
Energy: 0.7003341567044457
Energy: 0.8562962972051834
Energy: 0.9759865760891598
Energy: 0.7599266516865782
Energy: 0.9804488322500288
Energy: 0.9980711263857315
Energy: 0.514314918607202
Energy: 0.6687527926631798
Energy: 0.5142896771143007
Energy: 0.7679897487122118
Energy: 0.6947716266415157
Energy: 0.6827186221242947
Energy: 0.6947716091267774
Energy: 0.7823659267575435
Energy: 0.6001507215059998
Energy: 0.8718267922540277
Energy: 0.6001507213415228
Energy: 0.872227845661022
Energy: 0.5739078844521511
Energy: 0.6816207336799426
Energy: 0.5725703127979518
Energy: 0.6609414335830965
Energy: 0.6430713210033016
Energy: 0.8303950968113103
Energy: 0.6370279843363145
Energy: 0.6279538687882104
Energy: 0.5962183789011816
Energy: 1.0083470808226749
Energy: 0.5869802157211103
Energy: 0.8595744712412856
Energy: 0.7288957627015643
Energy: 0.885621254518206
Energy: 0.7288957629079281
Energy: 0.5536353712150194
Energy: 0.6504973180128958
Energy: 0.980506672048781
Energy: 0.6504973179303729
Energy: 0.5252746245253177
Energy: 0.7278730964005484
Energy: 1.0483487104952658
Energy: 0.7278730930800722
Energy: 0.8773637092279449
Energy: 0.8494502037944884
Energy: 0.8688199179277319
Energy: 0.859955293845386
Energy: 0.5146468986145449
Energy: 0.4599548979582137
Energy: 0.9201168521277704
Energy: 0.4599525746896497
Energy: 0.5388755356629406
Energy: 0.7000407809921263
Energy: 0.9003379644208066
Energy: 0.6989873653510972
Energy: 0.6671600714890691
Energy: 0.7948371828778613
Energy: 0.9041503310496888
Energy: 0.7957144612343519
Energy: 0.5359134200002974
Energy: 0.5326853917988783
Energy: 1.0773501744251037
Energy: 0.5326853917995039
Energy: 0.5905674374258342
Energy: 0.7401027043471073
Energy: 0.7740288929003513
Energy: 0.740907859837623
Energy: 0.6802181479442566
Energy: 0.784075437840788
Energy: 0.7936673998670765
Energy: 0.7840754382428805
Energy: 0.6674162447548794
Energy: 0.5314090273485036
Energy: 0.9718925363751012
Energy: 0.5314090279006557
Energy: 0.7434215646727778
Energy: 0.5919061780077866
Energy: 0.7744634129395236
Energy: 0.5919065210371336
Energy: 0.8069723030073681
Energy: 0.6928549898272738
Energy: 0.765299785077929
Energy: 0.6928548003041755
Energy: 0.6904888025166711
Energy: 0.5998018242340094
Energy: 0.9028273090880353
Energy: 0.5998018237906555
Energy: 0.943783153130275
Energy: 0.5220962683840357
Energy: 0.6866799455939532
Energy: 0.522099872961443
Energy: 0.8558668626182876
Energy: 0.7034823425598975
Energy: 0.8134099191764711
Energy: 0.7034828454950479
Energy: 0.8616781916468091
Energy: 0.7418241320226961
Energy: 0.7433816913147021
Energy: 0.7418241053894449
Energy: 1.1880162894385449
Energy: 0.5146393757238145
Energy: 0.5224377880716449
Energy: 0.5146393982524239
Energy: 0.8662020325042689
Energy: 0.870610277640257
Energy: 0.5747222885006237
Energy: 0.8706100152635491
Energy: 0.9096405959611635
Energy: 0.8487736559208187
Energy: 0.5103519342233844
Energy: 0.862807033987754
Energy: 1.0336440577784025
Energy: 0.5244102416824906
Energy: 0.49892781961964844
Energy: 0.5244102416774857
Energy: 0.9723236122051044
Energy: 0.8821004772629293
Energy: 0.7166907255253433
Energy: 0.8820845976826563

minimum gb energy = 0.4599525746896497 eV
minimum distance =  1.81847734683404 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.8981440597658132
Energy: 1.1961710616612673
Energy: 0.8825145092315209
Energy: 1.1961710590671404
Energy: 1.0396609323633628
Energy: 0.5884664575290209
Energy: 0.4813250311700012
Energy: 0.5884667494612165
Energy: 0.9774155678794244
Energy: 0.6630182236356549
Energy: 0.534451392098951
Energy: 0.669178465579471
Energy: 0.8152813822506931
Energy: 0.7355079905191583
Energy: 0.8371003219594719
Energy: 0.7355308029142283
Energy: 1.0433181297868488
Energy: 0.47278391984900475
Energy: 0.6022512177177137
Energy: 0.47278390863446335
Energy: 0.7953656312059553
Energy: 0.7036100298089534
Energy: 0.6310024822386959
Energy: 0.7036100291356454
Energy: 0.6523132374673152
Energy: 0.6417391265778436
Energy: 0.7311323510346088
Energy: 0.6417391022071767
Energy: 0.9953199149390485
Energy: 0.5101693976275493
Energy: 0.590677516643627
Energy: 0.5217944248978308
Energy: 0.6381471598934866
Energy: 0.5529094170887138
Energy: 0.8760959689841162
Energy: 0.5429967945115401
Energy: 0.6416490983903682
Energy: 0.6617862828683406
Energy: 0.8958912064032241
Energy: 0.6617898199402694
Energy: 0.9432826398888159
Energy: 0.7071691892859074
Energy: 0.7274940286158094
Energy: 0.7071691349162
Energy: 0.5602408945128856
Energy: 0.5212270562004659
Energy: 0.9299510923601625
Energy: 0.5212271817919979
Energy: 0.5996326686510338
Energy: 0.5932282927499449
Energy: 0.9019910028232335
Energy: 0.607111723675567
Energy: 0.8250226314186778
Energy: 0.741147785751572
Energy: 0.7270195742828611
Energy: 0.7380061353807844
Energy: 0.49182281969887126
Energy: 0.6144317191920282
Energy: 1.0416367472719517
Energy: 0.6144317191671195
Energy: 0.6742557202537469
Energy: 0.8303251490720424
Energy: 0.8891138184110156
Energy: 0.7755603708354422
Energy: 0.699405128874129
Energy: 0.8702041407305852
Energy: 0.9414514541562602
Energy: 0.8700026899396077
Energy: 0.43094985455707424
Energy: 0.45209983301183504
Energy: 1.1503672427101903
Energy: 0.45209983301395495
Energy: 0.7614865933582764
Energy: 0.883089337459852
Energy: 0.8253817205971414
Energy: 0.883200375021162
Energy: 0.5925278906822476
Energy: 0.7465560001081851
Energy: 0.9599329518605623
Energy: 0.7666244088304991
Energy: 0.4802376617679871
Energy: 0.4403975456873876
Energy: 1.127290371210275
Energy: 0.44039661051616225
Energy: 0.7493060818422532
Energy: 0.7248531889136262
Energy: 0.8036528918303328
Energy: 0.7352722190278713
Energy: 0.5898729909910965
Energy: 0.7248585981720745
Energy: 0.800690611473496
Energy: 0.7186633223167737
Energy: 0.593769175436912
Energy: 0.4843831397361689
Energy: 0.9421890188578124
Energy: 0.4857075938239101
Energy: 0.7767016487427046
Energy: 0.6179926878404712
Energy: 0.6442812097396137
Energy: 0.6179904434128026
Energy: 0.7288680011462743
Energy: 0.6263086934639058
Energy: 0.8795329275784748
Energy: 0.6263501947458583
Energy: 0.6104525170946674
Energy: 0.6612695502606988
Energy: 0.7378346307704318
Energy: 0.6612695502612288
Energy: 0.9407963985880893
Energy: 0.5258329406453257
Energy: 0.6974822398057399
Energy: 0.5258330484699572
Energy: 0.7194309888247424
Energy: 0.6183252730560495
Energy: 0.7665618455922701
Energy: 0.6179574478112599
Energy: 0.7211279232551804
Energy: 0.6839695295173274
Energy: 0.6266558314064435
Energy: 0.6839697128551764
Energy: 1.037110780657229
Energy: 0.4701261344284034
Energy: 0.5310052611128403
Energy: 0.47014014346113076
Energy: 0.7269961972074028
Energy: 0.7940950049468518
Energy: 0.7370696417943757
Energy: 0.7940950049473817
Energy: 0.9053783443011554
Energy: 0.6959080838348684
Energy: 0.5246377308294948
Energy: 0.6959184567302069
Energy: 1.1252982712604698
Energy: 0.5131918217364013
Energy: 0.5065055289572743
Energy: 0.5131918405898452
Energy: 0.9020746447605851
Energy: 1.0716211896392274
Energy: 0.8480744613836323
Energy: 1.0716204977282417
Energy: 1.042539137413858
Energy: 0.6486046484768206
Energy: 0.43640650143505977
Energy: 0.651356546243519
Energy: 0.9653502809727487
Energy: 0.6776207956848447
Energy: 0.4292157487762006
Energy: 0.6193437680423269

minimum gb energy = 0.4292157487762006 eV
minimum distance =  1.87646469247167 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.8637274430879692
Energy: 0.8597765154459918
Energy: 0.8610959306818974
Energy: 0.8588747230833131
Energy: 1.0571724323116956
Energy: 0.4712956997810919
Energy: 0.4362923194215405
Energy: 0.526483032759755
Energy: 0.8427452320777905
Energy: 0.600997074867774
Energy: 0.44453926069973126
Energy: 0.6009859457379237
Energy: 0.7045780855522167
Energy: 0.7297556464870093
Energy: 0.7898580668750071
Energy: 0.7297706645279572
Energy: 1.0702810870827495
Energy: 0.41382235289179725
Energy: 0.5210537637546413
Energy: 0.41601182623390515
Energy: 0.7060787441021344
Energy: 0.5879326377986547
Energy: 0.5817243565973568
Energy: 0.5816148867642662
Energy: 0.7018953477463772
Energy: 0.6320923498428968
Energy: 0.7088087311529996
Energy: 0.6357597603561516
Energy: 0.9499455725768804
Energy: 0.45965111467616165
Energy: 0.5292340055169139
Energy: 0.4598793193140326
Energy: 0.6977113324331419
Energy: 0.6358400691692746
Energy: 0.6486715031499227
Energy: 0.6358407196832667
Energy: 0.7091634383509187
Energy: 0.5634312145831449
Energy: 0.7657538617698274
Energy: 0.5634177789719584
Energy: 0.8764883351643633
Energy: 0.5273018656823076
Energy: 0.6470355135582863
Energy: 0.5272477037923373
Energy: 0.6070214031061629
Energy: 0.48264120873243066
Energy: 0.8491242515887335
Energy: 0.469601021222491
Energy: 0.6320943676945405
Energy: 0.6735063676840853
Energy: 0.7735490518232554
Energy: 0.6735063708096883
Energy: 0.8563002104368677
Energy: 0.6188930330314192
Energy: 0.6556204468838083
Energy: 0.6188930317605984
Energy: 0.47862014040600365
Energy: 0.41935957598201307
Energy: 0.9811391522505325
Energy: 0.419359451798129
Energy: 0.5576197426536947
Energy: 0.7372358411583159
Energy: 0.774608967668303
Energy: 0.7372358575342608
Energy: 0.6517140019442547
Energy: 0.739141260734604
Energy: 0.7745593842524415
Energy: 0.7316970655324955
Energy: 0.42544368734888355
Energy: 0.45023892797075876
Energy: 1.122521195108731
Energy: 0.4502389281990991
Energy: 0.6780477831711339
Energy: 0.8204827342117729
Energy: 0.9198574948711048
Energy: 0.8216116939402274
Energy: 0.5179849646593256
Energy: 0.7975256522881673
Energy: 0.9239034540918772
Energy: 0.8031139630882981
Energy: 0.38579702488223094
Energy: 0.45749867742342054
Energy: 1.0689685890318106
Energy: 0.4574986772796135
Energy: 0.6478021553772616
Energy: 0.8596209169373323
Energy: 0.8466009400990558
Energy: 0.8525949660121309
Energy: 0.454440369857049
Energy: 0.9985897247175923
Energy: 0.9868745584176981
Energy: 1.0038160613894103
Energy: 0.46243908243617626
Energy: 0.44945880566964086
Energy: 1.0649005251832706
Energy: 0.4216951363522412
Energy: 0.7975714207017417
Energy: 0.7181660255939881
Energy: 0.7350076749827554
Energy: 0.7257824169710099
Energy: 0.5310517422986603
Energy: 0.5483607532852215
Energy: 0.9989870982456273
Energy: 0.5483607555686457
Energy: 0.5340397101054535
Energy: 0.5455906902023422
Energy: 0.829277478277647
Energy: 0.5407426090409991
Energy: 0.8350083292174177
Energy: 0.6080597533619473
Energy: 0.7123171727475128
Energy: 0.6030119076631433
Energy: 0.6337730797596649
Energy: 0.5051179177134811
Energy: 0.9628704498631049
Energy: 0.4951595110475007
Energy: 0.6706182516385079
Energy: 0.6153760720677609
Energy: 0.6987090100565212
Energy: 0.6190913636183818
Energy: 0.88434246081654
Energy: 0.5348696598038895
Energy: 0.5687607701601934
Energy: 0.5458535225170023
Energy: 0.6561140814395351
Energy: 0.5282690727589157
Energy: 0.881234108592625
Energy: 0.5282690180120989
Energy: 0.7877799774748585
Energy: 0.5852542396614744
Energy: 0.573738786391423
Energy: 0.585254242487053
Energy: 0.9607296974080756
Energy: 0.49291305513415923
Energy: 0.5665035306663904
Energy: 0.49286743071613287
Energy: 0.6523903390687974
Energy: 0.6318271970577377
Energy: 0.8299462608661144
Energy: 0.6318271066819927
Energy: 0.911914264196696
Energy: 0.5592142746082696
Energy: 0.5763856380618859
Energy: 0.5592182050268946
Energy: 0.9188686733819567
Energy: 0.5400704354573242
Energy: 0.522641106629779
Energy: 0.5400706901631092
Energy: 0.7883073706633807
Energy: 0.7131240364595924
Energy: 0.7733211672434749
Energy: 0.7124011216088834
Energy: 1.0603607941104602
Energy: 0.4962279609628709
Energy: 0.44094652113806193
Energy: 0.4961571899706377
Energy: 0.9300847777299057
Energy: 0.7334239174266193
Energy: 0.43807359593193435
Energy: 0.685789966428339
Energy: 0.8081176593672659
Energy: 0.8677534339645772
Energy: 0.6589553834776715
Energy: 0.8478477023152489
Energy: 1.094358293929434
Energy: 0.41073469218228914
Energy: 0.38784503488415967
Energy: 0.39680324201975675
Energy: 0.8617208006026703
Energy: 0.7216757839581379
Energy: 0.6563422219392386
Energy: 0.8949500323828538

minimum gb energy = 0.38579702488223094 eV
minimum distance =  1.82766266622448 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011658047205069568
Energy: 0.4800076900610296
Energy: 0.9633122853955121
Energy: 0.4800076896435036
Energy: 0.8663647241937619
Energy: 0.5574610285542168
Energy: 0.6892647362791988
Energy: 0.5567922372391583
Energy: 0.013529347005255772
Energy: 0.3156986447905535
Energy: 0.667864932945603
Energy: 0.38606197859061114
Energy: 0.013346369687417575
Energy: 0.362605237731354
Energy: 1.0025508817399693
Energy: 0.37183310917240375
Energy: 1.053157706416112
Energy: 0.4020989767758483
Energy: 0.6141926379644863
Energy: 0.4061100577151149
Energy: 0.012834181363395758
Energy: 0.2682880011789829
Energy: 0.9741969792083369
Energy: 0.26518506368769523

minimum gb energy = 0.011658047205069568 eV
minimum distance =  1.91315678170848 Angstroms
sigma value = 1