Model name: model_name=EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.638568460941315
cohesive_energy=3.4069304484773077
mass=63.546
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=[1.85150736178308e-19, 2.33416307277558e-19, 2.75507089629372e-19, 3.1240041098049e-19, 3.4409627133091194e-19, 3.70778920993548e-19, 3.9327828746481e-19, 4.1256208543163392e-19, 4.2941858579794795e-19, 4.44386119912776e-19, 4.57812360105696e-19, 4.699408372250759e-19, 4.81015082119284e-19, 4.9133950834878e-19, 5.012441643001679e-19, 5.107755130958339e-19, 5.19648367294926e-19, 5.27463784915578e-19, 5.338660827450419e-19, 5.387206779460619e-19, 5.42102872820436e-19, 5.442481873333619e-19, 5.4542899151262e-19, 5.45807105198244e-19, 5.45406561039744e-19, 5.44129626262446e-19, 5.41862546325336e-19, 5.38457920978086e-19, 5.3373310208442e-19, 5.27463784915578e-19, 5.193775994437799e-19, 5.0916372340202995e-19, 4.964840975205539e-19, 4.809734255267999e-19, 4.622199480258299e-19, 4.39720581554568e-19, 4.12821638046342e-19, 3.80531370164706e-19, 3.41101803201966e-19, 2.9101455726985798e-19, 2.22827521903452e-19, 1.208263884588126e-19, -4.50735545913318e-20, -3.1792792036779e-19, -7.806028865576759e-19, -1.595731077401418e-18, -3.09984328616418e-18, -6.0248250144935995e-18, -1.20618265714056e-17, -2.54814978401262e-17, -5.836793564727359e-17, -1.5040128738114539e-16, -4.62048515125992e-16]
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: 0.012969398424950996
Energy: 0.013342402507515538
Energy: 0.7383913916882705
Energy: 0.10898412222407156
Energy: 0.013342402508134656
Energy: 0.9560092277195131
Energy: 0.10898412222345245
Energy: 0.956009221147618
Energy: 0.7383913916900935
Energy: 0.10898412222286771
Energy: 0.012969398424950996
Energy: 0.013342402508134656
Energy: 0.10898412222469067
Energy: 0.9560092243491763
Energy: 0.013342402508134656
Energy: 0.9560092246982898

minimum gb energy = 0.012969398424950996 eV
minimum distance =  2.52737924647924 Angstroms
sigma value = 1


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

Energy: 1.3164190467334407
Energy: 0.7998119477482171
Energy: 0.8472871338640539
Energy: 0.8454437788489325
Energy: 0.8522131776118768
Energy: 0.8871476458705932
Energy: 0.8259897519978642
Energy: 0.8871476458690916
Energy: 0.8448655645082371
Energy: 0.8449837599591967
Energy: 0.8255459836021161
Energy: 0.8449837599576949
Energy: 0.8270491352502778
Energy: 0.8253950813048719
Energy: 0.8258260763866571
Energy: 0.8253950813033702
Energy: 0.88983110103439
Energy: 0.8257726864941877
Energy: 0.8269183772956591
Energy: 0.8257726864911843
Energy: 0.8270160714332422
Energy: 0.9278053248194628
Energy: 0.8259218357658974
Energy: 0.9278053248187118
Energy: 0.8803792753684744
Energy: 0.9203240582808094
Energy: 0.8886275947024714
Energy: 0.9203240582800584
Energy: 0.8797468017911821
Energy: 0.9236501580232575
Energy: 0.8568702880659584
Energy: 0.923650158020254
Energy: 0.9082705423389176
Energy: 0.9867105620267461
Energy: 0.9079142942976105
Energy: 0.9867105620244935
Energy: 0.9121522393423137
Energy: 0.958671719339988
Energy: 0.9066728350303523
Energy: 0.958671719339988
Energy: 0.9093031174242552
Energy: 0.9878802536494
Energy: 0.906643276345509
Energy: 0.9878802536501509
Energy: 0.9065731372912462
Energy: 0.9880279072204581
Energy: 0.8579603229098016
Energy: 0.9880279072204581
Energy: 0.8819839678169105
Energy: 0.9209065205612599
Energy: 0.9092821578908422
Energy: 0.9209065205597581
Energy: 0.8270311141289952
Energy: 0.9232424828724146
Energy: 0.8831616708199129
Energy: 0.9232424828738822
Energy: 0.8524086886305245
Energy: 0.8249493823925684
Energy: 0.8246566768244873
Energy: 0.8249493823933194
Energy: 0.7969501174455752
Energy: 0.8250937120322278
Energy: 0.8251758659701809
Energy: 0.8250937120329787
Energy: 0.84469543532568
Energy: 0.8422124880003933
Energy: 0.797044978110598
Energy: 0.8422124880011442
Energy: 0.8260532814840198
Energy: 0.8267990500257075
Energy: 0.8524416089206363
Energy: 0.8267990500272093
Energy: 0.8254118334178349
Energy: 0.8458070332909265
Energy: 0.8448642181592714
Energy: 0.8458070332894246
Energy: 0.8263640868319176
Energy: 0.827414930909296
Energy: 0.8274785867961456
Energy: 0.8274149309115486
Energy: 0.8255869301804717
Energy: 0.8248980668555586
Energy: 0.8900881252192356
Energy: 0.8248980668548078
Energy: 0.8257971912910079
Energy: 0.8253869215849569
Energy: 0.8271381282104872
Energy: 0.8253869215849569
Energy: 0.8873712837210684
Energy: 0.9277908850646672
Energy: 0.8796217579552073
Energy: 0.9277908850669198
Energy: 0.8570253373958913
Energy: 0.9223634326439493
Energy: 0.8805501720627654
Energy: 0.9223634326447002
Energy: 0.9085515539262701
Energy: 0.9905316822702224
Energy: 0.9083573494543162
Energy: 0.9905316822702224
Energy: 0.9067320595340185
Energy: 0.9858971109986872
Energy: 0.9134420089949636
Energy: 0.9858971109994381
Energy: 0.9066714666452781
Energy: 0.9877618969562407
Energy: 0.9094402612388904
Energy: 0.9877618969547389
Energy: 0.8590333149816014
Energy: 0.9878189399133686
Energy: 0.9125016702112608
Energy: 0.9878189399133686
Energy: 0.9101252822077126
Energy: 0.920539913887951
Energy: 0.8829444644360103
Energy: 0.920539913887951
Energy: 0.9100469934987874
Energy: 0.9210254462688222
Energy: 0.8270851980848852
Energy: 0.9210254462703238
Energy: 0.8242868114169075
Energy: 0.8248860565583671
Energy: 0.8526366932449069
Energy: 0.8248860565546129
Energy: 0.8250898313177262
Energy: 0.8248776088097891
Energy: 0.7969758059029112
Energy: 0.8248776088090384
Energy: 0.796968425625893
Energy: 0.8419315774279917
Energy: 0.8425294853903428
Energy: 0.8419315774264898

minimum gb energy = 0.7969501174455752 eV
minimum distance =  2.2816692867686 Angstroms
sigma value = 1


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

Energy: 1.5013115869982632
Energy: 0.8422995705550855
Energy: 0.894544959776301
Energy: 0.89383236948816
Energy: 0.9068910413992882
Energy: 0.9358688844701117
Energy: 0.8728276887046055
Energy: 0.9358688844769605
Energy: 0.893414924803054
Energy: 0.8934652722962019
Energy: 0.8740872690078911
Energy: 0.8934652722962019
Energy: 0.8755638406028012
Energy: 0.8730158585328307
Energy: 0.8736008246442662
Energy: 0.873015858527694
Energy: 0.8734748912796538
Energy: 0.8735633000696044
Energy: 0.8729771369005933
Energy: 0.8735633000653238
Energy: 0.8745068799544827
Energy: 1.0107962352259119
Energy: 0.8740382148662648
Energy: 1.0107962352319044
Energy: 0.9390422859704841
Energy: 0.9855411738864609
Energy: 0.9675306704538151
Energy: 0.9855411738838926
Energy: 0.9388068874888299
Energy: 0.9871766743747635
Energy: 0.9068109627383474
Energy: 0.9871766743670587
Energy: 0.9662353824776226
Energy: 1.0469576844595165
Energy: 0.9602904573144908
Energy: 1.046957684462085
Energy: 0.9083565922867873
Energy: 1.048142530852907
Energy: 0.9659424408352915
Energy: 1.0481425308520511
Energy: 0.9652284105269046
Energy: 0.9852255537472183
Energy: 0.9390619051228736
Energy: 0.9852255537540672
Energy: 0.9070431963528941
Energy: 0.9895670278311431
Energy: 0.8754782170944739
Energy: 0.9895670278277188
Energy: 0.873113185692818
Energy: 0.8730084738360903
Energy: 0.9090982539216896
Energy: 0.8730084738300977
Energy: 0.8732845604121962
Energy: 0.8733269757667192
Energy: 0.8374026137102147
Energy: 0.873326975772712
Energy: 0.8382934937437261
Energy: 0.8901006822958328
Energy: 0.8914921894734655
Energy: 0.8901006822958328
Energy: 0.906996416495755
Energy: 0.8756035610027763
Energy: 0.8744072128032095
Energy: 0.8756035610053445
Energy: 0.8938054878128588
Energy: 0.8945917844221971
Energy: 0.8743077409742736
Energy: 0.8945917844204849
Energy: 0.8939820953572888
Energy: 0.8757642557775246
Energy: 0.8945305011760186
Energy: 0.875764255788654
Energy: 0.8740209865406023
Energy: 0.8727448398369579
Energy: 0.8740467879863519
Energy: 0.8727448398403823
Energy: 0.8748694891974713
Energy: 0.8736215070775841
Energy: 0.8740354503565222
Energy: 0.8736215070827208
Energy: 0.9375145051549321
Energy: 0.9898008843758497
Energy: 0.9677385694278787
Energy: 0.9898008843792743
Energy: 0.9389236472792215
Energy: 0.9876561707685412
Energy: 0.9066024402653832
Energy: 0.9876561707702535
Energy: 0.9662997924688125
Energy: 1.0478135094700887
Energy: 0.9598991021693939
Energy: 1.0478135094718009
Energy: 0.9069870272743987
Energy: 1.0471342774428891
Energy: 0.967475496759878
Energy: 1.0471342774394647
Energy: 0.9650481712465019
Energy: 0.9852816057096099
Energy: 0.9761494900909943
Energy: 0.9852816057087538
Energy: 0.9668122823687395
Energy: 0.9860092117379372
Energy: 0.8755368427429184
Energy: 0.9860092117345128
Energy: 0.8725593016206218
Energy: 0.8729588691250258
Energy: 0.9072080341810906
Energy: 0.8729588691216015
Energy: 0.8735226272293067
Energy: 0.8732695613621275
Energy: 0.8370081705786011
Energy: 0.8732695613569909
Energy: 0.8382483648962016
Energy: 0.8895100262950846
Energy: 0.8901778202814505
Energy: 0.8895100262942285

minimum gb energy = 0.8370081705786011 eV
minimum distance =  2.28362549401715 Angstroms
sigma value = 25


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

Energy: 1.4251271881725942
Energy: 0.889275116984381
Energy: 0.9481433840858307
Energy: 0.9479365127161232
Energy: 1.0041499929839723
Energy: 0.9902511732958413
Energy: 0.9291660642820181
Energy: 0.9902511732958413
Energy: 0.9479964877668539
Energy: 0.9466807682092118
Energy: 0.9296394631196634
Energy: 0.9466807682092118
Energy: 0.9484444725775588
Energy: 0.9294979168315243
Energy: 0.9292304287147416
Energy: 0.929497916830529
Energy: 0.9289806383208232
Energy: 0.929142940626941
Energy: 0.9291413019628374
Energy: 0.9291429406279137
Energy: 0.9312720068552068
Energy: 1.0590901306773628
Energy: 0.9289153963424707
Energy: 1.059090130678358
Energy: 1.0093855628075836
Energy: 1.0648552151832889
Energy: 1.0071533857426336
Energy: 1.0648552151822936
Energy: 1.0105570615999375
Energy: 1.0654297687279624
Energy: 0.8986270540234058
Energy: 1.0654297687279624
Energy: 1.0089141976891303
Energy: 1.0640965316039823
Energy: 1.0285238411722493
Energy: 1.0640965316029871
Energy: 0.9316019680043376
Energy: 1.0644516210960762
Energy: 0.9295657384782631
Energy: 1.064451621095081
Energy: 0.8828962585294573
Energy: 0.9301097625749163
Energy: 0.9282596716489706
Energy: 0.9301097625749163
Energy: 0.8819264190235586
Energy: 0.9292793040339018
Energy: 0.9288116813586778
Energy: 0.9292793040339018
Energy: 0.9439695405791921
Energy: 0.9432599583052005
Energy: 0.8829820438646941
Energy: 0.9432599583052005
Energy: 0.9491112714183493
Energy: 0.9313250168245683
Energy: 0.9737174675881384
Energy: 0.9313250168235729
Energy: 0.928896764814541
Energy: 0.9489114451059333
Energy: 0.9489982992794339
Energy: 0.9489114451049381
Energy: 0.9495690058224845
Energy: 0.9320480399456922
Energy: 0.948497150165971
Energy: 0.9320480399456922
Energy: 0.9301710143066559
Energy: 0.9301005043295253
Energy: 0.9286983849173838
Energy: 0.9301005043275348
Energy: 0.9293540454695199
Energy: 0.9293983164335751
Energy: 0.9314390980250515
Energy: 0.9293983164305897
Energy: 1.0072162596184489
Energy: 1.0645290131665324
Energy: 1.008720974041306
Energy: 1.0645290131665324
Energy: 0.8999364880437297
Energy: 1.0643711929780462
Energy: 1.0080207432418076
Energy: 1.0643711929800368
Energy: 1.0275255062248199
Energy: 1.0638359098055887
Energy: 1.009498417407385
Energy: 1.0638359098045933
Energy: 0.9747004961996495
Energy: 1.063854682652607
Energy: 0.9315732201239653
Energy: 1.0638546826516118
Energy: 0.9298266873276767
Energy: 0.9304329257577537
Energy: 0.8822844088209226
Energy: 0.9304329257547681
Energy: 0.9290442900619122
Energy: 0.9296833571820377
Energy: 0.881951449475951
Energy: 0.9296833571800472
Energy: 0.8830029877706238
Energy: 0.9429497232928049
Energy: 0.943343387479039
Energy: 0.9429497232938001

minimum gb energy = 0.8819264190235586 eV
minimum distance =  2.28565664751702 Angstroms
sigma value = 9


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

Energy: 1.3257906506711488
Energy: 0.9413429445216475
Energy: 1.0092145616955008
Energy: 1.0083486074408388
Energy: 1.0693305426763886
Energy: 1.0491253677299195
Energy: 1.0109854254777682
Energy: 1.049125367733454
Energy: 1.008586194057507
Energy: 1.0033305269864052
Energy: 1.0126014626926287
Energy: 1.0033305269852182
Energy: 1.001650846227915
Energy: 1.048747886014985
Energy: 1.0196979667730388
Energy: 1.048747886013798
Energy: 1.0174775252508264
Energy: 1.0004826792361003
Energy: 0.996917663737477
Energy: 1.0004826792384747
Energy: 0.9966360991367579
Energy: 0.9974273590455519
Energy: 0.996900671200077
Energy: 0.9974273590419903
Energy: 1.055045821655729
Energy: 1.1426036763525738
Energy: 1.0198845386296966
Energy: 1.1426036763525738
Energy: 1.0196801266591233
Energy: 1.1470911515773712
Energy: 0.9965915529823288
Energy: 1.1470911515773712
Energy: 0.9955867227440846
Energy: 1.0004580720938954
Energy: 0.9307540438662445
Energy: 1.000458072097457
Energy: 1.0212584854173465
Energy: 0.9997910898015886
Energy: 0.9304291739817733
Energy: 0.9997910898027758
Energy: 0.9307867776454505
Energy: 1.001564921679983
Energy: 1.001599636728989
Energy: 1.001564921679983
Energy: 1.0703353467269812
Energy: 0.9988060591537464
Energy: 1.010857882481705
Energy: 0.998806059151372
Energy: 1.010712392229951
Energy: 1.0108380122541951
Energy: 1.0102976374758383
Energy: 1.0108380122553824
Energy: 1.0009538112529097
Energy: 1.0002695212256394
Energy: 1.008640829786995
Energy: 1.0002695212268267
Energy: 1.017286578497507
Energy: 0.999580342518004
Energy: 0.9975052605975905
Energy: 0.9995803425215657
Energy: 0.9990449127302587
Energy: 1.000235334866205
Energy: 0.9971190177980787
Energy: 1.0002353348626434
Energy: 1.0563535851498502
Energy: 1.14261677330633
Energy: 1.0199979097122156
Energy: 1.1426167733075174
Energy: 1.05764602987091
Energy: 1.1429689442776283
Energy: 0.9975280312223488
Energy: 1.1429689442788153
Energy: 0.9973131247199474
Energy: 1.0004178655549574
Energy: 0.930397569542014
Energy: 1.000417865557332
Energy: 0.996794713332121
Energy: 0.9994859050332845
Energy: 0.9302684726291451
Energy: 0.9994859050332845
Energy: 0.9308169327600053
Energy: 1.001312367151079
Energy: 1.0006401136011887
Energy: 1.0013123671522663

minimum gb energy = 0.9302684726291451 eV
minimum distance =  2.29024841393919 Angstroms
sigma value = 25


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

Energy: 1.1940094131841636
Energy: 0.9976504082098536
Energy: 1.0806008668302576
Energy: 1.0793129206914052
Energy: 1.0724229188436716
Energy: 1.0751530718371745
Energy: 1.0813508530490383
Energy: 1.0751530718371745
Energy: 1.0698684925389377
Energy: 1.0705900999603923
Energy: 1.0826933036823683
Energy: 1.0705900999618605
Energy: 1.0694916176622722
Energy: 1.0754311947471167
Energy: 1.0159186118677161
Energy: 1.0754311947456485
Energy: 1.0141308765968309
Energy: 1.1635194505867028
Energy: 1.0161654926761625
Energy: 1.1635194505867028
Energy: 0.9895511042679308
Energy: 1.16483156002246
Energy: 1.014659648124668
Energy: 1.1648315600239283
Energy: 0.985182365647273
Energy: 1.0162220663210044
Energy: 1.0164007866818106
Energy: 1.0162220663224726
Energy: 0.985214167999939
Energy: 1.075531248784085
Energy: 1.0159565323310755
Energy: 1.075531248784085
Energy: 1.0694848486125907
Energy: 1.0694141588421138
Energy: 1.1488588710735794
Energy: 1.0694141588406456
Energy: 1.0806512518657974
Energy: 0.9905901147478182
Energy: 1.159563666431587
Energy: 0.9905901147463501
Energy: 1.0814750200017356
Energy: 1.0807301065493855
Energy: 1.0803328899919766
Energy: 1.0807301065508539
Energy: 1.0749317318887743
Energy: 1.0693018891662482
Energy: 1.070374490749943
Energy: 1.06930188916478
Energy: 1.0155506424142253
Energy: 1.1663636577990517
Energy: 1.0148070867775396
Energy: 1.1663636577990517
Energy: 1.0161688046191693
Energy: 1.0158899597711706
Energy: 1.0693018172910578
Energy: 1.0158899597711706
Energy: 1.016284350574885
Energy: 1.0153544469979399
Energy: 0.9849875856379466
Energy: 1.0153544469964717
Energy: 1.0157145746744085
Energy: 1.1635798201199363
Energy: 0.9850966470201274
Energy: 1.1635798201199363
Energy: 1.156465323074962
Energy: 1.068672262930147
Energy: 1.0678372791711153
Energy: 1.068672262930147

minimum gb energy = 0.9849875856379466 eV
minimum distance =  2.2983471219824 Angstroms
sigma value = 17


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

Energy: 1.5781026101225974
Energy: 1.1079595520133494
Energy: 1.163407542461412
Energy: 1.1624450594883013
Energy: 1.083667794817691
Energy: 1.0662036218103268
Energy: 1.1653667057613615
Energy: 1.066203621808664
Energy: 1.0659728337951726
Energy: 1.0659753399567105
Energy: 1.1645206334943952
Energy: 1.0659753399558787
Energy: 1.065524675350513
Energy: 1.0669353016196428
Energy: 1.105712281089757
Energy: 1.0669353016204743
Energy: 1.2158367891017976
Energy: 1.1927786202387805
Energy: 1.1283919673474654
Energy: 1.1927786202379491
Energy: 1.066256342822989
Energy: 1.160419486283464
Energy: 1.065053628387421
Energy: 1.1604194862859585
Energy: 1.093990501839619
Energy: 1.0643633822283485
Energy: 1.064833198818684
Energy: 1.06436338222918
Energy: 1.220228638065621
Energy: 1.064029240003947
Energy: 1.0658201819498148
Energy: 1.06402924000561
Energy: 1.166636685903519
Energy: 1.1669272515186648
Energy: 1.1621539043205849
Energy: 1.1669272515194964
Energy: 1.1535679567836954
Energy: 1.1534549935776153
Energy: 1.165401195614585
Energy: 1.1534549935784468
Energy: 1.2105365863980615
Energy: 1.0519196848427255
Energy: 1.0509129004063673
Energy: 1.0519196848385681
Energy: 1.1532371658131004
Energy: 1.0841961183753328
Energy: 1.0817362261461736
Energy: 1.0841961183736697
Energy: 1.094456209979286
Energy: 1.0857164065458174
Energy: 1.0822417822743096
Energy: 1.0857164065449858
Energy: 1.0942729277046672
Energy: 1.0840158259947292
Energy: 1.0519568874810081
Energy: 1.0840158259938977
Energy: 1.1530038084677858
Energy: 1.152723033719601
Energy: 1.2207810850821679
Energy: 1.1527230337212642
Energy: 1.1669235845853658
Energy: 1.1529530760935534
Energy: 1.2215939502457247
Energy: 1.1529530760943851
Energy: 1.1617844410093345
Energy: 1.064730761526878
Energy: 1.0647214542702363
Energy: 1.0647307615260464
Energy: 1.1612440986064048
Energy: 1.0646940446856734
Energy: 1.062898976593121
Energy: 1.0646940446856734
Energy: 1.0647343284597364
Energy: 1.192831276318211
Energy: 1.065206921519148
Energy: 1.1928312763173794
Energy: 1.137177942109255
Energy: 1.1482525291607988
Energy: 1.0652304537010133
Energy: 1.1482525291607988
Energy: 1.064577224404499
Energy: 1.0652814312220573
Energy: 1.2081768183445747
Energy: 1.0652814312228889
Energy: 1.065377276691216
Energy: 1.0678020105655477
Energy: 1.0939785388990566
Energy: 1.0678020105655477
Energy: 1.1654383369252028
Energy: 1.1536310701048773
Energy: 1.165388273123254
Energy: 1.1536310701040458
Energy: 1.1625350525042772
Energy: 1.1544073698138908
Energy: 1.159137140434427
Energy: 1.1544073698138908
Energy: 1.0830896138772559
Energy: 1.0841756452961115
Energy: 1.1610154979621463
Energy: 1.084175645293617
Energy: 1.0835157038929395
Energy: 1.0842410759128591
Energy: 1.064465748371692
Energy: 1.0842410759128591
Energy: 1.051047962957926
Energy: 1.0548305764516859
Energy: 1.095202704993338
Energy: 1.054830576450023
Energy: 1.0823719861618597
Energy: 1.0850843732467645
Energy: 1.094376433077009
Energy: 1.0850843732467645
Energy: 1.0834162558185905
Energy: 1.0663649178140457
Energy: 1.0942133533205332
Energy: 1.066364917814877
Energy: 1.2216478532994148
Energy: 1.1556515088741444
Energy: 1.152922764472283
Energy: 1.1556515088733128

minimum gb energy = 1.0509129004063673 eV
minimum distance =  2.28106792606569 Angstroms
sigma value = 53


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

Energy: 1.4314567918177186
Energy: 1.0305794442930842
Energy: 1.1352859065191168
Energy: 1.1339506638845371
Energy: 1.20715657014315
Energy: 1.117265709810199
Energy: 1.117597941300725
Energy: 1.117265709810199
Energy: 1.1175674579558492
Energy: 1.1199191828819663
Energy: 1.132906487513785
Energy: 1.1199191828800519
Energy: 1.1173246432171924
Energy: 1.09337980104152
Energy: 1.1147761989866152
Energy: 1.09337980104152
Energy: 1.134470225820597
Energy: 1.0923686245129032
Energy: 1.0175811532019803
Energy: 1.092368624510989
Energy: 1.1152320692368582
Energy: 1.094224477370809
Energy: 1.0418085484847974
Energy: 1.0942244773746377
Energy: 1.2029707283204012
Energy: 1.1170880755468755
Energy: 1.1178836951809357
Energy: 1.1170880755411325
Energy: 1.2027745942354209
Energy: 1.11549087067128
Energy: 1.1141910908089903
Energy: 1.1154908706693658
Energy: 1.1184868515722086
Energy: 1.1181673199157447
Energy: 1.131963541079502
Energy: 1.118167319917659
Energy: 1.115466298610621
Energy: 1.1163329072646344
Energy: 1.118530566389774
Energy: 1.1163329072646344
Energy: 1.1347557362967569
Energy: 1.0970830014172692
Energy: 1.0173381437014137
Energy: 1.0970830014115263
Energy: 1.117204894335727
Energy: 1.0922946494430807
Energy: 1.0180410909841207
Energy: 1.0922946494430807
Energy: 1.2028118758869193
Energy: 1.1155314853697753
Energy: 1.1136670954064283
Energy: 1.1155314853716898

minimum gb energy = 1.0173381437014137 eV
minimum distance =  2.28305881775618 Angstroms
sigma value = 9


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

Energy: 1.4041511364209636
Energy: 1.1598295667830965
Energy: 1.2288205640711116
Energy: 1.2270574051121044
Energy: 1.0924313910976493
Energy: 1.085708001463013
Energy: 1.2202135040828876
Energy: 1.0857080014623044
Energy: 1.084200513673675
Energy: 1.0888461592229577
Energy: 1.2954586098714707
Energy: 1.0888461592229577
Energy: 1.0936727103788308
Energy: 1.087504775688244
Energy: 1.2215425593417737
Energy: 1.0875047756875358
Energy: 1.0870497795158514
Energy: 1.0856518166937514
Energy: 1.2615069097663483
Energy: 1.0856518166930431
Energy: 1.0877734795983982
Energy: 1.086039269169102
Energy: 1.2619306083508732
Energy: 1.0860392691733531
Energy: 1.2202217786060137
Energy: 1.2047220832505252
Energy: 1.2199440313861252
Energy: 1.204722083251942
Energy: 1.2251165178210923
Energy: 1.2038401562404748
Energy: 1.2048140538879815
Energy: 1.2038401562411831
Energy: 1.1136745706238191
Energy: 1.2758940415053
Energy: 1.1322629289848813
Energy: 1.2758940413679116
Energy: 1.0910344818192221
Energy: 1.2856573626634062
Energy: 1.20718635746989
Energy: 1.285657362664115
Energy: 1.110700568682488
Energy: 1.110909171944526
Energy: 1.1450372171235368
Energy: 1.110909171944526
Energy: 1.1123385247221158
Energy: 1.1129143388542462
Energy: 1.2629024115213887
Energy: 1.112914338852829
Energy: 1.2175094640675577
Energy: 1.1113569654496278
Energy: 1.1317970018335706
Energy: 1.111356965451045
Energy: 1.2184323672786008
Energy: 1.1125266944292513
Energy: 1.1126454214409387
Energy: 1.1125266944278343
Energy: 1.2035803831671374
Energy: 1.130035967596211
Energy: 1.1122875375128707
Energy: 1.1300359678433558
Energy: 1.144500608881149
Energy: 1.239058088035128
Energy: 1.1329581607400985
Energy: 1.2390580882284894
Energy: 1.2097201034416556
Energy: 1.1768105929195065
Energy: 1.1135710226971438
Energy: 1.1768105929159636
Energy: 1.2042755746687692
Energy: 1.205780561941825
Energy: 1.3959191740816637
Energy: 1.2057805619389907
Energy: 1.2211987744703068
Energy: 1.2039745808605584
Energy: 1.0934279938573235
Energy: 1.203974580857016
Energy: 1.317170256535197
Energy: 1.0899977862067958
Energy: 1.084265022481476
Energy: 1.0899977862067958
Energy: 1.2205490288766148
Energy: 1.0868416877475273
Energy: 1.0885529553133015
Energy: 1.086841687748236
Energy: 1.2623417262476007
Energy: 1.0850860829059186
Energy: 1.085595856784434
Energy: 1.0850860829045015
Energy: 1.262710405444782
Energy: 1.0868235267023971
Energy: 1.0875643974568805
Energy: 1.086823526703814
Energy: 1.221281871261624
Energy: 1.2044645926953095
Energy: 1.218957131484395
Energy: 1.2044645926959858
Energy: 1.2050762366255658
Energy: 1.2037681012124952
Energy: 1.22688786864003
Energy: 1.2037681012124952
Energy: 1.1595983907196061
Energy: 1.229317668304246
Energy: 1.1126208582568193
Energy: 1.2293176683340037
Energy: 1.2083534501888382
Energy: 1.2812519465356327
Energy: 1.090345005595759
Energy: 1.2812519465384664
Energy: 1.144335749792667
Energy: 1.1114537627631484
Energy: 1.1115502985607746
Energy: 1.1114537627631484
Energy: 1.262018304356403
Energy: 1.1247864722856968
Energy: 1.1124174806988556
Energy: 1.1247864722849883
Energy: 1.1315465039743002
Energy: 1.1113122055653935
Energy: 1.217788432400713
Energy: 1.1113122055661022
Energy: 1.1142837617361447
Energy: 1.113021556004879
Energy: 1.204381993054572
Energy: 1.1130215560062962
Energy: 1.1125687391694044
Energy: 1.1150517584775665
Energy: 1.204000312255134
Energy: 1.1150517584761495
Energy: 1.1305010972523584
Energy: 1.249259449893716
Energy: 1.1450132335673993
Energy: 1.2492594498951328
Energy: 1.1122293127190257
Energy: 1.1782410066053752
Energy: 1.1506068815660884
Energy: 1.1782410066032496
Energy: 1.2650332153723274
Energy: 1.2051492184753345
Energy: 1.2107646917325279
Energy: 1.2051492184767516

minimum gb energy = 1.084200513673675 eV
minimum distance =  2.27214466020808 Angstroms
sigma value = 73


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

Energy: 1.33846086043947
Energy: 1.088271441959653
Energy: 1.164519204032948
Energy: 1.16117421782828
Energy: 1.1015960991009537
Energy: 1.247658176682089
Energy: 1.1787064650291643
Energy: 1.247658176682089
Energy: 1.081146945314898
Energy: 1.0844203475280445
Energy: 1.18297528078023
Energy: 1.0844203475269205
Energy: 1.0830040223092012
Energy: 1.0890406626718279
Energy: 1.2447985386631135
Energy: 1.0890406626718279
Energy: 1.0858111498506298
Energy: 1.0877004832049928
Energy: 1.2441973676394844
Energy: 1.0877004832049928
Energy: 1.0828551991542958
Energy: 1.0888183168023247
Energy: 1.2436998057844162
Energy: 1.0888183168034489
Energy: 1.175817064505631
Energy: 1.16136776184269
Energy: 1.182059632219264
Energy: 1.16136776184269
Energy: 1.1731610499231808
Energy: 1.1593500477984842
Energy: 1.158715857505724
Energy: 1.15935004779736
Energy: 1.160580872732013
Energy: 1.2847873249133996
Energy: 1.161288420324991
Energy: 1.2847873307528639
Energy: 1.092485957614975
Energy: 1.2852741366672036
Energy: 1.161015466427081
Energy: 1.285274136651466
Energy: 1.158089545270358
Energy: 1.1596462249276382
Energy: 1.073044173068267
Energy: 1.1596462249265143
Energy: 1.181025017255496
Energy: 1.1622373778955715
Energy: 1.2455368203651336
Energy: 1.1622373778944477
Energy: 1.1590115316613032
Energy: 1.0873808059498018
Energy: 1.0828847945467408
Energy: 1.0873808059486778
Energy: 1.1806538199338303
Energy: 1.0882950824460114
Energy: 1.0883516836561722
Energy: 1.0882950824448874
Energy: 1.2441523044312006
Energy: 1.0862091631829662
Energy: 1.0822404012275513
Energy: 1.0862091631829662
Energy: 1.244966417648967
Energy: 1.0904067814018743
Energy: 1.0840203171166687
Energy: 1.0904067814018743
Energy: 1.2441191523227735
Energy: 1.2924685878416775
Energy: 1.08310072613937
Energy: 1.2924685878416775
Energy: 1.1783306277729528
Energy: 1.1788616434931491
Energy: 1.180031220664026
Energy: 1.1788616434931491
Energy: 1.1595363532135723
Energy: 1.1610211677473605
Energy: 1.174354238827403
Energy: 1.1610211677462363
Energy: 1.1608070820327598
Energy: 1.173948539934669
Energy: 1.16122416046309
Energy: 1.1739485399335448
Energy: 1.1595791188585198
Energy: 1.2989980679542774
Energy: 1.0969525811781282
Energy: 1.2989980674688602
Energy: 1.2472451171483525
Energy: 1.1602029852666678
Energy: 1.159464697001095
Energy: 1.1602029852655438

minimum gb energy = 1.073044173068267 eV
minimum distance =  2.27051439956246 Angstroms
sigma value = 7


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

Energy: 1.847059887383712
Energy: 1.1450974135482987
Energy: 1.216096326258685
Energy: 1.2155885300736962
Energy: 1.0889648942394097
Energy: 1.1680949962916933
Energy: 1.2570038108229902
Energy: 1.168094996287755
Energy: 1.1023415258064737
Energy: 1.1010274254575756
Energy: 1.2371573926511181
Energy: 1.1010274254559858
Energy: 1.1082212803561518
Energy: 1.1085468446776594
Energy: 1.256430453514896
Energy: 1.1085468446784543
Energy: 1.0972279728911187
Energy: 1.0961568546941844
Energy: 1.248530651891433
Energy: 1.0961568546910052
Energy: 1.1427560941656083
Energy: 1.0962476071962346
Energy: 1.2484343029348277
Energy: 1.0962476071970295
Energy: 1.263656363335416
Energy: 1.0990614028966497
Energy: 1.1099907706811134
Energy: 1.0990614028982395
Energy: 1.262965660665007
Energy: 1.0959138267785322
Energy: 1.095563748981372
Energy: 1.0959138267785322
Energy: 1.2475649617304334
Energy: 1.1094060289092653
Energy: 1.109597342847709
Energy: 1.1094060289132397
Energy: 1.247765449899058
Energy: 1.3325632538467715
Energy: 1.098658155870059
Energy: 1.3325632531849292
Energy: 1.2456751263138384
Energy: 1.193009583478484
Energy: 1.1364839667978084
Energy: 1.1930095834800738
Energy: 1.1929135268147715
Energy: 1.1952982172088789
Energy: 1.2660454733199213
Energy: 1.195298217208084
Energy: 1.1977881038928457
Energy: 1.1964599714642496
Energy: 1.1419905605697769
Energy: 1.1964599714515316
Energy: 1.1935286937603018
Energy: 1.1974619365573784
Energy: 1.130012460833483
Energy: 1.1974619365541987
Energy: 1.1936939728832663
Energy: 1.239792633614688
Energy: 1.1341488244175628
Energy: 1.239792633614688
Energy: 1.2669886772945762
Energy: 1.0979109534771947
Energy: 1.1443479481818413
Energy: 1.0979109534835176
Energy: 1.2664695124441268
Energy: 1.0943406315333932
Energy: 1.2298774108161636
Energy: 1.0943406315325985
Energy: 1.1201597943889103
Energy: 1.2593240541345565
Energy: 1.2522314363936973
Energy: 1.2593240519321376
Energy: 1.1377368862717128
Energy: 1.2455873104949478
Energy: 1.225760190322654
Energy: 1.245587310498922
Energy: 1.1179697371344877
Energy: 1.1188041786714917
Energy: 1.2232176611755141
Energy: 1.1188041786754659
Energy: 1.1700494541260764
Energy: 1.1220713566284586
Energy: 1.2483305326500376
Energy: 1.1220713566292537
Energy: 1.263288908749945
Energy: 1.0993937540295184
Energy: 1.2275227162508953
Energy: 1.0993937540311083
Energy: 1.2633347420019867
Energy: 1.099578492679094
Energy: 1.1006393724181027
Energy: 1.0995784926806838
Energy: 1.2034380284326824
Energy: 1.1104923322883737
Energy: 1.1103195857549355
Energy: 1.1104923322828097
Energy: 1.2481789386403233
Energy: 1.1028380461460994
Energy: 1.1036222257673056
Energy: 1.1028380461421248
Energy: 1.2497612653034005
Energy: 1.320827351154011
Energy: 1.1006265861544284
Energy: 1.320827351154011
Energy: 1.1705742694697112
Energy: 1.171943762725088
Energy: 1.612118905520155
Energy: 1.1719437627195237
Energy: 1.1709913047466258
Energy: 1.1703152301598316
Energy: 1.101144740033751
Energy: 1.1703152301590372
Energy: 1.2020477527468216
Energy: 1.1862529603698164
Energy: 1.1719942903927791
Energy: 1.1862529603674319
Energy: 1.1690620471724034
Energy: 1.3040022194174918
Energy: 1.130173018762203
Energy: 1.304002219415107
Energy: 1.2235387081137505
Energy: 1.1682140611549057
Energy: 1.1709811549677127
Energy: 1.1682140611572904

minimum gb energy = 1.0889648942394097 eV
minimum distance =  2.22863696422791 Angstroms
sigma value = 29


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

Energy: 1.0477134598983764
Energy: 1.0492945804650404
Energy: 1.0455960465106935
Energy: 1.1428064015491621
Energy: 1.0302913331338912
Energy: 1.1195391906838292
Energy: 1.0468230339711926
Energy: 1.1195391906827523
Energy: 1.0436364300333563
Energy: 1.1262917816485294
Energy: 1.0398549454581538
Energy: 1.1262917816476983
Energy: 1.0327217029993243
Energy: 1.0441506565426057
Energy: 1.0433357604072364
Energy: 1.0441506565426057
Energy: 1.0427188518365123
Energy: 1.0457223339313446
Energy: 1.031125836485522
Energy: 1.0457223339313446
Energy: 1.0426309530778317
Energy: 1.1228424903793055
Energy: 1.0345580683359006
Energy: 1.1228424903790288
Energy: 1.0405898134995284
Energy: 1.126677169789859
Energy: 1.0430276268570842
Energy: 1.1266771697893356
Energy: 1.0470893655915183
Energy: 1.0463046949444081
Energy: 1.0308872942732177
Energy: 1.046304694944162
Energy: 1.0300402611193848
Energy: 1.048554684302594
Energy: 1.0482725526226861
Energy: 1.0485546843020401

minimum gb energy = 1.0300402611193848 eV
minimum distance =  2.21214692237886 Angstroms
sigma value = 5


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

Energy: 1.4691426365906057
Energy: 0.9945805254652055
Energy: 1.1495031829820412
Energy: 1.0135931918151968
Energy: 1.0922953113728546
Energy: 1.0115323738055926
Energy: 1.163505846235818
Energy: 1.0115323738003366
Energy: 1.1698552708341448
Energy: 1.1002028980752354
Energy: 1.1823441767274119
Energy: 1.1002028980834948
Energy: 1.1092795606414916
Energy: 1.186680730950109
Energy: 1.1578109048825702
Energy: 1.186680730946355
Energy: 1.1650555977101107
Energy: 1.0148441608664325
Energy: 1.1047620794928583
Energy: 1.0148441608664325
Energy: 1.018745386581594
Energy: 1.015371079338301
Energy: 1.103178789718406
Energy: 1.0153710793360484
Energy: 1.013644190616835
Energy: 1.011656009225176
Energy: 1.1571733618949889
Energy: 1.0116560092296811
Energy: 1.0113481876480799
Energy: 1.0133849771107515
Energy: 1.2356287811251228
Energy: 1.0133849771084988
Energy: 1.237923855123595
Energy: 1.0433892128328557
Energy: 1.220128346667053
Energy: 1.043389212831354
Energy: 1.2655684063079005
Energy: 0.9916259366132215
Energy: 0.9923428922790033
Energy: 0.9916259366139724
Energy: 1.1436068933984629
Energy: 0.9895342490049335
Energy: 0.9891962745118245
Energy: 0.9895342490034319
Energy: 1.2217844457201839
Energy: 0.9938250854955983
Energy: 0.996330873645481
Energy: 0.9938250854948474
Energy: 1.2300409614077574
Energy: 0.9910899760054958
Energy: 1.0118322648850107
Energy: 0.9910899760062466
Energy: 1.1446596509239826
Energy: 1.1553551307726435
Energy: 1.2369235721663105
Energy: 1.1553551307718926
Energy: 1.0673697148926362
Energy: 0.9825082522881066
Energy: 1.2206934804002512
Energy: 0.9825082522881066
Energy: 1.0585813347229416
Energy: 0.9778137166871603
Energy: 1.0366272614290803
Energy: 0.9778137166894129
Energy: 1.0649577487225164
Energy: 0.9790828321113245
Energy: 1.038906809124825
Energy: 0.9790828321158296
Energy: 1.2017426955772776
Energy: 0.9766872642203546
Energy: 1.033695187491412
Energy: 0.9766872642188529
Energy: 1.2428186556038778
Energy: 1.0712042813345917
Energy: 1.0352352591757117
Energy: 1.071204281344353
Energy: 1.1961085952293997
Energy: 1.0238843060381237
Energy: 1.1132681471930632
Energy: 1.0238843060343696
Energy: 1.1037640281924361
Energy: 1.0223225417553694
Energy: 1.0400637761256786
Energy: 1.0223225417591235
Energy: 1.1062654692795642
Energy: 1.020367208389096
Energy: 1.0214757344422811
Energy: 1.020367208399608
Energy: 1.2543880393234144
Energy: 1.0211959724690252
Energy: 1.021062462429126
Energy: 1.02119597246452
Energy: 1.2379947949762464
Energy: 1.023040355905177
Energy: 1.0243544744013713
Energy: 1.0230403559066787
Energy: 1.2247910685432186
Energy: 1.0495916343744696
Energy: 1.042506149277845
Energy: 1.0495916343789404
Energy: 0.9857725243812444
Energy: 0.9845874837852451
Energy: 1.281085355412848
Energy: 0.9845874837859959
Energy: 0.9827246981509451
Energy: 0.9829464408991031
Energy: 1.0436687070903437
Energy: 0.9829464408968506
Energy: 0.984809058634084
Energy: 0.9834793455741341
Energy: 1.0860219054705693
Energy: 0.9834793455726666
Energy: 0.9852648052941612
Energy: 0.9838620863458184
Energy: 1.2447118030675604
Energy: 0.9838620863428149
Energy: 1.2363648685998172
Energy: 1.0460525886484582
Energy: 1.0450321576405166
Energy: 1.0460525886447378
Energy: 1.2387954520497335
Energy: 1.0149621628965613
Energy: 1.0152667362399304
Energy: 1.0149621628950594
Energy: 1.157856995917588
Energy: 1.0146694654101087
Energy: 1.0146784585758843
Energy: 1.0146694654123614
Energy: 1.025424206005448
Energy: 1.0107181075355514
Energy: 1.0127895418465118
Energy: 1.010718107526541

minimum gb energy = 0.9766872642188529 eV
minimum distance =  2.17920417894463 Angstroms
sigma value = 1


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

Energy: 1.4429759760858691
Energy: 0.92465745947227
Energy: 1.1082578789207544
Energy: 0.9556293065957311
Energy: 0.9907277855574876
Energy: 0.9552561548174885
Energy: 1.160300568600231
Energy: 0.9552561548247323
Energy: 1.1570604335086574
Energy: 1.0707963294654397
Energy: 1.1629872210947727
Energy: 1.0707963294654397
Energy: 0.9845991632117369
Energy: 1.07058869120765
Energy: 1.1582457611197943
Energy: 1.0705886912159557
Energy: 0.9617526784834494
Energy: 0.9562522396661891
Energy: 1.165596670388989
Energy: 0.9562522396651508
Energy: 0.956562118887284
Energy: 0.9579828928324687
Energy: 1.1591755277065359
Energy: 0.9579828928241868
Energy: 0.9536833794125125
Energy: 0.9534005058164615
Energy: 1.1595760828849482
Energy: 0.9534005058216525
Energy: 0.9552978782368314
Energy: 0.9561376905462989
Energy: 1.3503734632416953
Energy: 0.9561376905442227
Energy: 1.1574750457165286
Energy: 1.004407565032429
Energy: 1.3259577307669714
Energy: 1.004407565032429
Energy: 1.1893305664559806
Energy: 0.9559606209619813
Energy: 0.9568128135340866
Energy: 0.9559606209630195
Energy: 1.1596537946155012
Energy: 0.9525374047061246
Energy: 0.9517058842011411
Energy: 0.9525374047040482
Energy: 1.3168524596209605
Energy: 0.9571286173533339
Energy: 0.9596844648615054
Energy: 0.9571286173502194
Energy: 1.3184571098896154
Energy: 0.9538789075607653
Energy: 0.9613643621728885
Energy: 0.953878907558689
Energy: 1.1555188741720694
Energy: 1.0706614338562346
Energy: 1.1722218705046226
Energy: 1.0706614338531202
Energy: 0.9879730262009827
Energy: 1.070025419379426
Energy: 1.159552579381614
Energy: 1.070025419378388
Energy: 0.986975575054106
Energy: 1.0704066911622165
Energy: 1.1541810606212317
Energy: 1.070406691170522
Energy: 0.9570890957483068
Energy: 0.9540527391898906
Energy: 1.1663234568715626
Energy: 0.9540527391898906
Energy: 0.9547867096378116
Energy: 0.9554528403249454
Energy: 1.1544532178443954
Energy: 0.9554528403218309
Energy: 0.9532894543529887
Energy: 0.9538239119946328
Energy: 1.3266190038182197
Energy: 0.9538239119925563
Energy: 0.960227039058313
Energy: 0.9592648057664167
Energy: 1.322058401147856
Energy: 0.9592648044620115
Energy: 1.1591495570155284
Energy: 0.9611687339426374
Energy: 1.1553327546001457
Energy: 0.961168733945752
Energy: 1.166268910591031
Energy: 0.9572234413942557
Energy: 0.9552673224902627
Energy: 0.957223441395294
Energy: 1.1607681834843329
Energy: 0.9587092701767991
Energy: 0.9602105279559715
Energy: 0.9587092701799137
Energy: 1.3446050783171923
Energy: 0.9537183678190174
Energy: 0.9542929044206372
Energy: 0.9537183678179791

minimum gb energy = 0.92465745947227 eV
minimum distance =  2.19578103269608 Angstroms
sigma value = 17


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

Energy: 1.5322745795165797
Energy: 0.9193634859807862
Energy: 1.1099464644618904
Energy: 0.9420344942984885
Energy: 0.9669417295353884
Energy: 0.942225218328784
Energy: 1.0704552271679462
Energy: 0.9422252183275006
Energy: 1.1748713053046878
Energy: 0.9402816237510735
Energy: 1.0831594974866274
Energy: 0.9402816237491484
Energy: 1.1935592323989226
Energy: 0.995258085707037
Energy: 1.0752998658115265
Energy: 0.9952580857019035
Energy: 1.044673165550768
Energy: 0.9173423302745756
Energy: 1.2954149760052642
Energy: 0.9173423302732923
Energy: 0.9186862847325069
Energy: 0.9187286426934411
Energy: 1.288918287271056
Energy: 0.9187286426895911
Energy: 0.9182738146749858
Energy: 0.9180108475822752
Energy: 1.0718020491689793
Energy: 0.9180108475835586
Energy: 0.9194189472640282
Energy: 0.9180895114598993
Energy: 1.4229114197736887
Energy: 0.9180895114586158
Energy: 1.2784537427572709
Energy: 0.9185816288605855
Energy: 1.171464193634358
Energy: 0.9185816288605855
Energy: 1.0949973397450312
Energy: 0.9925338557722108
Energy: 1.0715126476365915
Energy: 0.9925338557657939
Energy: 1.2807104210032556
Energy: 0.9373409448934258
Energy: 0.9553543419259763
Energy: 0.9373409448940674
Energy: 1.2796254813924575
Energy: 0.9428808130703491
Energy: 1.0762637275060662
Energy: 0.942880813072274
Energy: 1.2838274573160444
Energy: 0.9368245723838016
Energy: 0.937677094633725
Energy: 0.9368245723838016
Energy: 1.0899086131654072
Energy: 0.9416921874702184
Energy: 0.944223752775446
Energy: 0.9416921874715019
Energy: 1.2035122280883623
Energy: 0.9418332312598509
Energy: 0.9428478276366896
Energy: 0.9418332312611343
Energy: 1.3959436174216746
Energy: 0.9407107064183985
Energy: 1.0927177941393078
Energy: 0.9407107064177568
Energy: 0.9482608537821021
Energy: 0.9416777412844151
Energy: 1.3260928515733736
Energy: 0.9416777412837735
Energy: 0.939121915385641
Energy: 0.9375741219604766
Energy: 1.2024414197882762
Energy: 0.9375741219617599
Energy: 0.9411890907183025
Energy: 0.9407412247500053
Energy: 1.1698844676162383
Energy: 0.9407412247487219
Energy: 0.9428041483460855
Energy: 0.9380057380787992
Energy: 1.4244366087783125
Energy: 0.9380057380807242
Energy: 1.075209697637804
Energy: 0.9419181621809942
Energy: 1.0493257029336112
Energy: 0.9419181621822775
Energy: 1.075792592529224
Energy: 1.1411310800006675
Energy: 1.1794987157939598
Energy: 1.1411310800025924
Energy: 1.0651077590524332
Energy: 0.9950839648201414
Energy: 1.203499040031771
Energy: 0.9950839648220665
Energy: 1.2948807330465462
Energy: 0.9173472668228521
Energy: 1.0503672182633632
Energy: 0.9173472668241355
Energy: 1.2779736875472032
Energy: 0.9204416650974606
Energy: 0.9252632426699732
Energy: 0.9204416651006689
Energy: 1.070821912504935
Energy: 0.9175103539098665
Energy: 0.9173802609255997
Energy: 0.9175103539111499
Energy: 1.4232838537855501
Energy: 0.9190973879245165
Energy: 0.9219188737221155
Energy: 0.9190973879232331
Energy: 1.066920597193587
Energy: 0.9897473395216012
Energy: 1.2834430345640333
Energy: 0.9897473395209596
Energy: 1.0739910752822353
Energy: 0.9972065790670442
Energy: 1.086293826620775
Energy: 0.9972065790664026
Energy: 0.9578008338134353
Energy: 0.9376671383521357
Energy: 1.1965139309987853
Energy: 0.9376671383572692
Energy: 1.0767876224047586
Energy: 0.9378342128961235
Energy: 1.2979001604632505
Energy: 0.9378342128961235
Energy: 0.9385354732897169
Energy: 0.9371478251303466
Energy: 1.2886049624680234
Energy: 0.9371478251329134
Energy: 0.9400422949856918
Energy: 0.9379665239827375
Energy: 1.0901708539302348
Energy: 0.9379665239808125
Energy: 0.9413420329447248
Energy: 0.94131383059805
Energy: 1.1855124880849233
Energy: 0.941313830596125
Energy: 1.0949692941397382
Energy: 0.9397991958259607
Energy: 1.383744671770108
Energy: 0.9397991958246774
Energy: 1.390428454905404
Energy: 0.9416650425405882
Energy: 0.9452621460574233
Energy: 0.9416650425425134
Energy: 1.2001239462408742
Energy: 0.9373085862503483
Energy: 0.9369586599066736
Energy: 0.9373085862503483
Energy: 1.1728034866438508
Energy: 0.941695104390488
Energy: 0.9437844748962336
Energy: 0.941695104390488

minimum gb energy = 0.9173423302732923 eV
minimum distance =  2.25269529812702 Angstroms
sigma value = 89


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

Energy: 1.609448886594825
Energy: 0.8610710817299208
Energy: 1.0467604412204303
Energy: 0.8600278740449607
Energy: 0.8592180497409722
Energy: 0.9461682551248446
Energy: 0.8605283938106745
Energy: 0.9461682551265234
Energy: 0.8553435026923065
Energy: 0.9460877069567858
Energy: 0.8601027340085474
Energy: 0.9460877069584649
Energy: 0.8540487189690004
Energy: 0.9442815211883909
Energy: 0.8581546302690563
Energy: 0.9442815211883909
Energy: 0.8572631724954676
Energy: 0.8549500336563095
Energy: 0.8608273784500612
Energy: 0.8549500336563095
Energy: 0.8548816005802374
Energy: 0.8570641438253953
Energy: 0.8609903477352683
Energy: 0.8570641438270742
Energy: 0.8537629333403239
Energy: 0.854511705790776
Energy: 0.8593266192971503
Energy: 0.854511705790776
Energy: 0.8580784013422688
Energy: 0.8568456992047956
Energy: 0.8586686677710824
Energy: 0.8568456992031166
Energy: 0.8635490125817459
Energy: 0.85741275284521
Energy: 0.8506545941840754
Energy: 0.8574127528435312
Energy: 0.8658865869165738
Energy: 0.945068218472751
Energy: 0.8641578892826478
Energy: 0.9450682184744301
Energy: 0.8607576938003664
Energy: 0.9459244352297146
Energy: 0.8497899427859896
Energy: 0.9459244352297146
Energy: 0.8626478519021057
Energy: 0.8573039411094223
Energy: 0.863699041806299
Energy: 0.8573039411094223
Energy: 0.8694229173630046
Energy: 0.8557046699586499
Energy: 0.8553925069450051
Energy: 0.855704669956971
Energy: 0.8584653353135344
Energy: 0.8562416045559494
Energy: 0.8584775255276375
Energy: 0.8562416045559494
Energy: 0.8574004575519986
Energy: 0.8549201766435389
Energy: 0.8547343799283894
Energy: 0.8549201766435389

minimum gb energy = 0.8497899427859896 eV
minimum distance =  2.23504855169102 Angstroms
sigma value = 13


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

Energy: 1.5084009797656184
Energy: 0.798069344693832
Energy: 1.01889573594705
Energy: 0.8062305064702204
Energy: 1.1578656011075659
Energy: 0.8039866971073629
Energy: 0.9463134618843052
Energy: 0.8039866971179188
Energy: 1.3638786247819958
Energy: 0.8003829582848647
Energy: 0.9432377829456007
Energy: 0.80038295828205
Energy: 1.1524661826508864
Energy: 0.8047099940595764
Energy: 0.9377642140192183
Energy: 0.8047099940609839
Energy: 1.0988315369173833
Energy: 0.9703535690325008
Energy: 1.2610969857106191
Energy: 0.9703535690317971
Energy: 0.9520357274055343
Energy: 0.8053563439783441
Energy: 1.2525470283655904
Energy: 0.8053563439797515
Energy: 0.9422517462333301
Energy: 0.8027092766957218
Energy: 1.0820745346627119
Energy: 0.8027092766893883
Energy: 0.9211580183998193
Energy: 0.8053425972426984
Energy: 1.0741422000992669
Energy: 0.8053425972363651
Energy: 0.8091906431559653
Energy: 0.8071220830760762
Energy: 1.211052468716431
Energy: 0.80712208307678
Energy: 0.8025819731724587
Energy: 0.8020260789650551
Energy: 1.091094870762657
Energy: 0.8020260789713886
Energy: 0.8076422478179588
Energy: 0.8050293978865186
Energy: 1.5185266004059492
Energy: 0.8050293978851112
Energy: 1.191922883360402
Energy: 0.9689154647793594
Energy: 1.090718935876045
Energy: 0.9689154647800632
Energy: 1.1956207388322888
Energy: 0.9669027907939298
Energy: 1.1295044356410398
Energy: 0.9669027907890037
Energy: 1.043790501937884
Energy: 0.972054958352715
Energy: 1.144765357621938
Energy: 0.9720549583520113
Energy: 1.0730492780770522
Energy: 0.7889127880222457
Energy: 1.083558935553701
Energy: 0.7889127880243247
Energy: 1.0733788095815893
Energy: 0.7888697794940643
Energy: 0.8570161405721951
Energy: 0.788869779497583
Energy: 1.1198928397013788
Energy: 0.7882924921634692
Energy: 0.8612589538262199
Energy: 0.7882924921669877
Energy: 1.3260281657388833
Energy: 0.791809472556022
Energy: 0.8631536574769333
Energy: 0.791809472551096
Energy: 1.052755199328912
Energy: 0.7898460439155057
Energy: 0.9942470108212924
Energy: 0.7898460439035426
Energy: 1.12213866873179
Energy: 0.7891678419232819
Energy: 1.0141146727194157
Energy: 0.7891678419345094
Energy: 1.1847867224100657
Energy: 0.7948662989929053
Energy: 0.990818283522283
Energy: 0.7948662990055402
Energy: 1.1229168013534077
Energy: 0.9557326596100408
Energy: 1.2548540735473508
Energy: 0.9557326596107444
Energy: 0.9395943881771598
Energy: 0.9579554436556779
Energy: 1.2595875126865808
Energy: 0.9579554436620114
Energy: 0.8799288485972956
Energy: 0.9541543373245581
Energy: 1.083869376754042
Energy: 0.954154337342151
Energy: 0.8863802051202687
Energy: 0.8025777221143261
Energy: 1.0740079331760646
Energy: 0.8025777221086965
Energy: 0.8016534645376298
Energy: 0.8014192394820029
Energy: 1.0733532491207718
Energy: 0.8014192394827065
Energy: 0.8019765317265128
Energy: 0.8011721431442468
Energy: 1.0874814392766743
Energy: 0.8011721431442468
Energy: 0.8112496382112583
Energy: 0.8036882773613117
Energy: 1.3891210769955118
Energy: 0.8036882773676131
Energy: 1.1930108519967242
Energy: 0.8034883951650644
Energy: 1.0751972344505618
Energy: 0.8034883951706941
Energy: 1.022141614932761
Energy: 0.8541599808631586
Energy: 1.080360456068072
Energy: 0.8541599808575288
Energy: 1.0944604583853228
Energy: 0.854440748212474
Energy: 1.1893176738539255
Energy: 0.8544407482159927
Energy: 1.0731063176902051
Energy: 0.8021572552245685
Energy: 1.0806685877227273
Energy: 0.8021572552287908
Energy: 1.0735442222608038
Energy: 0.8043013351151819
Energy: 0.8049922422667726
Energy: 0.8043013351165574
Energy: 1.0965930222520395
Energy: 0.8014772609546045
Energy: 0.803266478718224
Energy: 0.8014772609553082
Energy: 1.078677224244656
Energy: 0.7996277515034927
Energy: 0.8012998125750804
Energy: 0.799627751497863

minimum gb energy = 0.7882924921634692 eV
minimum distance =  2.22938938350797 Angstroms
sigma value = 37


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

Energy: 1.3863152601361006
Energy: 0.7307198058692935
Energy: 0.7435976429864556
Energy: 0.7436894239050598
Energy: 1.1953892538903639
Energy: 0.7423530380251173
Energy: 0.9733643125602337
Energy: 0.7423530380251173
Energy: 1.2734755227959969
Energy: 0.7394831305444569
Energy: 0.9725328501037004
Energy: 0.7394831305456677
Energy: 1.2830047938819502
Energy: 0.8332122100609742
Energy: 0.9585132892916096
Energy: 0.8332122100573421
Energy: 1.1784265160388
Energy: 0.7253512967171044
Energy: 1.07051758009434
Energy: 0.7253512967158937
Energy: 0.9528394233293758
Energy: 0.7245822760024244
Energy: 1.0849398309943974
Energy: 0.7245822760036351
Energy: 0.8447754614264849
Energy: 0.7262421948170518
Energy: 1.1723338648708819
Energy: 0.7262421948170518
Energy: 0.953923217646438
Energy: 0.7245299213800984
Energy: 1.1972117657536285
Energy: 0.7245299213813092
Energy: 0.8438868816644358
Energy: 0.7208041507834579
Energy: 1.2777039200136602
Energy: 0.7208041507822472
Energy: 0.8361760912833688
Energy: 0.720717144089242
Energy: 1.172962711667833
Energy: 0.7207171440904528
Energy: 0.8824989516690221
Energy: 0.881829354123794
Energy: 1.2375408304490125
Energy: 0.881829354123794
Energy: 1.0615406963815384
Energy: 0.720348488824741
Energy: 1.1731666537459227
Energy: 0.7203484888283731
Energy: 1.0638247501100109
Energy: 0.7197273481289976
Energy: 1.273712624294652
Energy: 0.7197273481265762
Energy: 1.1788458444618672
Energy: 0.8168286052527164
Energy: 1.2740976646766196
Energy: 0.8168286052515056
Energy: 1.0705175800955506
Energy: 0.821147151292698
Energy: 1.1725102421330105
Energy: 0.821147151292698
Energy: 1.0849398306700624
Energy: 0.8177112465224472
Energy: 0.9703316409919536
Energy: 0.8177112465200257
Energy: 1.1787371773783337
Energy: 0.8158761901595518
Energy: 0.8442166407429167
Energy: 0.8158761901583412
Energy: 1.1972117657512071
Energy: 0.7469311189220597
Energy: 0.7212956376074322
Energy: 0.746931118920849
Energy: 1.2777039200172922
Energy: 0.7439474493218599
Energy: 0.7409421244187071
Energy: 0.7439474493206492
Energy: 1.1862444442537992
Energy: 0.7426869483181945
Energy: 0.7446461259796477
Energy: 0.7426869483181945

minimum gb energy = 0.7197273481265762 eV
minimum distance =  2.23912066891019 Angstroms
sigma value = 25


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

Energy: 1.4704739428938327
Energy: 0.6421387953993937
Energy: 0.6418607660671317
Energy: 0.6372718025280376
Energy: 1.3167500069454428
Energy: 0.6351282090388575
Energy: 0.823528421866005
Energy: 0.6351282090398027
Energy: 1.3167946290105033
Energy: 0.6359511790925784
Energy: 0.8221428063283585
Energy: 0.6359511790916329
Energy: 1.0054150784798146
Energy: 0.6379307381455885
Energy: 1.0114975131132335
Energy: 0.6379307381455885
Energy: 1.3231433440969085
Energy: 0.7117899314381783
Energy: 1.1768759555694868
Energy: 0.7117899314391238
Energy: 0.9969437413905506
Energy: 0.7115151131506736
Energy: 1.1619417930613227
Energy: 0.7115151131497282
Energy: 0.9993567743616769
Energy: 0.7117467582467127
Energy: 1.176055808366595
Energy: 0.7117467582448219
Energy: 1.0223453424210862
Energy: 0.6380750167867559
Energy: 1.1681071742662703
Energy: 0.6380750167858105
Energy: 0.830864424353724
Energy: 0.6357521061100512
Energy: 1.3316685133570094
Energy: 0.6357521061100512
Energy: 0.8217565283943227
Energy: 0.6368496679149044
Energy: 1.3254919356893877
Energy: 0.6368496679149044
Energy: 0.6373698163994618
Energy: 0.642191485673222
Energy: 1.2490582069151663
Energy: 0.6421914856713312
Energy: 0.6400779384039622
Energy: 0.636918025061051
Energy: 1.3257707533394032
Energy: 0.636918025061051
Energy: 0.6377381833307645
Energy: 0.6355908596431306
Energy: 1.3166937829072696
Energy: 0.6355908596450214
Energy: 0.8295444446489514
Energy: 0.6400876064607244
Energy: 1.3320785803224149
Energy: 0.640087606459779
Energy: 0.8240096129806179
Energy: 0.6354789159337629
Energy: 1.3275989386685216
Energy: 0.6354789159318722
Energy: 0.8220378513493901
Energy: 0.6391897745441328
Energy: 1.321632145716663
Energy: 0.6391897745450782
Energy: 1.1698076734534488
Energy: 0.6360587835087071
Energy: 1.3306264934859688
Energy: 0.6360587835087071
Energy: 0.8195293524793267
Energy: 0.712531295836889
Energy: 1.1629063414160883
Energy: 0.7125312958378343
Energy: 1.161281169646844
Energy: 0.7123812983743043
Energy: 0.999380798689822
Energy: 0.7123812983752499
Energy: 1.3255960658346637
Energy: 0.7107029199028146
Energy: 0.9975320920377928
Energy: 0.7107029199047055
Energy: 1.193312124916016
Energy: 0.6398883706768219
Energy: 0.8284482644890543
Energy: 0.6398883706777675
Energy: 1.3307385537690701
Energy: 0.6348381664477787
Energy: 0.6359388019049513
Energy: 0.6348381664468331
Energy: 1.3267313064784072
Energy: 0.6403687795891656
Energy: 0.818946305235703
Energy: 0.6403687795882201
Energy: 1.1718488899331272
Energy: 0.6392757321364089
Energy: 0.6443622470576361
Energy: 0.6392757321382997
Energy: 1.3230801959251621
Energy: 0.635154506598017
Energy: 0.636086797028448
Energy: 0.635154506598017
Energy: 1.3183944872931281
Energy: 0.6378220556141604
Energy: 0.640707655719735
Energy: 0.6378220556141604

minimum gb energy = 0.6348381664468331 eV
minimum distance =  2.26278886377477 Angstroms
sigma value = 41


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

Energy: 1.6260075230599804
Energy: 0.5793542182874482
Energy: 0.8565829989175162
Energy: 0.5761215310245662
Energy: 1.4224595010482948
Energy: 0.5741981965292969
Energy: 0.7298828566293398
Energy: 0.5741981965285219
Energy: 1.4148064047266837
Energy: 0.5723965948447092
Energy: 0.7293574690140068
Energy: 0.5723965948454842
Energy: 1.1505277740824906
Energy: 0.5758255160815038
Energy: 1.0248196838747257
Energy: 0.5758255160822789
Energy: 1.4169738822614282
Energy: 0.5705634547587427
Energy: 1.0194109328548726
Energy: 0.5705634547602929
Energy: 1.1465487867750412
Energy: 0.817776393781997
Energy: 1.0119875073366562
Energy: 0.817776393781997
Energy: 1.1494978233023863
Energy: 0.6358267964631861
Energy: 1.2831256780605027
Energy: 0.6358267964647363
Energy: 1.1526648487480504
Energy: 0.6395992148918436
Energy: 1.025872206120489
Energy: 0.6395992148902934
Energy: 0.8726809283647702
Energy: 0.5709478420393793
Energy: 1.2831949252594663
Energy: 0.5709478420386043
Energy: 0.8731036326439121
Energy: 0.5709495327169424
Energy: 1.4194152837507366
Energy: 0.5709495327169424
Energy: 0.7346169007447537
Energy: 0.5781743720725966
Energy: 1.3107011181616983
Energy: 0.5781743720725966
Energy: 0.7275042191367033
Energy: 0.5710465207888341
Energy: 1.420080186406464
Energy: 0.5710465207880591
Energy: 0.7381615267606066
Energy: 0.5750870400661123
Energy: 1.5439836393036555
Energy: 0.5750870400653373
Energy: 0.5804442879468066
Energy: 0.5763902983251802
Energy: 1.2916383421941322
Energy: 0.57639029832363
Energy: 0.5727098486667982
Energy: 0.5723540657511407
Energy: 1.4170052375037796
Energy: 0.5723540657519156
Energy: 0.5730135612198463
Energy: 0.5738842736071792
Energy: 1.4174535932811085
Energy: 0.5738842736064041
Energy: 0.7414309510758729
Energy: 0.5771026554352006
Energy: 1.4225640100952286
Energy: 0.5771026554352006
Energy: 0.7273113425052503
Energy: 0.57121425421082
Energy: 1.4176413424258973
Energy: 0.5712142542131453
Energy: 0.727057885636458
Energy: 0.5730457985510938
Energy: 1.149409467772802
Energy: 0.5730457985495436
Energy: 1.015038646565271
Energy: 0.5740281819842854
Energy: 1.1463865594331855
Energy: 0.5740281819835102
Energy: 1.037535991030405
Energy: 0.5717050539971341
Energy: 1.2813291018088597
Energy: 0.571705053994809
Energy: 1.0178067937695185
Energy: 0.637859919318637
Energy: 1.1597087309735727
Energy: 0.637859919320187
Energy: 1.2804240044540012
Energy: 0.6331573300684226
Energy: 1.1442761364270313
Energy: 0.6331573300699728
Energy: 1.0207482328211754
Energy: 0.6383130555242578
Energy: 1.0220865809530684
Energy: 0.6383130555242578
Energy: 1.2849196578045803
Energy: 0.5715669082153554
Energy: 0.8892617443727292
Energy: 0.5715669082145802
Energy: 1.286988121109862
Energy: 0.5735235147899673
Energy: 1.0143253777039318
Energy: 0.5735235147907424
Energy: 1.2902598400905785
Energy: 0.5728188368240406
Energy: 0.7297701031169148
Energy: 0.5728188368248156
Energy: 1.416711824778072
Energy: 0.8604064406152384
Energy: 0.7353311316333041
Energy: 0.8604064406144634
Energy: 1.2907673955134393
Energy: 0.5725447742141238
Energy: 0.730847706409335
Energy: 0.5725447742148989
Energy: 1.2849805487022936
Energy: 0.5719998379786699
Energy: 0.5738923554232874
Energy: 0.5719998379778948
Energy: 1.41711429246288
Energy: 0.5720962533629174
Energy: 0.5746393130997921
Energy: 0.5720962533629174
Energy: 1.4223810925594984
Energy: 0.5723502961132024
Energy: 0.5745172842025142
Energy: 0.5723502961155276

minimum gb energy = 0.5705634547587427 eV
minimum distance =  2.27148747946901 Angstroms
sigma value = 15


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

Energy: 1.4008206284119025
Energy: 0.5310279216828986
Energy: 0.8210496305109896
Energy: 0.5297541682820252
Energy: 1.4895428480468582
Energy: 0.5249375272125599
Energy: 0.6583124186149083
Energy: 0.5249375272099335
Energy: 1.4829191051776647
Energy: 0.5241434009622997
Energy: 0.662259469387249
Energy: 0.5241434009649262
Energy: 1.2685999678217383
Energy: 0.5276523232573859
Energy: 0.9183234108069172
Energy: 0.5276523232593557
Energy: 1.4848122610491536
Energy: 0.52178848002855
Energy: 0.9066359736491743
Energy: 0.52178848002855
Energy: 1.2518035972311758
Energy: 0.5230833348776142
Energy: 0.9037495077102926
Energy: 0.5230833348782707
Energy: 1.0183166438500026
Energy: 0.5244690855363492
Energy: 1.1373080571508398
Energy: 0.5244690855389755
Energy: 1.1420494356739042
Energy: 0.5764909619486247
Energy: 0.9028652160219869
Energy: 0.5764909619446851
Energy: 1.015651122075457
Energy: 0.5756865078581206
Energy: 1.1348862327062759
Energy: 0.5756865078581206
Energy: 1.0159831574157816
Energy: 0.7522435561362336
Energy: 1.3690540652168897
Energy: 0.7522435561349202
Energy: 0.9099338018592508
Energy: 0.5253850246133411
Energy: 1.1569225922878859
Energy: 0.525385024615311
Energy: 0.7818532541610475
Energy: 0.521976918392025
Energy: 1.3692550292014485
Energy: 0.521976918392025
Energy: 0.9021960463633025
Energy: 0.5233529838633523
Energy: 1.366688978147897
Energy: 0.523352983865322
Energy: 0.6734460466298401
Energy: 0.5270775280279474
Energy: 1.1460285396455272
Energy: 0.5270775280299173
Energy: 0.665752483256095
Energy: 0.5222600958162951
Energy: 1.4858478083232987
Energy: 0.5222600958169517
Energy: 0.667147914723942
Energy: 0.5253818320587521
Energy: 1.3723348876022003
Energy: 0.5253818320580955
Energy: 0.5285990035652641
Energy: 0.526077822163772
Energy: 1.3799786532129865
Energy: 0.5260778221624588
Energy: 0.523586871652328
Energy: 0.5226670790188696
Energy: 1.4849459383367913
Energy: 0.5226670790168998
Energy: 0.5308772958445208
Energy: 0.5276387902535451
Energy: 1.2539954160533227
Energy: 0.5276387902542017
Energy: 0.6589421464304338
Energy: 0.528628275848512
Energy: 1.4861563454714861
Energy: 0.5286282758471988
Energy: 0.6565782348409414
Energy: 0.5223614174122049
Energy: 1.485943303791505
Energy: 0.5223614174089218
Energy: 0.6597977849404746
Energy: 0.5269460450013939
Energy: 1.257728713957224
Energy: 0.5269460450046768
Energy: 0.9017749124400847
Energy: 0.5242083679538604
Energy: 1.2498360265634632
Energy: 0.5242083679551737
Energy: 0.9029007081797468
Energy: 0.522423729099502
Energy: 1.3703150103369612
Energy: 0.5224237291001586
Energy: 0.9109602292765854
Energy: 0.526028981376728
Energy: 1.0355411476928684
Energy: 0.5260289813773846
Energy: 1.1348204923829148
Energy: 0.7524126729565416
Energy: 1.3673631900653014
Energy: 0.7524126729585114
Energy: 0.9008838185415179
Energy: 0.5754538508351303
Energy: 1.1357126248738856
Energy: 0.5754538508357869
Energy: 1.1395989623833491
Energy: 0.5756515540781948
Energy: 1.032725581404524
Energy: 0.5756515540808212
Energy: 1.138907921804133
Energy: 0.5237779376880758
Energy: 1.139182553465289
Energy: 0.5237779376847927
Energy: 1.1387492940747597
Energy: 0.523251912857421
Energy: 0.908714623395124
Energy: 0.5232519128587342
Energy: 1.3718787750587675
Energy: 0.5217866599463377
Energy: 0.7852739089336753
Energy: 0.5217866599489642
Energy: 1.1410134430910828
Energy: 0.5264518766868234
Energy: 0.9196729227456628
Energy: 0.5264518766868234
Energy: 1.3693508941947554
Energy: 0.5239989929353243
Energy: 0.6642768635986458
Energy: 0.5239989929320412
Energy: 1.487155432497439
Energy: 0.5242689321267134
Energy: 0.6615341721980672
Energy: 0.5242689321260569
Energy: 1.3844554638175004
Energy: 0.5293410831206525
Energy: 0.5266421971146265
Energy: 0.5293410831272186
Energy: 1.4868661761102588
Energy: 0.5254607960750329
Energy: 0.525939888495248
Energy: 0.5254607960743763
Energy: 1.481299229290562
Energy: 0.524128571199581
Energy: 0.5254906163687363
Energy: 0.5241285711989244

minimum gb energy = 0.5217866599463377 eV
minimum distance =  2.27109665610124 Angstroms
sigma value = 85


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

Energy: 1.500379644249676
Energy: 0.48155600337096743
Energy: 0.4725230796961343
Energy: 0.46872086595285695
Energy: 1.5173988301218762
Energy: 0.4701499264831197
Energy: 0.5863752879177306
Energy: 0.4701499264836892
Energy: 1.316174816862051
Energy: 0.4695640239654866
Energy: 0.5890925712495902
Energy: 0.4695640239654866
Energy: 1.1065642681824526
Energy: 0.47380056425158795
Energy: 0.8261832248223017
Energy: 0.473800564250449
Energy: 1.4182278349451998
Energy: 0.4674048207261256
Energy: 0.8092286755173457
Energy: 0.4674048207249867
Energy: 1.108606335846047
Energy: 0.46876955538019316
Energy: 0.8038237938550667
Energy: 0.4687695553824711
Energy: 1.1124718951205268
Energy: 0.46967268199648887
Energy: 1.019683508666304
Energy: 0.46967268199705836
Energy: 1.2152760772335836
Energy: 0.4677293667965517
Energy: 0.8030767446015304
Energy: 0.4677293667976906
Energy: 1.114494355905415
Energy: 0.4676058073894435
Energy: 1.0102668365729195
Energy: 0.46760580739286034
Energy: 1.1147473315743694
Energy: 0.5613701415787213
Energy: 1.2147714271191392
Energy: 0.5613701415798602
Energy: 1.0199410390540797
Energy: 0.5629923427141224
Energy: 1.0257248645443378
Energy: 0.5629923427146919
Energy: 0.909592046213974
Energy: 0.467634786828218
Energy: 1.2162760708398748
Energy: 0.467634786828218
Energy: 1.0096774111498903
Energy: 0.4678366050694893
Energy: 1.2147024581190164
Energy: 0.46783660506891983
Energy: 0.8159923209691088
Energy: 0.47101599387061077
Energy: 1.0026240912084585
Energy: 0.47101599387004134
Energy: 0.6985546069215374
Energy: 0.4676773891013405
Energy: 1.417688280086684
Energy: 0.4676773891013405
Energy: 0.8074561873770222
Energy: 0.47114935490579557
Energy: 1.2134886340755575
Energy: 0.47114935490408716
Energy: 0.5947856779148374
Energy: 0.4683738904611279
Energy: 1.2114443833835402
Energy: 0.4683738904611279
Energy: 0.585280427371992
Energy: 0.46803926323916906
Energy: 1.519255082701549
Energy: 0.46803926323973855
Energy: 0.5994807344352253
Energy: 0.4702256143749978
Energy: 1.4176552541639647
Energy: 0.4702256143749978
Energy: 0.46816587897081213
Energy: 0.47239350192348356
Energy: 1.417207318734374
Energy: 0.47239350192291407
Energy: 0.4689514773900266
Energy: 0.4679586238193473
Energy: 1.519828847647181
Energy: 0.4679586238187778
Energy: 0.4698069972437667
Energy: 0.4701547928925977
Energy: 1.314165831228258
Energy: 0.4701547928920282
Energy: 0.5881776226994919
Energy: 0.47058606475710646
Energy: 1.5211145636130532
Energy: 0.47058606475710646
Energy: 0.5841119402382379
Energy: 0.46783980678330656
Energy: 1.5220366227964879
Energy: 0.46783980678216763
Energy: 0.6044626777289152
Energy: 0.46806524151720913
Energy: 1.1172987371450167
Energy: 0.4680652415177786
Energy: 0.8023085608710063
Energy: 0.4685401349192086
Energy: 1.5178374603871625
Energy: 0.4685401349197781
Energy: 0.8010154731871827
Energy: 0.4676599685581473
Energy: 1.3162087026063787
Energy: 0.4676599685587168
Energy: 0.9203128861072273
Energy: 0.47224698560586853
Energy: 1.121228961234356
Energy: 0.47224698560529904
Energy: 1.0149125184643795
Energy: 0.46747921440274454
Energy: 1.3215168458586013
Energy: 0.46747921440445295
Energy: 1.0081218746869745
Energy: 0.4678929660648544
Energy: 1.1108045066512688
Energy: 0.46789296606257647
Energy: 1.2188114643006798
Energy: 0.5616860202629756
Energy: 0.9024677104096389
Energy: 0.5616860202629756
Energy: 1.0150832460401078
Energy: 0.5619581586502743
Energy: 1.2186998155689366
Energy: 0.5619581586519826
Energy: 1.2150073017157104
Energy: 0.46777412902410065
Energy: 0.9039179233022275
Energy: 0.46777412902410065
Energy: 1.4171320456019543
Energy: 0.467499686675698
Energy: 0.9024064043736995
Energy: 0.46749968667683695
Energy: 1.0163726471043586
Energy: 0.47166833423636423
Energy: 0.8314106456090703
Energy: 0.47166833423636423
Energy: 1.4178320999999707
Energy: 0.46763941665800995
Energy: 0.8014544335830803
Energy: 0.46763941665857944
Energy: 1.4185650086933268
Energy: 0.46881047591632885
Energy: 0.8023454423320787
Energy: 0.4688104759151899
Energy: 1.230195706517693
Energy: 0.4683340851736993
Energy: 0.6042089040905209
Energy: 0.4683340851736993
Energy: 1.521263252356962
Energy: 0.4677460883942884
Energy: 0.5884244543866362
Energy: 0.4677460883937189
Energy: 1.4201814460684037
Energy: 0.4684107694136418
Energy: 0.5911599877904163
Energy: 0.4684107694136418
Energy: 1.2089167021866911
Energy: 0.46910021770171517
Energy: 0.46847034099245827
Energy: 0.46910021770057625
Energy: 1.5195831248289275
Energy: 0.46785528338523436
Energy: 0.4681111853236397
Energy: 0.4678552833858038
Energy: 1.3181802893402041
Energy: 0.4683493715948387
Energy: 0.4686011220837096
Energy: 0.46834937159540824

minimum gb energy = 0.4674048207249867 eV
minimum distance =  2.26740489858072 Angstroms
sigma value = 113


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

Energy: 0.01467319931212258
Energy: 0.015363497215105737
Energy: 1.2140556843543056
Energy: 0.4611602512524576
Energy: 0.0153265199030664
Energy: 0.1111972310437899
Energy: 0.8578938941320181
Energy: 0.11119723104250087
Energy: 0.015327728661455563
Energy: 0.11167084365251279
Energy: 0.8566748270341465
Energy: 0.11167084365166155
Energy: 0.016306995316852677
Energy: 0.1132145040414908
Energy: 0.8602251476901467
Energy: 0.11321450404063955
Energy: 0.857684689497496
Energy: 0.11223948164625842
Energy: 0.859246101509356
Energy: 0.11223948164710966
Energy: 0.023601233737089954
Energy: 0.11172971831021433
Energy: 0.8563763745795867
Energy: 0.11172971831021433

minimum gb energy = 0.01467319931212258 eV
minimum distance =  2.53463473084819 Angstroms
sigma value = 1