Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
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=[1.475574238557954e-21, 2.72985263607456e-20, 4.9647448446075e-20, 6.895640058605279e-20, 1.0447393286155498e-19, 1.5573220969545358e-19, 2.2250868875328598e-19, 3.4502072724872997e-19, 4.70389446682596e-19, 5.834518473907079e-19, 6.764165444019241e-19, 7.526641304139839e-19, 8.18148293798832e-19, 8.76962595856338e-19, 9.29055766934214e-19, 9.73665170954676e-19, 1.010173969913634e-18, 1.0385100658625578e-18, 1.059114057375798e-18, 1.0733109445296719e-18, 1.082757377963736e-18, 1.0886309575039798e-18, 1.091745588880476e-18, 1.092684464388e-18, 1.091644651752534e-18, 1.087994893380282e-18, 1.081392323471568e-18, 1.071758435371326e-18, 1.05895063535913e-18, 1.042722188233344e-18, 1.0226709476588338e-18, 9.97702626994578e-19, 9.660436167067378e-19, 9.255005369833679e-19, 8.73373720196178e-19, 8.063706933622979e-19, 7.20737556628266e-19, 6.11203148868222e-19, 4.696364236646159e-19, 2.83543607625516e-19, 3.38062474127268e-20, -3.05890767316548e-19, -7.681956307039799e-19, -1.3917723897165838e-18, -2.2275221960165398e-18, -3.34645031366946e-18, -4.88785638794184e-18, -7.0981231416102e-18, -1.034400482796348e-17, -1.4992752375047158e-17, -2.1454426870567197e-17, -3.10817460466098e-17, -4.68854561467224e-17, -7.327042139076119e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017352319147513767
Energy: 1.7123066188841776
Energy: 2.9997795748992275
Energy: 0.017702784199981267
Energy: 1.712306581092124
Energy: 0.2651556157132046
Energy: 1.6643810885642694
Energy: 0.2651556157140322
Energy: 2.9724670897290735
Energy: 1.6643800192505673
Energy: 2.078878704752035
Energy: 1.6643803560622505
Energy: 0.017702784199153738
Energy: 0.2651556157140322
Energy: 1.6643774250624237
Energy: 0.2651556157140322

minimum gb energy = 0.017352319147513767 eV
minimum distance =  2.67878060381533 Angstroms
sigma value = 1


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

Energy: 3.1556028651990298
Energy: 1.4732923209276543
Energy: 1.6215854433284491
Energy: 1.6367524281355725
Energy: 2.9342228269283055
Energy: 1.5083131424609586
Energy: 1.5050674957519468
Energy: 1.5083131424609586
Energy: 2.9225361881698784
Energy: 1.4753827511736848
Energy: 1.4744756726662378
Energy: 1.4753827511726811
Energy: 2.9217658236473114
Energy: 1.476114662941065
Energy: 1.4741690771375162
Energy: 1.476114662941065
Energy: 2.9159974932155297
Energy: 2.0185810136670943
Energy: 1.8965298950129008
Energy: 2.0185810136691016
Energy: 2.958852678858471
Energy: 1.8366284259321495
Energy: 1.915840084621415
Energy: 1.836628425933153
Energy: 2.479948493948366
Energy: 1.9690938944437504
Energy: 1.962430507184947
Energy: 1.969093894444754
Energy: 2.4830100590984983
Energy: 1.8413186915650424
Energy: 1.892899546167366
Energy: 1.8413186915650424
Energy: 2.4725679912810667
Energy: 2.0349298828473987
Energy: 2.2726575596317873
Energy: 2.034929882848402
Energy: 2.5081063722687795
Energy: 1.978265952429961
Energy: 2.48126034180272
Energy: 1.9782659524289576
Energy: 2.5165817375228032
Energy: 1.9855406449319588
Energy: 2.397285652818294
Energy: 1.9855406449329627
Energy: 1.8953066679281303
Energy: 1.8587370233625045
Energy: 2.489610089422271
Energy: 1.8587370233625045
Energy: 2.0324682793890574
Energy: 2.0396064544087262
Energy: 2.477842743405549
Energy: 2.0396064544077226
Energy: 1.8874170907914738
Energy: 1.8540902264655106
Energy: 2.951447772366605
Energy: 1.8540902264655106
Energy: 1.8731647266271578
Energy: 1.4750126422349408
Energy: 2.6421740110369947
Energy: 1.4750126422339374
Energy: 1.4756980142298979
Energy: 1.492583201941525
Energy: 2.896946179272177
Energy: 1.492583201941525
Energy: 1.4745424006727983
Energy: 1.4719141152105437
Energy: 2.9453852072513533
Energy: 1.4719141152105437
Energy: 1.4758633806231982
Energy: 1.524243583654824
Energy: 2.941582720029133
Energy: 1.5242435836558277
Energy: 1.5187473735675288
Energy: 1.4750491104144914
Energy: 2.779591097517049
Energy: 1.4750491104104768
Energy: 1.6217536007173183
Energy: 1.6675553085200627
Energy: 2.8967005659173237
Energy: 1.66755530852207
Energy: 1.6476111587705364
Energy: 1.613925745315245
Energy: 2.9515771454936193
Energy: 1.613925745315245
Energy: 1.622024876735005
Energy: 1.6137087185759398
Energy: 2.7834501630048054
Energy: 1.6137087185769432
Energy: 1.6233981780794313
Energy: 1.7391865695862028
Energy: 2.4840425380429725
Energy: 1.7391865695862028
Energy: 2.212424085506918
Energy: 1.9796316090502935
Energy: 2.792590406269445
Energy: 1.9796316090502935
Energy: 2.171436403281291
Energy: 1.9672730661037896
Energy: 2.918285648572204
Energy: 1.967273066104793
Energy: 2.169862800041236
Energy: 1.950140559876781
Energy: 2.1756133633212946
Energy: 1.9501405598777846
Energy: 2.171476104390394
Energy: 1.9750309870896943
Energy: 2.3610103855845463
Energy: 1.9750309870917016
Energy: 2.7923657304663516
Energy: 1.9316348736571904
Energy: 2.1737133690897767
Energy: 1.9316348736561868
Energy: 2.6500676646640593
Energy: 1.6147253275002487
Energy: 2.197631168469051
Energy: 1.6147253274982414
Energy: 2.651741382030954
Energy: 1.6141531896809722
Energy: 1.618920793298385
Energy: 1.6141531896809722
Energy: 2.781893517883345
Energy: 1.6297331967592417
Energy: 1.6602372666597096
Energy: 1.6297331967592417
Energy: 2.9218401514990044
Energy: 1.64421468908149
Energy: 1.6305812739384606
Energy: 1.644214689080486
Energy: 2.913889994390789
Energy: 1.47226511613613
Energy: 1.6677919792439997
Energy: 1.4722651161371338

minimum gb energy = 1.4719141152105437 eV
minimum distance =  2.57292967239889 Angstroms
sigma value = 1


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

Energy: 3.5430458112904457
Energy: 1.5527138740549753
Energy: 1.5546395495315244
Energy: 2.328994751454708
Energy: 2.8520192585610555
Energy: 1.6053789431892824
Energy: 1.6028474121469982
Energy: 1.6053789431904266
Energy: 2.8640946926157924
Energy: 1.5526926538395158
Energy: 1.5479908586203062
Energy: 1.5526926538395158
Energy: 2.890191233480093
Energy: 1.551267079847277
Energy: 1.5511192914845906
Energy: 1.551267079847277
Energy: 2.6295799066959487
Energy: 1.5517354698954267
Energy: 1.911822002502588
Energy: 1.551735469894282
Energy: 2.8899810659359577
Energy: 1.787924455323479
Energy: 1.9188981571470884
Energy: 1.7879244553211904
Energy: 2.9377913066586405
Energy: 1.7960764271930338
Energy: 1.9323469227247925
Energy: 1.7960764271918896
Energy: 2.490209863606449
Energy: 1.8146599475012546
Energy: 1.859066715451419
Energy: 1.8146599474989662
Energy: 2.5814171240379875
Energy: 2.0958433932671956
Energy: 2.2805853523009056
Energy: 2.095843393250031
Energy: 2.5694601454684656
Energy: 1.985655533897687
Energy: 2.511484629631811
Energy: 1.985655533897687
Energy: 2.3146038116818826
Energy: 1.8087253832428496
Energy: 2.3527325168389566
Energy: 1.8087253832394166
Energy: 1.8577398788443322
Energy: 1.811837559400743
Energy: 2.1393016926510326
Energy: 1.8118375594018874
Energy: 1.9873857886398443
Energy: 1.7966469405090564
Energy: 2.51410719817505
Energy: 1.7966469405102006
Energy: 1.9045467711478377
Energy: 1.789413130887303
Energy: 2.868875807543097
Energy: 1.7894131308861583
Energy: 1.8936672513529518
Energy: 1.5555575918457558
Energy: 2.800529216122308
Energy: 1.5555575918469
Energy: 1.602344133473056
Energy: 1.6036998248931822
Energy: 2.7989403766008754
Energy: 1.6036998248943264
Energy: 1.5518619417032293
Energy: 1.5531142870052697
Energy: 2.848968724681872
Energy: 1.5531142870041255
Energy: 1.5507012434377747
Energy: 1.555627776454808
Energy: 2.867418206936703
Energy: 1.555627776454808
Energy: 1.6045297012434703
Energy: 1.5505104733289372
Energy: 2.9047850449196013
Energy: 1.5505104733312256
Energy: 1.9308277569004924
Energy: 1.7875417377590541
Energy: 2.8902924415461397
Energy: 1.7875417377613427
Energy: 1.8563163208762312
Energy: 1.791544702372219
Energy: 2.93856545784403
Energy: 1.7915447023733633
Energy: 1.860333922231842
Energy: 1.7909888909182432
Energy: 2.4883889656197993
Energy: 1.7909888909228204
Energy: 1.857897416088611
Energy: 1.9858853075004073
Energy: 2.6742297634304935
Energy: 1.9858853075004073
Energy: 2.5541025051625503
Energy: 1.9892332342249777
Energy: 2.4895453672215067
Energy: 1.9892332342249777
Energy: 2.312658624080175
Energy: 1.8086181832428863
Energy: 2.6487488090570874
Energy: 1.8086181832428863
Energy: 2.137921714876744
Energy: 1.8051798599832112
Energy: 1.8575852026371091
Energy: 1.8051798599843554
Energy: 2.5138842754951436
Energy: 1.7935818036865054
Energy: 1.9721634004268784
Energy: 1.7935818036899385
Energy: 2.8764521535329726
Energy: 1.7888334689308847
Energy: 1.8590312610149544
Energy: 1.788833468935462
Energy: 2.803340780169631
Energy: 1.5549082320661682
Energy: 1.8954599657549231
Energy: 1.5549082320673124

minimum gb energy = 1.5479908586203062 eV
minimum distance =  2.5702192781136 Angstroms
sigma value = 25


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

Energy: 3.331452379957024
Energy: 1.7731092603989336
Energy: 1.7746423624739818
Energy: 1.7908947364024064
Energy: 2.8763587354545486
Energy: 1.6644525330893116
Energy: 1.6839916051850732
Energy: 1.6644525330893116
Energy: 2.84499418401144
Energy: 1.6465199754255035
Energy: 1.6463301849923355
Energy: 1.6465199754255035
Energy: 2.8435519518912815
Energy: 1.6351121784836482
Energy: 1.6527493792558399
Energy: 1.6351121784849785
Energy: 3.010897277323345
Energy: 1.656996609557585
Energy: 2.252652136667982
Energy: 1.656996609291661
Energy: 2.8351807032732776
Energy: 1.9163802051142318
Energy: 2.2040644243619236
Energy: 1.9163802051142318
Energy: 2.647637572151847
Energy: 2.0630275783483123
Energy: 2.228995618375045
Energy: 2.0630275783483123
Energy: 2.1996510571829813
Energy: 2.0631568612969065
Energy: 2.1938536081964983
Energy: 2.063156861295576
Energy: 2.421167654727426
Energy: 2.06370024910203
Energy: 2.212569729184527
Energy: 2.0637002490967093
Energy: 2.1911757411014867
Energy: 2.065304692828751
Energy: 2.8108633049422918
Energy: 2.065304692828751
Energy: 2.145886186888059
Energy: 1.89492318516532
Energy: 2.6934441019660724
Energy: 1.8949231851666501
Energy: 1.6350686189195498
Energy: 1.6351782096823246
Energy: 2.6933293523976287
Energy: 1.635178209683655
Energy: 1.6431715020593118
Energy: 1.6450649786268745
Energy: 2.8071170724174053
Energy: 1.6450649786268745
Energy: 1.6587981555486244
Energy: 1.6643229953790561
Energy: 2.805064657019104
Energy: 1.6643229953790561
Energy: 1.7111097552807832
Energy: 1.636336054225836
Energy: 2.895221769083622
Energy: 1.636336054225836
Energy: 1.888466914060246
Energy: 1.6642036913204492
Energy: 2.828490150645411
Energy: 1.6642036913204492
Energy: 1.8439226323347255
Energy: 1.8279667554392254
Energy: 2.842570041628053
Energy: 1.827966755437895
Energy: 1.8460811698649988
Energy: 1.826844972586409
Energy: 2.550490913884099
Energy: 1.826844972586409
Energy: 1.8557100847738695
Energy: 1.98536065444166
Energy: 2.3990880144454683
Energy: 1.98536065444166
Energy: 2.546588296884998
Energy: 2.1297155969711294
Energy: 2.560632296230998
Energy: 2.129715596969799
Energy: 2.34461993361491
Energy: 2.12919468192949
Energy: 2.5439926557824624
Energy: 2.12919468192949
Energy: 2.34466196011618
Energy: 1.9350147191855727
Energy: 1.8460151653148116
Energy: 1.9350147191855727
Energy: 2.5407975068452795
Energy: 1.8270553790118158
Energy: 1.8963715008295998
Energy: 1.8270553790118158
Energy: 2.8102332196063924
Energy: 1.8302711538310257
Energy: 1.8712577422150858
Energy: 1.8302711538323557
Energy: 2.726477249863094
Energy: 1.6686370345964237
Energy: 1.913948590639048
Energy: 1.6686370345964237

minimum gb energy = 1.6350686189195498 eV
minimum distance =  2.47777966817 Angstroms
sigma value = 9


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

Energy: 3.0204283993878613
Energy: 2.081643866945795
Energy: 1.6881186920410403
Energy: 2.3773689183401467
Energy: 2.5562068832541773
Energy: 1.686918826151131
Energy: 1.7304233572042176
Energy: 1.686918826151131
Energy: 2.63505129474976
Energy: 1.6867498235898588
Energy: 1.6845402785820418
Energy: 1.6867498235914455
Energy: 2.6346007942809764
Energy: 1.7301895266585645
Energy: 1.687174082974032
Energy: 1.7301895266585645
Energy: 2.3045894023860667
Energy: 1.6863290299300766
Energy: 2.1686260907383224
Energy: 1.6863290299284899
Energy: 2.6353722785142315
Energy: 2.018542536507786
Energy: 2.2082533967018354
Energy: 2.018542536507786
Energy: 2.663965220404992
Energy: 1.93330185733548
Energy: 1.6555282487640561
Energy: 1.93330185733548
Energy: 2.1591976201969456
Energy: 1.988231393995589
Energy: 2.2071278691938985
Energy: 1.988231393995589
Energy: 2.133742760392963
Energy: 1.962609789352402
Energy: 2.8023107285900433
Energy: 1.9626097893476775
Energy: 2.149601264547677
Energy: 1.998158402874599
Energy: 2.534779756123021
Energy: 1.998158402874599
Energy: 2.0901604989929647
Energy: 2.019524450781061
Energy: 2.5066085935303115
Energy: 2.019524450781061
Energy: 1.7303150139311982
Energy: 1.7303921688856858
Energy: 2.5104323025369903
Energy: 1.7303921688840989
Energy: 1.6874677690661075
Energy: 1.6877265280394633
Energy: 2.5697095114701445
Energy: 1.6877265280394633
Energy: 1.688037856945574
Energy: 1.6868101402382347
Energy: 2.634956248221161
Energy: 1.6868101402398215
Energy: 1.7306937920733578
Energy: 1.6867266958222011
Energy: 2.309406515646895
Energy: 1.6867266958222011
Energy: 2.208230628663319
Energy: 1.7305498448941306
Energy: 2.635533928099381
Energy: 1.7305498448925436
Energy: 1.6556420566688181
Energy: 1.9332988717104342
Energy: 2.636088149264834
Energy: 1.9332988717104342
Energy: 1.6558302466859003
Energy: 1.9322047665694648
Energy: 2.1585062578360823
Energy: 1.9322047665694648
Energy: 2.2057763262700045
Energy: 1.9978780572889918
Energy: 2.3567693296026935
Energy: 1.9978780572905785
Energy: 2.534965774482835
Energy: 1.9983953184592023
Energy: 2.1569359260017533
Energy: 1.9983953184592023
Energy: 2.5098484923537305
Energy: 2.0193149686168925
Energy: 2.0897644005705085
Energy: 2.019314968618479

minimum gb energy = 1.6555282487640561 eV
minimum distance =  2.47162917320876 Angstroms
sigma value = 25


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

Energy: 2.634131458326604
Energy: 1.9289533224304702
Energy: 1.9845330254696045
Energy: 1.8592162036286781
Energy: 2.4910673639177814
Energy: 2.012309677745404
Energy: 1.9527126457097153
Energy: 2.0123096777434415
Energy: 2.4883993796982193
Energy: 2.012155765923292
Energy: 1.859272729019543
Energy: 2.012155765923292
Energy: 2.4886754317291113
Energy: 1.8867200945761051
Energy: 1.9551935747011824
Energy: 1.8867200945780673
Energy: 2.2669940274903895
Energy: 2.1165574759236203
Energy: 2.3959033730129136
Energy: 2.1165574759236203
Energy: 2.4422799843443883
Energy: 2.3587591818484523
Energy: 2.4944694303092727
Energy: 2.3587591818484523
Energy: 2.4444434017296817
Energy: 2.1460195732420697
Energy: 2.592081211059726
Energy: 2.146019573244032
Energy: 1.8872532357854874
Energy: 1.8871002210081702
Energy: 2.4219163640749004
Energy: 1.8871002210081702
Energy: 1.8912154601200672
Energy: 1.8644460783321464
Energy: 2.492951312685106
Energy: 1.864446078334109
Energy: 1.9878353510274542
Energy: 1.9217245985493747
Energy: 2.491221846168204
Energy: 1.9217245985493747
Energy: 1.976279470678999
Energy: 1.9752300424586142
Energy: 2.516995998828836
Energy: 1.9752300424566518
Energy: 2.29090741443547
Energy: 1.971497790215969
Energy: 2.5175860883787187
Energy: 1.971497790215969
Energy: 2.187358380006643
Energy: 2.161110607412978
Energy: 2.492723512900774
Energy: 2.161110607412978
Energy: 2.2012992612293054
Energy: 2.1518632053967734
Energy: 2.2454316010393867
Energy: 2.1518632053967734
Energy: 2.247940876628161
Energy: 2.1507467739192916
Energy: 2.295560704498053
Energy: 2.1507467739192916
Energy: 2.4905490633329666
Energy: 1.8759787259162575
Energy: 2.2476977598844883
Energy: 1.8759787259162575
Energy: 2.4841731019900535
Energy: 2.010717632578008
Energy: 2.264239047037462
Energy: 2.0107176325623084

minimum gb energy = 1.8592162036286781 eV
minimum distance =  2.50665574356177 Angstroms
sigma value = 17


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

Energy: 3.6178653981270665
Energy: 2.0468527076439713
Energy: 2.1974968941447752
Energy: 2.059528276343606
Energy: 2.3657001501696553
Energy: 1.9528400094855602
Energy: 2.1480098224526407
Energy: 1.9528400094833376
Energy: 2.3235251234927055
Energy: 2.0643698597624405
Energy: 1.9486253981093742
Energy: 2.0643698597602174
Energy: 2.3399833190354276
Energy: 1.9579449554674115
Energy: 1.9909649730277177
Energy: 1.9579449554695842
Energy: 2.415495465783152
Energy: 2.1822545709961925
Energy: 2.3591381766104393
Energy: 2.1822545709973045
Energy: 2.3868727727627626
Energy: 2.3176240871834963
Energy: 2.3915491726906395
Energy: 2.317624087182385
Energy: 2.331436550093014
Energy: 2.211186387480812
Energy: 2.3905261896946035
Energy: 2.211186387480812
Energy: 1.998072340126325
Energy: 1.998451836568195
Energy: 2.4453572500067025
Energy: 1.998451836568195
Energy: 1.927344046623573
Energy: 1.903158849745536
Energy: 2.3609219018164125
Energy: 1.903158849747759
Energy: 1.9335071122521752
Energy: 1.9056559812836176
Energy: 2.3689145762864268
Energy: 1.905655981282506
Energy: 1.9778834985701508
Energy: 1.9318102518080995
Energy: 2.667045562843005
Energy: 1.9318102518025422
Energy: 2.380981676530696
Energy: 2.3589318949745994
Energy: 2.423165036364921
Energy: 2.3589318949745994
Energy: 2.3931563621071477
Energy: 2.1856400019208113
Energy: 2.3505025715711794
Energy: 2.1856400019219224
Energy: 2.439576809275451
Energy: 1.9224003119300999
Energy: 1.9304402718772948
Energy: 1.9224003119323227
Energy: 2.3622111733018154
Energy: 1.9039794893265698
Energy: 1.9073098036197311
Energy: 1.903979489324347
Energy: 2.358053262491334
Energy: 1.9103045358544597
Energy: 1.966246978016895
Energy: 1.9103045357933806
Energy: 2.4340195324474867
Energy: 1.989568969818669
Energy: 2.009270774718392
Energy: 1.9895689698231147
Energy: 2.4330264987828496
Energy: 2.191511091440242
Energy: 2.3663464854621084
Energy: 2.191511091440242
Energy: 2.3577638616386585
Energy: 2.3039626122838976
Energy: 2.371867525229545
Energy: 2.3039626122838976
Energy: 2.035286824987836
Energy: 2.301921235142187
Energy: 2.3888918836337636
Energy: 2.3019212351410756
Energy: 1.9484789764724806
Energy: 1.9442031045331616
Energy: 2.3208588880708434
Energy: 1.9442031045309385
Energy: 2.003907726873752
Energy: 1.9408042644441221
Energy: 2.315249377374847
Energy: 1.9408042644796883
Energy: 2.1032786973617585
Energy: 2.0479545531659444
Energy: 2.404903124950667
Energy: 2.0479545531659444
Energy: 2.2359072981333896
Energy: 2.146393061237652
Energy: 2.4055760926316876
Energy: 2.146393061237652
Energy: 2.298333453306736
Energy: 1.9908912326991726
Energy: 2.3692442760154067
Energy: 1.9908912327013952
Energy: 2.1540406917051644
Energy: 2.213340326436493
Energy: 2.3680223197975896
Energy: 2.213340326436493
Energy: 2.1908515999422966
Energy: 2.2190993623672686
Energy: 2.1634774755171984
Energy: 2.219099362366157
Energy: 2.3458261923492
Energy: 2.0677792233820704
Energy: 2.1535964145192494
Energy: 2.0677792233820704
Energy: 2.3484439268063264
Energy: 1.9995748910689757
Energy: 2.2907710280477156
Energy: 1.9995748910689757
Energy: 2.434622925618953
Energy: 2.093841510579159
Energy: 2.399968439809241
Energy: 2.093841510574713

minimum gb energy = 1.903158849745536 eV
minimum distance =  2.4575437129243 Angstroms
sigma value = 53


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

Energy: 1.8190010552145266
Energy: 2.75479934453123
Energy: 1.9364037695916232
Energy: 2.0651156931287025
Energy: 2.086122678202257
Energy: 2.114940725010251
Energy: 1.939027199167407
Energy: 2.114940725010251
Energy: 2.1280656608861146
Energy: 2.1147618425876376
Energy: 1.9359842024664045
Energy: 2.1147618425876376
Energy: 2.130042412740845
Energy: 2.059811469213842
Energy: 2.0826582250538217
Energy: 2.0598111247997095
Energy: 2.195392006696797
Energy: 2.013681309783583
Energy: 2.0777518603178606
Energy: 2.013681309783583
Energy: 2.131557383624119
Energy: 2.1865592249393506
Energy: 2.084446392895074
Energy: 2.186559224936792
Energy: 2.1343584989956326
Energy: 2.115090106142831
Energy: 1.8036112994857774
Energy: 2.115090106142831
Energy: 1.9340494164371815
Energy: 2.099799137800601
Energy: 1.8038943088835429
Energy: 2.099799137795484
Energy: 1.9352273492327974
Energy: 2.1188616214060145
Energy: 2.131292851341949
Energy: 2.1188616214060145
Energy: 1.930561997413692
Energy: 2.0617640580141794
Energy: 2.1283534861143583
Energy: 2.061764058034591
Energy: 2.0827737623728617
Energy: 2.009147114329653
Energy: 2.1962258090595843
Energy: 2.0091471143270945
Energy: 2.0878518508267843
Energy: 2.237604761083045
Energy: 2.1288360816918286
Energy: 2.2376047610856036
Energy: 1.803881082078381
Energy: 2.114171345073597
Energy: 2.128034345986517
Energy: 2.114171345073597

minimum gb energy = 1.8036112994857774 eV
minimum distance =  2.40320961677295 Angstroms
sigma value = 9


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

Energy: 3.1547554927186034
Energy: 2.511499157911152
Energy: 2.5259335236924847
Energy: 2.4303193887262124
Energy: 2.324086726332871
Energy: 2.2611061003758404
Energy: 2.381439217297311
Energy: 2.2611061003777344
Energy: 2.2680281253312473
Energy: 2.234721079966047
Energy: 2.228706750370433
Energy: 2.234721079968888
Energy: 2.2712392373954127
Energy: 2.3253042796364713
Energy: 2.152067006935229
Energy: 2.3253042796355246
Energy: 2.1460006141800747
Energy: 2.2845158919197996
Energy: 2.27509014380156
Energy: 2.284515891918853
Energy: 2.3465695007819614
Energy: 2.253388731836841
Energy: 2.2682704753940666
Energy: 2.2533887318302117
Energy: 2.3952513747889843
Energy: 2.398314720001117
Energy: 2.785732508019374
Energy: 2.398314720002064
Energy: 2.536771824971364
Energy: 2.3481006518763183
Energy: 2.761353227724764
Energy: 2.348100651875371
Energy: 2.487577843238402
Energy: 2.3754027854968185
Energy: 2.346478285730697
Energy: 2.3754027854977657
Energy: 2.210682481102961
Energy: 2.386088286467508
Energy: 2.1647889917400773
Energy: 2.386088286468455
Energy: 2.4549325894069263
Energy: 2.112953284986955
Energy: 2.0329836509151207
Energy: 2.1129532849897963
Energy: 2.442115208498272
Energy: 2.183815405674186
Energy: 2.2336984759998733
Energy: 2.183815405674186
Energy: 2.7047362785845506
Energy: 2.213946666340082
Energy: 2.2454631958290787
Energy: 2.213946666341029
Energy: 2.7460399673694638
Energy: 2.2151949607973243
Energy: 2.636030668692176
Energy: 2.2151949607982715
Energy: 2.510342205509998
Energy: 2.4750118160608063
Energy: 2.6446514120071405
Energy: 2.4750118160608063
Energy: 2.4467724488034337
Energy: 2.3406255348021023
Energy: 2.5809763890230695
Energy: 2.340625534807784
Energy: 2.0379816999426774
Energy: 2.110743909811735
Energy: 2.5954721976364334
Energy: 2.110743909813629
Energy: 2.1514190834972338
Energy: 2.134895578039133
Energy: 2.671018133757366
Energy: 2.13489557804008
Energy: 2.1132551588053055
Energy: 2.121429980336076
Energy: 2.7109033349220186
Energy: 2.121429980335129
Energy: 2.115855936649568
Energy: 2.297132332658929
Energy: 2.9337432938251577
Energy: 2.297132332660823
Energy: 2.644204700120479
Energy: 2.4435500284972864
Energy: 2.709409382965656
Energy: 2.443550028498233
Energy: 2.73096611219968
Energy: 2.30792095703216
Energy: 2.64643450563069
Energy: 2.3079209570302663
Energy: 2.7171778389473684
Energy: 2.0934654757967297
Energy: 2.0925502394652007
Energy: 2.0934654757976765
Energy: 2.739772452095873
Energy: 2.1303239416100848
Energy: 2.128765448276947
Energy: 2.1303239416100848
Energy: 2.6079495130906176
Energy: 2.1467553155154713
Energy: 2.058714366102852
Energy: 2.14675531551263
Energy: 2.4062968710408223
Energy: 2.3357345393627447
Energy: 2.165437774885747
Energy: 2.3357345393636915
Energy: 2.6547254632156316
Energy: 2.486878300948502
Energy: 2.531131778942921
Energy: 2.486878300948502
Energy: 2.599692973989326
Energy: 2.342871519126292
Energy: 2.77886735806376
Energy: 2.342871519123451
Energy: 2.260102598056916
Energy: 2.233942004694624
Energy: 2.761828701570843
Energy: 2.2339420046775773
Energy: 2.24769677685262
Energy: 2.214231633165482
Energy: 2.6312272787050213
Energy: 2.214231633165482
Energy: 2.1462559094892257
Energy: 2.1890809687585033
Energy: 2.4830381793382528
Energy: 2.189080968757556
Energy: 2.135910140370463
Energy: 2.215891395503976
Energy: 2.445574280556568
Energy: 2.215891395504923
Energy: 2.1588161780741166
Energy: 2.3833838077667497
Energy: 2.4002825489721658
Energy: 2.3833838077676965
Energy: 2.3427328455561827
Energy: 2.3933350458456824
Energy: 2.544184493553032
Energy: 2.3933350458475764
Energy: 2.7644841817964116
Energy: 2.4073427103275726
Energy: 2.5523817947514016
Energy: 2.407342710329467

minimum gb energy = 2.0329836509151207 eV
minimum distance =  2.37646906670975 Angstroms
sigma value = 73


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

Energy: 3.088020027627251
Energy: 2.4079695478865917
Energy: 2.406753054315603
Energy: 2.469038060198945
Energy: 2.4059445056902815
Energy: 2.2954847069396984
Energy: 2.4237115892101144
Energy: 2.295484706941201
Energy: 2.2823869720373513
Energy: 2.2461735006195616
Energy: 2.2755406135180287
Energy: 2.2461735006195616
Energy: 2.2914201988661125
Energy: 2.2907309658121875
Energy: 2.216736438457004
Energy: 2.2907309658121875
Energy: 2.1992482559601165
Energy: 2.331981119630058
Energy: 2.2729561226776895
Energy: 2.331981119630058
Energy: 2.397994640709401
Energy: 2.2974142465006633
Energy: 2.3138881710956967
Energy: 2.2974142465006633
Energy: 2.4479624272479517
Energy: 2.409373869179376
Energy: 2.7597115935964824
Energy: 2.4093738691808784
Energy: 2.6611362925556987
Energy: 2.394880426461108
Energy: 2.773456163205493
Energy: 2.394880426461108
Energy: 2.602592988678388
Energy: 2.542275823792054
Energy: 2.3779121736592996
Energy: 2.542275823793557
Energy: 2.326695555608883
Energy: 2.31743983924833
Energy: 2.21995440143346
Energy: 2.317439839246828
Energy: 2.5581178845437926
Energy: 2.0936966442029714
Energy: 2.046584216004222
Energy: 2.0936966442029714
Energy: 2.664056938695668
Energy: 2.155403707429549
Energy: 2.2262798005680584
Energy: 2.1554037074310517
Energy: 2.5399496431473576
Energy: 2.1486023891597448
Energy: 2.2413482866273955
Energy: 2.1486023891597448
Energy: 2.60310308615776
Energy: 2.1775848969716773
Energy: 2.7320325011069473
Energy: 2.1775848969716773
Energy: 2.779415593135959
Energy: 2.6043925143806033
Energy: 2.729805796751779
Energy: 2.6043925143806033
Energy: 2.614527117261951
Energy: 2.152502672039418
Energy: 2.754248113880265
Energy: 2.1525026720379152
Energy: 2.151527796937161
Energy: 2.1488510609836244
Energy: 2.7483088796009207
Energy: 2.1488510609836244
Energy: 2.176095090277373
Energy: 2.1565416655877074
Energy: 2.632003009422948
Energy: 2.1565416655877074
Energy: 2.050804011454529
Energy: 2.201030544156461
Energy: 2.5969326529904673
Energy: 2.201030544156461
Energy: 2.1617412543601353
Energy: 2.5528841446373725
Energy: 2.7175269094857963
Energy: 2.5528841446373725
Energy: 2.377389357633353
Energy: 2.5125302156801608
Energy: 2.604477908783495
Energy: 2.5125302156801608
Energy: 2.76526474489034
Energy: 2.338008264512231
Energy: 2.6598087602720355
Energy: 2.3380082645107283

minimum gb energy = 2.046584216004222 eV
minimum distance =  2.37453181974732 Angstroms
sigma value = 7


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

Energy: 3.59808039676783
Energy: 2.448401664483911
Energy: 2.432723506220371
Energy: 2.235683245903577
Energy: 2.6485547350069965
Energy: 2.2489978383237283
Energy: 2.427370744748724
Energy: 2.248997838321603
Energy: 2.3052073615813184
Energy: 2.2578903815933544
Energy: 2.285876951507938
Energy: 2.257890381594417
Energy: 2.305649137043872
Energy: 2.2335758438681457
Energy: 2.2313860738802225
Energy: 2.2335758438660207
Energy: 2.2379213470327946
Energy: 2.314100414932215
Energy: 2.2378642931032067
Energy: 2.3141004149311524
Energy: 2.4265146391215207
Energy: 2.3443702474183516
Energy: 2.3408045590769473
Energy: 2.3443702474183516
Energy: 2.44608330337896
Energy: 2.4290138012646314
Energy: 2.6783140474903866
Energy: 2.429013801263569
Energy: 2.764096918383745
Energy: 2.4065803090774716
Energy: 2.677060966071756
Energy: 2.406580309074333
Energy: 2.794844805004792
Energy: 2.551624161570273
Energy: 2.5449798810185347
Energy: 2.5516241615713353
Energy: 2.4095124550941627
Energy: 2.341341366858982
Energy: 2.143552235473086
Energy: 2.341341366860045
Energy: 2.7449796759249896
Energy: 2.2031150073541146
Energy: 2.1260386651913903
Energy: 2.2031150073541146
Energy: 2.5040569028621857
Energy: 2.1254015557583577
Energy: 2.203589469618979
Energy: 2.1254015557594204
Energy: 2.67005124651618
Energy: 2.1064017222433353
Energy: 2.1058992202107265
Energy: 2.1064017222433353
Energy: 2.668575043562885
Energy: 2.34421146511748
Energy: 2.571531748430136
Energy: 2.3442114651142925
Energy: 2.792758115265129
Energy: 2.475069228383184
Energy: 2.515105048142724
Energy: 2.475069228383184
Energy: 2.518833177123729
Energy: 2.334915824905111
Energy: 3.000242066239412
Energy: 2.334915824906173
Energy: 2.4269029824279738
Energy: 2.2618330217696676
Energy: 2.7599230799944254
Energy: 2.26183302177073
Energy: 2.2878577995850558
Energy: 2.2911394524025788
Energy: 2.3091571419202164
Energy: 2.291139452403642
Energy: 2.235818987486128
Energy: 2.3156282567355397
Energy: 2.310343169909899
Energy: 2.3156282567355397
Energy: 2.239937667136177
Energy: 2.316797048868536
Energy: 2.212571418873041
Energy: 2.316797048868536
Energy: 2.3414390157803466
Energy: 2.3411767416246714
Energy: 2.3695687211149847
Energy: 2.3411767416257336
Energy: 2.6964139319465854
Energy: 2.4066964899824663
Energy: 2.442647461894192
Energy: 2.4066964899824663
Energy: 2.6966605730133475
Energy: 2.4285050095043714
Energy: 2.734974460781797
Energy: 2.4285050095043714
Energy: 2.561169175046403
Energy: 2.3610217769602215
Energy: 2.7199713418253735
Energy: 2.3610217769602215
Energy: 2.142035171191503
Energy: 2.3431751526308924
Energy: 2.4142760699068377
Energy: 2.343175152624518
Energy: 2.1452238749910224
Energy: 2.1858931098212855
Energy: 2.3902766615527096
Energy: 2.1858931098202232
Energy: 2.200255582743514
Energy: 2.080587122823819
Energy: 2.4898669639500164
Energy: 2.0805871228248813
Energy: 2.1093552177121273
Energy: 2.200458218135917
Energy: 2.670171469388323
Energy: 2.200458218135917
Energy: 2.2124170333720543
Energy: 2.7144741146194105
Energy: 2.733888810895513
Energy: 2.7144741146194105
Energy: 2.6277018420350244
Energy: 2.594122806338273
Energy: 2.7087340323274427
Energy: 2.594122806338273
Energy: 2.761195017632535
Energy: 2.284700791747778
Energy: 2.814502320650126
Energy: 2.284700791747778

minimum gb energy = 2.080587122823819 eV
minimum distance =  2.43289886826833 Angstroms
sigma value = 29


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

Energy: 2.5298799821579516
Energy: 2.6232189870942473
Energy: 2.7684284741682856
Energy: 2.2317512184342028
Energy: 2.1691270595116787
Energy: 2.052000722900507
Energy: 2.2545318433848465
Energy: 2.052000722901247
Energy: 2.4044537086792195
Energy: 2.155287700457314
Energy: 2.2260208390916225
Energy: 2.155287700456615
Energy: 2.3072079636224623
Energy: 2.188897335965327
Energy: 1.881932615290243
Energy: 2.1888973359656556
Energy: 2.2127864270737554
Energy: 2.214533310889132
Energy: 2.364885116912315
Energy: 2.2145333108895024
Energy: 2.1674912138426263
Energy: 2.054554166957096
Energy: 2.363833785801639
Energy: 2.054554166956726
Energy: 2.347809675521657
Energy: 2.207074902326083
Energy: 2.2016931047356105
Energy: 2.207074902327153
Energy: 2.3496903636542408
Energy: 2.189518462218807
Energy: 2.3004632688344917
Energy: 2.189518462219177
Energy: 2.3961918350349047
Energy: 2.292294772995554
Energy: 2.3948737949117076
Energy: 2.2922947729941145

minimum gb energy = 1.881932615290243 eV
minimum distance =  2.4383678159235 Angstroms
sigma value = 5


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

Energy: 3.0114119979749776
Energy: 2.8565330747630377
Energy: 2.8919369449575214
Energy: 2.6585795619987755
Energy: 2.124653685155117
Energy: 2.1393295866810282
Energy: 2.5200646461869365
Energy: 2.1393295866810282
Energy: 2.053690786384211
Energy: 2.2694146612744426
Energy: 2.5464670351471574
Energy: 2.2694146612734385
Energy: 2.1124824693068773
Energy: 2.110413083623787
Energy: 2.479414383337974
Energy: 2.110413083623787
Energy: 2.078745563895261
Energy: 2.0469323676090343
Energy: 2.5031985682039246
Energy: 2.0469323676090343
Energy: 2.0346872366968074
Energy: 2.1335292721368853
Energy: 2.350444177147247
Energy: 2.1335292721368853
Energy: 2.058489362490949
Energy: 2.1789557483165574
Energy: 2.3436196383707237
Energy: 2.1789557483135917
Energy: 2.076342717625874
Energy: 2.3120375182013504
Energy: 2.312259545318014
Energy: 2.312037518200347
Energy: 2.1785522722777073
Energy: 2.301487715721978
Energy: 2.3373857326061938
Energy: 2.301487715724989
Energy: 2.833876582273022
Energy: 2.485787746009153
Energy: 2.484604898983148
Energy: 2.485787746009153
Energy: 2.687677007216417
Energy: 2.299515775368693
Energy: 2.530451174266427
Energy: 2.299515775369696
Energy: 2.586345308894358
Energy: 2.22479062258879
Energy: 2.700810835502467
Energy: 2.22479062258879
Energy: 2.3942687878577193
Energy: 2.285164692716261
Energy: 2.6967470744639024
Energy: 2.285164692716261
Energy: 2.3101977918283807
Energy: 2.2671080458120683
Energy: 2.105319897088031
Energy: 2.267108045813072
Energy: 2.3151326799274896
Energy: 2.2795622061340786
Energy: 2.0741782084264484
Energy: 2.279562206133075
Energy: 2.344852290504189
Energy: 2.2170110042480116
Energy: 2.14624084637349
Energy: 2.217011004249015
Energy: 2.3527422190714917
Energy: 2.224208819346484
Energy: 2.099648965106744
Energy: 2.2242088193454803
Energy: 2.4941408906683695
Energy: 2.051519095500415
Energy: 2.0456824166793286
Energy: 2.051519095500415
Energy: 2.737906211169624
Energy: 2.077808301263182
Energy: 2.0853583327269294
Energy: 2.0778083012591675
Energy: 2.568571648779791
Energy: 2.139339636788931
Energy: 2.112906232727553
Energy: 2.139339636788931
Energy: 2.5667641585233616
Energy: 2.4877614772243524
Energy: 2.793008642872519
Energy: 2.487761477225356
Energy: 2.7982331349449616
Energy: 2.4114219642193238
Energy: 2.734442441095448
Energy: 2.4114219641912222
Energy: 2.6213453223357095
Energy: 2.1626621119698735
Energy: 2.339156771664806
Energy: 2.162662111967866
Energy: 2.6582689790719867
Energy: 2.1522949901459905
Energy: 2.312317082101556
Energy: 2.152294990139969
Energy: 2.7065391426195147
Energy: 2.0630721385597677
Energy: 2.119217475296849
Energy: 2.0630721385597677
Energy: 2.263584579837488
Energy: 2.2095636629356656
Energy: 2.2174822965900196
Energy: 2.2095636629356656
Energy: 2.16383271567038
Energy: 2.2700760561640907
Energy: 2.249467809885001
Energy: 2.2700760561640907
Energy: 2.141469068839962
Energy: 2.2322090801077947
Energy: 2.1742377989303465
Energy: 2.2322090801077947
Energy: 2.1743739893460634
Energy: 2.2930920736122222
Energy: 2.2115962382317256
Energy: 2.293092073611219
Energy: 2.1624790332001322
Energy: 2.11954739712018
Energy: 2.5742168836805956
Energy: 2.1195473971191765
Energy: 2.2845333061059536
Energy: 2.1382791717172003
Energy: 2.544302216899636
Energy: 2.138279171716196
Energy: 2.353192255888189
Energy: 2.1365746828436856
Energy: 2.7164503699105795
Energy: 2.1365746828446897
Energy: 2.7250916269381427
Energy: 2.569750850628256
Energy: 2.7524541661862227
Energy: 2.569750850627252

minimum gb energy = 2.0346872366968074 eV
minimum distance =  2.41421317312735 Angstroms
sigma value = 1


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

Energy: 3.126328967100391
Energy: 2.490970898575106
Energy: 2.5622553775741976
Energy: 2.0206009407027756
Energy: 2.0749002414342237
Energy: 2.0845503008360877
Energy: 2.1127461473562734
Energy: 2.0845503008360877
Energy: 2.0062053033704683
Energy: 2.1366742493507007
Energy: 2.2580709049822953
Energy: 2.1366742493507007
Energy: 2.0453702875321866
Energy: 2.0770099051521105
Energy: 2.085724240415937
Energy: 2.0770099051521105
Energy: 2.0489503382172316
Energy: 2.0568131993992798
Energy: 2.187030590496954
Energy: 2.056813199404831
Energy: 2.004161770878896
Energy: 2.112474159542133
Energy: 2.2800937999616657
Energy: 2.112474159543521
Energy: 2.0137656542265994
Energy: 2.0935465559770194
Energy: 2.3380531546744243
Energy: 2.093546555978407
Energy: 2.053231297550014
Energy: 2.117212930519908
Energy: 2.361400696914116
Energy: 2.117212930519908
Energy: 2.044033239555514
Energy: 2.3267864572516386
Energy: 2.338262979157292
Energy: 2.3267864572516386
Energy: 2.535298674708627
Energy: 2.4849863721409067
Energy: 2.4887285241894337
Energy: 2.4849863721409067
Energy: 2.0469538714399773
Energy: 2.0991628003388625
Energy: 2.33144270254816
Energy: 2.0991628003541263
Energy: 2.0465315705128093
Energy: 2.1168291635889123
Energy: 2.6397205043898846
Energy: 2.1168291635902996
Energy: 2.0423231453276585
Energy: 2.109696411134439
Energy: 2.638193475003625
Energy: 2.1096964111372145
Energy: 2.1865016115913654
Energy: 2.188743297826576
Energy: 2.2069020958389327
Energy: 2.188743297826576
Energy: 2.045675385006005
Energy: 2.131482772740558
Energy: 2.0426049136559934
Energy: 2.1314827727419456
Energy: 2.046758166068179
Energy: 2.1255090713549682
Energy: 2.0616147202030115
Energy: 2.1255090713521927
Energy: 2.183861801397655
Energy: 2.143980564103553
Energy: 2.0478392308855122
Energy: 2.143980564103553
Energy: 2.18588206175649
Energy: 2.088792123486908
Energy: 1.9910828518959445
Energy: 2.088792123486908
Energy: 2.338045771476682
Energy: 2.114542868596324
Energy: 2.042537898431434
Energy: 2.114542868599099
Energy: 2.377031251452961
Energy: 2.112084522832902
Energy: 2.046464689819935
Energy: 2.112084522832902
Energy: 2.2871578352104995
Energy: 2.349600086093417
Energy: 2.461206115046612
Energy: 2.349600086093417
Energy: 2.3694354966946425
Energy: 2.3220293733035984
Energy: 2.346216232145919
Energy: 2.3220293733063735
Energy: 2.4786776227634486
Energy: 2.112109671071831
Energy: 2.041940963329842
Energy: 2.1121096710704435
Energy: 2.6399495288747716
Energy: 2.0845703897506893
Energy: 2.0474890082176067
Energy: 2.0845703897506893

minimum gb energy = 1.9910828518959445 eV
minimum distance =  2.43999604024379 Angstroms
sigma value = 17


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

Energy: 3.1881771591007975
Energy: 2.82280277050883
Energy: 2.8342687321751017
Energy: 2.6591357110712512
Energy: 2.104918189740788
Energy: 2.3010263681503207
Energy: 2.5364814893670315
Energy: 2.3010263681503207
Energy: 2.0800689235188945
Energy: 2.0978719474575533
Energy: 2.5417157942137036
Energy: 2.0978719474575533
Energy: 2.0873999592185752
Energy: 2.0820866184872173
Energy: 2.555725323244128
Energy: 2.082086618491506
Energy: 2.062829748802465
Energy: 2.0390284176680353
Energy: 2.3454010083727663
Energy: 2.0390284176697504
Energy: 2.074856210556702
Energy: 2.188798216704383
Energy: 2.1571458577071443
Energy: 2.188798216705241
Energy: 2.0962980702690683
Energy: 2.1976157806600742
Energy: 2.181242359932703
Energy: 2.1976157806600742
Energy: 2.1955512447807988
Energy: 2.1827926021686395
Energy: 2.1061490020551434
Energy: 2.1827926021686395
Energy: 2.309225926603162
Energy: 2.0261467606590116
Energy: 2.0233363758323692
Energy: 2.026146760659869
Energy: 2.6413015712568937
Energy: 2.0605880675278425
Energy: 2.029759937174389
Energy: 2.0605880675278425
Energy: 2.5733085712581056
Energy: 2.0836658382544155
Energy: 2.0516307287637754
Energy: 2.083665838258704
Energy: 2.5214168852877417
Energy: 2.399728877836938
Energy: 2.682153217639154
Energy: 2.3997288778352224
Energy: 2.5622734033247445
Energy: 2.313789711725552
Energy: 2.7528133712384553
Energy: 2.3137897117298403
Energy: 2.548144392034835
Energy: 2.220327031186669
Energy: 2.2673402466009525
Energy: 2.2203270311815233
Energy: 2.636582469875424
Energy: 2.0722028348013706
Energy: 2.3036581712418562
Energy: 2.0722028348022286
Energy: 2.633686676812336
Energy: 2.0759934401051288
Energy: 2.1435956927883764
Energy: 2.0759934401025557
Energy: 2.0774413119806505
Energy: 2.2541238121424025
Energy: 2.2439066169446082
Energy: 2.254123812140687
Energy: 2.0348916948672877
Energy: 2.1970517565664145
Energy: 2.2760208429609095
Energy: 2.197051756564699
Energy: 2.007283437003667
Energy: 2.1766010833756853
Energy: 2.3096837515056365
Energy: 2.1766010833774008
Energy: 2.059128052934318
Energy: 2.2128039473711527
Energy: 2.344700991283933
Energy: 2.2128039473720107
Energy: 2.0514481847019157
Energy: 2.11512714309359
Energy: 2.4977814935097657
Energy: 2.115127143094448
Energy: 2.059214258073648
Energy: 2.207285007532631
Energy: 2.4575296040284327
Energy: 2.207285007534346
Energy: 2.053978345196259
Energy: 2.329681653783295
Energy: 2.392732076510397
Energy: 2.3296816537841525
Energy: 2.6888936440788433
Energy: 2.3277322733971353
Energy: 2.4216212662559333
Energy: 2.3277322733971353
Energy: 2.7297486336295087
Energy: 2.2041324078017563
Energy: 2.5957669880703724
Energy: 2.2041324078008993
Energy: 2.4239431137167626
Energy: 2.2091067167299037
Energy: 2.6557622152783513
Energy: 2.2091067167290457
Energy: 2.5156820381197007
Energy: 2.4705789546513865
Energy: 3.188103027747994
Energy: 2.4705789546496715
Energy: 2.300652700940988
Energy: 2.2132294427719534
Energy: 2.2885593313704065
Energy: 2.2132294427710955
Energy: 2.409599569209324
Energy: 2.2207549044974337
Energy: 2.0989735554659372
Energy: 2.2207549044982917
Energy: 2.3949394489955433
Energy: 2.17173982643154
Energy: 2.007448598317457
Energy: 2.171739826432398
Energy: 2.3918308733561466
Energy: 2.0861722886280787
Energy: 1.998902846302819
Energy: 2.0861722886272207
Energy: 2.286700676531617
Energy: 2.134382111783627
Energy: 2.022012617806842
Energy: 2.1343821117853423
Energy: 2.278387923191566
Energy: 2.2041786264655068
Energy: 2.0790582020826807
Energy: 2.2041786264655068
Energy: 2.242160998009844
Energy: 2.2535094884812334
Energy: 2.1525522973157636
Energy: 2.253509488482091
Energy: 2.1342167186961922
Energy: 2.080098803971122
Energy: 2.042592118548585
Energy: 2.080098803967691
Energy: 2.2306832506519356
Energy: 2.1938820898055233
Energy: 3.0353127983759176
Energy: 2.193882089804666
Energy: 2.297919668059528
Energy: 2.102416511581257
Energy: 2.7358649635380914
Energy: 2.102416511579542
Energy: 2.6214836110225086
Energy: 2.2225378343511393
Energy: 2.6663685158223984
Energy: 2.2225378343519973

minimum gb energy = 1.998902846302819 eV
minimum distance =  2.45467854764997 Angstroms
sigma value = 89


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

Energy: 3.2993224787806636
Energy: 2.419161844044371
Energy: 2.4238440477600265
Energy: 2.003399366259836
Energy: 1.9641170642343935
Energy: 2.2572397552328636
Energy: 1.9818075698623965
Energy: 2.2572397552328636
Energy: 1.9641645830427856
Energy: 2.131664912034174
Energy: 2.1938012119950856
Energy: 2.131664912034174
Energy: 1.9881082016008984
Energy: 2.0125042270880202
Energy: 2.1953824292687636
Energy: 2.012504227090264
Energy: 2.0598347342327403
Energy: 1.9913588551913932
Energy: 2.0841940947616235
Energy: 1.991358855189149
Energy: 2.038926137598701
Energy: 2.0596812534772697
Energy: 2.0884919010395726
Energy: 2.0596812534772697
Energy: 2.0332226073778012
Energy: 2.0897782681788866
Energy: 2.1141865165816727
Energy: 2.0897782681788866
Energy: 2.0900061307399307
Energy: 2.1532098017742176
Energy: 2.0475910982247014
Energy: 2.1532098017742176
Energy: 2.107372300139122
Energy: 2.1040738201284817
Energy: 1.9822960756492698
Energy: 2.1040738201284817
Energy: 2.415197823503723
Energy: 2.0110250340245206
Energy: 1.961112568407264
Energy: 2.0110250339863702
Energy: 2.115965530998115
Energy: 2.1206809204063863
Energy: 1.959163094646758
Energy: 2.1206809204041424
Energy: 2.320213682283977
Energy: 1.9618325838185333
Energy: 2.547317720059531
Energy: 1.9618325838185333
Energy: 2.4242562359584
Energy: 1.9240882101802648
Energy: 2.450365535179178
Energy: 1.9240882101802648
Energy: 2.40784197783623
Energy: 2.2349462292022793
Energy: 1.961761089940334
Energy: 2.2349462292022793
Energy: 2.614187433956218
Energy: 2.0462950977967713
Energy: 1.9628511231614822
Energy: 2.0462950977967713

minimum gb energy = 1.9240882101802648 eV
minimum distance =  2.38429794503746 Angstroms
sigma value = 13


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

Energy: 2.6300426730933277
Energy: 2.243692153319053
Energy: 2.2364560543954433
Energy: 1.959147541223465
Energy: 1.9262185819633273
Energy: 2.122264623269372
Energy: 1.9240811448538526
Energy: 2.1222646232656097
Energy: 1.927582524165381
Energy: 2.1030002076891807
Energy: 2.151774995874763
Energy: 2.1030002076891807
Energy: 1.9218326722799801
Energy: 2.02746485305012
Energy: 2.10969113511016
Energy: 2.02746485305012
Energy: 2.0328680626231925
Energy: 2.1235505371666865
Energy: 2.0264670995975633
Energy: 2.1235505371666865
Energy: 2.0809503694248126
Energy: 2.015575618859177
Energy: 1.899231664201076
Energy: 2.0155756188601175
Energy: 2.0724715320703053
Energy: 1.9154908269967013
Energy: 2.0276423328064572
Energy: 1.9154908269938795
Energy: 2.177699609550634
Energy: 2.1614737599962006
Energy: 1.9413841353003396
Energy: 2.1614737599962006
Energy: 2.0723978198695727
Energy: 1.9629896998376017
Energy: 1.887026128961416
Energy: 1.9629896998357208
Energy: 2.079411634098431
Energy: 1.9226034306932658
Energy: 1.8934594311361943
Energy: 1.9226034306942064
Energy: 2.0811167100796144
Energy: 2.089603380264183
Energy: 2.157985243819019
Energy: 2.089603380270767
Energy: 1.902810718768498
Energy: 1.9438748715960874
Energy: 2.070209085390241
Energy: 1.9438748715942062
Energy: 1.924082715118207
Energy: 2.006748320903302
Energy: 2.3783698328674845
Energy: 2.006748320907065
Energy: 1.9280605680437075
Energy: 1.9572504891446945
Energy: 2.24566770368643
Energy: 1.9572504891390505
Energy: 2.324960930335319
Energy: 2.274151603957159
Energy: 2.2806887743360713
Energy: 2.274151603957159
Energy: 2.173950099265786
Energy: 1.9795396561198897
Energy: 2.295065902596485
Energy: 1.9795396561217706
Energy: 1.9268966977933402
Energy: 2.1210782779189654
Energy: 1.9358392754690323
Energy: 2.1210782779161437
Energy: 1.9262835232334605
Energy: 1.9493120523589411
Energy: 2.1095315009874436
Energy: 1.9493120523617626
Energy: 1.9212430334192796
Energy: 1.8996252117619274
Energy: 1.8546455048928738
Energy: 1.8996252117562837
Energy: 2.0450859104467853
Energy: 2.107953910761334
Energy: 1.9315698096151912
Energy: 2.1079539107622747
Energy: 2.6668686315035934
Energy: 2.030824597270623
Energy: 1.9159795704986473
Energy: 2.030824597270623
Energy: 2.0359064641632245
Energy: 1.9893838317851795
Energy: 2.0341089907952954
Energy: 1.9893838317861203
Energy: 2.1698580059026042
Energy: 2.0057871273147936
Energy: 2.0315907816399896
Energy: 2.0057871273157346
Energy: 1.8959177782824832
Energy: 1.9191319832348042
Energy: 1.93559588186379
Energy: 1.919131983235745
Energy: 1.9095170325451398
Energy: 2.02103243223999
Energy: 2.1791742106022793
Energy: 2.02103243223999
Energy: 1.8944442159150454
Energy: 2.076715398599336
Energy: 2.033839140946964
Energy: 2.0767153985983953
Energy: 1.8940678285687078
Energy: 1.9790673975448332
Energy: 2.44908848391301
Energy: 1.979067397545774
Energy: 2.1417004678758897
Energy: 2.1477470480531156
Energy: 2.039210390007064
Energy: 2.147747048050294
Energy: 2.107349028275069
Energy: 1.901843019506808
Energy: 1.9017413722337995
Energy: 1.901843019503986
Energy: 2.030589549978207
Energy: 1.968162301481478
Energy: 1.9215326918115947
Energy: 1.968162301481478
Energy: 2.0999519457141185
Energy: 2.057014326713668
Energy: 1.9286883939106905
Energy: 2.0570143267221335
Energy: 2.2780105698887447
Energy: 1.9038432714017188
Energy: 2.433468901152249
Energy: 1.9038432714017188
Energy: 2.318460939925308
Energy: 1.9785349108196906
Energy: 2.328590708858561
Energy: 1.9785349108225123
Energy: 1.922065147446453
Energy: 1.9562361502031698
Energy: 1.9275290723472756
Energy: 1.9562361502088135
Energy: 2.544120734770135
Energy: 1.9766002612470448
Energy: 1.951754240782773
Energy: 1.9766002612451634

minimum gb energy = 1.8546455048928738 eV
minimum distance =  2.38592408624459 Angstroms
sigma value = 37


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

Energy: 2.7819120212895587
Energy: 2.122540584218499
Energy: 2.124997996994159
Energy: 1.8811692729117413
Energy: 1.8611250293335397
Energy: 1.8791621752807033
Energy: 1.890438268915499
Energy: 1.8791621752807033
Energy: 1.9117687419287577
Energy: 2.005037014205614
Energy: 2.047000864625913
Energy: 2.005037014205614
Energy: 1.8459318128351883
Energy: 1.8937727476374862
Energy: 2.062978832738714
Energy: 1.8937727476407227
Energy: 1.9860662623812326
Energy: 1.9960584909486045
Energy: 1.9663948302320169
Energy: 1.9960584909486045
Energy: 2.0158967970990638
Energy: 1.9474538908449661
Energy: 1.9209041130409008
Energy: 1.9474538908449661
Energy: 1.9430205707291743
Energy: 1.8710190284435995
Energy: 1.9063911218184144
Energy: 1.8710190284435995
Energy: 1.996067550736785
Energy: 1.9064333803697764
Energy: 1.890525270121094
Energy: 1.9064333803713946
Energy: 2.007910280785445
Energy: 1.8677382451602553
Energy: 1.8841176999973506
Energy: 1.8677382451602553
Energy: 1.8821692173441058
Energy: 1.7584334252414136
Energy: 1.923972188725708
Energy: 1.7584334252414136
Energy: 1.848588892931762
Energy: 2.020452813236741
Energy: 2.006958381862226
Energy: 2.0204528132383595
Energy: 1.8185740938733879
Energy: 1.8165854986982655
Energy: 1.9570638936691056
Energy: 1.8165854986982655
Energy: 1.93931816897802
Energy: 1.8148388732072975
Energy: 2.0582699346307485
Energy: 1.8148388732105343
Energy: 2.0796967620776425
Energy: 2.0352310036583874
Energy: 1.9990543013310667
Energy: 2.035231003656769
Energy: 2.0048100506387336
Energy: 1.8921721015230015
Energy: 1.852756921193642
Energy: 1.8921721015230015
Energy: 2.1332157605246773
Energy: 1.9043205382948394
Energy: 1.8453106009591749
Energy: 1.9043205382964576
Energy: 2.1617398789565243
Energy: 2.03726489956821
Energy: 1.8635170102581426
Energy: 2.03726489956821
Energy: 2.12635561050096
Energy: 1.8454836008112867
Energy: 2.2482124072482588
Energy: 1.8454836008112867
Energy: 1.9264532667342784
Energy: 2.0089035254403935
Energy: 2.0689527218020047
Energy: 2.0089035254403935
Energy: 1.8626806863297813
Energy: 1.9219919448341292
Energy: 1.8450899790858406
Energy: 1.9219919448341292

minimum gb energy = 1.7584334252414136 eV
minimum distance =  2.46598215483257 Angstroms
sigma value = 25


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

Energy: 2.986133728591389
Energy: 1.9087179101280356
Energy: 1.9560359337361977
Energy: 1.7343633330488617
Energy: 1.7472956772012123
Energy: 1.8678350334237974
Energy: 1.7563119453106566
Energy: 1.867835033418743
Energy: 1.747082296625484
Energy: 1.8440913132196404
Energy: 1.9401093105555391
Energy: 1.8440913132196404
Energy: 1.711402795592679
Energy: 1.7385172021003477
Energy: 1.8887838718684165
Energy: 1.7385172021003477
Energy: 1.8421234093744476
Energy: 1.815439743224832
Energy: 1.7875933081148665
Energy: 1.8154397432223046
Energy: 1.8910418863982656
Energy: 1.6841980047421463
Energy: 1.7398139436810727
Energy: 1.684198004739619
Energy: 1.8911662680755372
Energy: 1.6761544295156117
Energy: 1.7482512479835028
Energy: 1.6761544295156117
Energy: 1.860749420558272
Energy: 1.833612065314444
Energy: 1.748575546296803
Energy: 1.8336120653169712
Energy: 1.7951879446118213
Energy: 1.594299429395532
Energy: 1.8382214855521912
Energy: 1.5942994293942683
Energy: 1.730779903754385
Energy: 1.5851700657901169
Energy: 1.7875853128177979
Energy: 1.5851700657888532
Energy: 1.6599053303530833
Energy: 1.8080771283291401
Energy: 1.7964230063254916
Energy: 1.8080771283278767
Energy: 1.7597856512167962
Energy: 1.5520817478699358
Energy: 1.7583645410748867
Energy: 1.5520817478699358
Energy: 1.8242572865625912
Energy: 1.5620428304796266
Energy: 1.7572131870584355
Energy: 1.562042830478363
Energy: 1.8097020069201477
Energy: 1.8120950572585646
Energy: 1.6691273911935518
Energy: 1.8120950572610917
Energy: 1.838278050641401
Energy: 1.5837421196158494
Energy: 1.7256147390655256
Energy: 1.5837421196158494
Energy: 1.8381686020229857
Energy: 1.5944728051356616
Energy: 1.8256015899911697
Energy: 1.5944728051356616
Energy: 1.739704084402007
Energy: 1.723483094839228
Energy: 1.8589052874019856
Energy: 1.7234830948404918
Energy: 1.739992728855625
Energy: 1.6760156996820885
Energy: 1.8356672010479964
Energy: 1.6760156996833524
Energy: 1.7886400004685843
Energy: 1.7646688882645722
Energy: 1.8866435428188681
Energy: 1.7646688882633086
Energy: 1.7893779251710895
Energy: 1.886359539799375
Energy: 1.7743066426006173
Energy: 1.8863595397981114
Energy: 2.7631419215504813
Energy: 1.7429928031223363
Energy: 1.7707279427646803
Energy: 1.7429928031210724
Energy: 1.7963660913678512
Energy: 1.7493408006421467
Energy: 1.7455940289678873
Energy: 1.7493408006421467
Energy: 1.797988022045202
Energy: 1.771225293922018
Energy: 2.132332332649765
Energy: 1.771225293922018
Energy: 1.959513290407688
Energy: 1.7233784791409854
Energy: 1.9365722662226192
Energy: 1.7233784791397218
Energy: 1.7492747514006624
Energy: 1.750132199238215
Energy: 1.7755337951461299
Energy: 1.7501321992369514
Energy: 1.9343203941657148
Energy: 1.7453800984295615
Energy: 1.7556244998782886
Energy: 1.7453800984308254

minimum gb energy = 1.5520817478699358 eV
minimum distance =  2.50153883877105 Angstroms
sigma value = 41


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

Energy: 3.0884092516372093
Energy: 1.7474202627851574
Energy: 1.78409662050639
Energy: 1.613681039275914
Energy: 1.6534414926346226
Energy: 1.7455532230655104
Energy: 1.8368102284411298
Energy: 1.7455532230655104
Energy: 1.6206347753168506
Energy: 1.6592662910190237
Energy: 1.8071982203425778
Energy: 1.6592662910200597
Energy: 1.6331017488350505
Energy: 1.6166279259150835
Energy: 1.7212625273784115
Energy: 1.6166279259161196
Energy: 1.7109431185100812
Energy: 1.7058323332041028
Energy: 1.7150816572114118
Energy: 1.7058323332030667
Energy: 1.7161009943806929
Energy: 1.563285199235191
Energy: 1.6640805275254147
Energy: 1.5632851992341552
Energy: 1.7304375948653
Energy: 1.5670039329983212
Energy: 1.6663380287670952
Energy: 1.5670039329983212
Energy: 1.717723326903563
Energy: 1.735054898028749
Energy: 1.670932059904079
Energy: 1.735054898028749
Energy: 1.655259517264565
Energy: 1.4898700979567203
Energy: 1.711520336545733
Energy: 1.4898700979567203
Energy: 1.6271954842998742
Energy: 1.4801113528042535
Energy: 1.6964293456533628
Energy: 1.4801113528042535
Energy: 1.6024900977430463
Energy: 1.5738871837341044
Energy: 1.6839280710816862
Energy: 1.5738871837361765
Energy: 1.6816523561485919
Energy: 1.4274123504696299
Energy: 1.6412525126085564
Energy: 1.4274123504706657
Energy: 1.6636215260873888
Energy: 1.4231222959827894
Energy: 1.5311393410933614
Energy: 1.4231222959838254
Energy: 1.6520904429213488
Energy: 1.408997921662399
Energy: 1.5335520918634866
Energy: 1.4089979216634347
Energy: 1.6410240833933047
Energy: 1.4036229620458223
Energy: 1.6348707057491678
Energy: 1.4036229620447862
Energy: 1.5329776319066553
Energy: 1.4039307388907036
Energy: 1.6776589802509572
Energy: 1.4039307388927755
Energy: 1.5337200731788494
Energy: 1.6731353321217983
Energy: 1.6551934845096512
Energy: 1.6731353321228344
Energy: 1.7484568092118211
Energy: 1.4214977992747748
Energy: 1.6790198938393088
Energy: 1.4214977992737388
Energy: 1.6694740242663866
Energy: 1.4334368917366005
Energy: 1.7002304062002722
Energy: 1.4334368917366005
Energy: 1.6832400290754626
Energy: 1.5746386683375515
Energy: 1.605897771487852
Energy: 1.5746386683375515
Energy: 1.7315663972945727
Energy: 1.4798588996733828
Energy: 1.6591377020731706
Energy: 1.4798588996733828
Energy: 1.6987440435278065
Energy: 1.4961013455328223
Energy: 1.7081171256910317
Energy: 1.496101345533858
Energy: 1.672904590373551
Energy: 1.6476321290760947
Energy: 1.7170744686362107
Energy: 1.6476321290771305
Energy: 1.6168983050017178
Energy: 1.5727251270776437
Energy: 1.7307944787298015
Energy: 1.5727251270797158
Energy: 1.710746519662455
Energy: 1.6181005625716443
Energy: 1.8106689288305104
Energy: 1.6181005625716443
Energy: 1.7959570453691844
Energy: 1.6084235571476946
Energy: 1.667547326832711
Energy: 1.6084235571487306
Energy: 1.8031285806653714
Energy: 1.6170954356477938
Energy: 1.6396829586107073
Energy: 1.6170954356467577
Energy: 1.6690790285522619
Energy: 1.6852056350557996
Energy: 1.6221341729238727
Energy: 1.6852056350599438
Energy: 1.6104521093817112
Energy: 1.625827001974449
Energy: 1.7961121556012334
Energy: 1.625827001976521
Energy: 1.640830166944274
Energy: 1.6262272412579486
Energy: 1.7320198894058367
Energy: 1.6262272412579486
Energy: 1.6580016453110955
Energy: 1.6827600906351927
Energy: 1.619600426369326
Energy: 1.6827600906362286
Energy: 1.8759589602222444
Energy: 1.6194675313012314
Energy: 1.640071924463174
Energy: 1.6194675313001954

minimum gb energy = 1.4036229620447862 eV
minimum distance =  2.5141998764079 Angstroms
sigma value = 15


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

Energy: 2.7980428276716145
Energy: 1.6226151762727423
Energy: 1.6513935690963406
Energy: 1.5118601297380334
Energy: 1.560379700372656
Energy: 1.6164971926284546
Energy: 1.5501784240382572
Energy: 1.6164971926249443
Energy: 1.5141325845266034
Energy: 1.5129748034435153
Energy: 1.6986613877582695
Energy: 1.5129748034417598
Energy: 1.5323553650798611
Energy: 1.5131549641313857
Energy: 1.6404935201895343
Energy: 1.5131549641305078
Energy: 1.6134440948966708
Energy: 1.560034009912062
Energy: 1.6019733773705873
Energy: 1.5600340099138172
Energy: 1.645211760716391
Energy: 1.4696951973475112
Energy: 1.5511822434527671
Energy: 1.4696951973492665
Energy: 1.5719172336563483
Energy: 1.4738250326168527
Energy: 1.574991335988652
Energy: 1.4738250326150975
Energy: 1.6175804174143125
Energy: 1.657644149195662
Energy: 1.5923588167439562
Energy: 1.657644149195662
Energy: 1.5419958024944764
Energy: 1.4072396968315275
Energy: 1.6327641423600059
Energy: 1.4072396968315275
Energy: 1.5466763837850488
Energy: 1.395825925503339
Energy: 1.571989929767149
Energy: 1.395825925503339
Energy: 1.5274387389537463
Energy: 1.3402687035280307
Energy: 1.59511908567926
Energy: 1.3402687035271532
Energy: 1.5892083988268237
Energy: 1.3419711845940354
Energy: 1.5543892888732138
Energy: 1.3419711845949132
Energy: 1.5640891332241644
Energy: 1.3365409490461797
Energy: 1.5290279421523765
Energy: 1.3365409490444242
Energy: 1.5602930587255832
Energy: 1.3033393328180494
Energy: 1.4979202507062435
Energy: 1.3033393328171718
Energy: 1.6191634941615722
Energy: 1.3037736206755695
Energy: 1.5680072547093578
Energy: 1.3037736206764468
Energy: 1.434436972865122
Energy: 1.3018118099296283
Energy: 1.553412451450432
Energy: 1.3018118099287506
Energy: 1.4780203854475118
Energy: 1.2904367467812823
Energy: 1.5456256573230542
Energy: 1.2904367467812823
Energy: 1.765016919828573
Energy: 1.2877075473497162
Energy: 1.607700012725154
Energy: 1.2877075473488384
Energy: 1.5474766541781508
Energy: 1.2895438965956916
Energy: 1.438038770085281
Energy: 1.2895438965956916
Energy: 1.5797677609059797
Energy: 1.4347100533462707
Energy: 1.4342568976293135
Energy: 1.4347100533462707
Energy: 1.568395888308147
Energy: 1.301982589999935
Energy: 1.6206446169737627
Energy: 1.3019825899990578
Energy: 1.461165185819419
Energy: 1.3012869909627707
Energy: 1.5570016586671005
Energy: 1.3012869909627707
Energy: 1.5240153414762383
Energy: 1.3358701704366716
Energy: 1.5605966131141684
Energy: 1.335870170434916
Energy: 1.5683976443179224
Energy: 1.3365598054110157
Energy: 1.6163581924383181
Energy: 1.3365598054110157
Energy: 1.592567871378492
Energy: 1.3393544844866134
Energy: 1.5109348426168903
Energy: 1.3393544844831025
Energy: 1.5934396401372586
Energy: 1.3967147095133672
Energy: 1.5502870939968816
Energy: 1.3967147095142451
Energy: 1.6166373771103155
Energy: 1.406363588486648
Energy: 1.5387638718718908
Energy: 1.406363588486648
Energy: 1.605728715397005
Energy: 1.518287063947289
Energy: 1.6231313038464068
Energy: 1.518287063949044
Energy: 1.5832870182033258
Energy: 1.5595030639832075
Energy: 1.6516543478676349
Energy: 1.5595030639840852
Energy: 1.5117446465663242
Energy: 1.4751410045570315
Energy: 1.59175303590659
Energy: 1.4751410045552764
Energy: 1.6030010434517612
Energy: 1.6146894595208239
Energy: 1.656789969358557
Energy: 1.6146894595208239
Energy: 1.6220859635740583
Energy: 1.5146659230185637
Energy: 1.5291038244947475
Energy: 1.5146659230185637
Energy: 1.6515417864131756
Energy: 1.513577417267376
Energy: 1.517079688689082
Energy: 1.513577417267376
Energy: 1.5649408886811886
Energy: 1.5094608734135908
Energy: 1.5630915755777555
Energy: 1.5094608734127133
Energy: 1.6793481331893942
Energy: 1.6667663509917798
Energy: 1.7050885003808895
Energy: 1.6667663509926574
Energy: 1.5158164062517956
Energy: 1.504289381928927
Energy: 1.6417354247073745
Energy: 1.5042893819271717
Energy: 1.7031192802826234
Energy: 1.5146488188580594
Energy: 1.5274070499566286
Energy: 1.5146488188598146

minimum gb energy = 1.2877075473488384 eV
minimum distance =  2.4798885602109 Angstroms
sigma value = 85


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

Energy: 2.8539985296923125
Energy: 1.4582453302009726
Energy: 1.53078558462576
Energy: 1.336070276258058
Energy: 1.3661238544129555
Energy: 1.5309948368698514
Energy: 1.382382161524721
Energy: 1.5309948368690904
Energy: 1.3664083620268388
Energy: 1.3566550768640144
Energy: 1.5009392033186386
Energy: 1.3566550768640144
Energy: 1.3891791009803287
Energy: 1.3508928275027394
Energy: 1.4779294010509019
Energy: 1.3508928275019785
Energy: 1.3850134418465492
Energy: 1.4851799058159114
Energy: 1.3819468283097014
Energy: 1.4851799058166724
Energy: 1.48510184315921
Energy: 1.3335022766146314
Energy: 1.3798558275659616
Energy: 1.3335022766153926
Energy: 1.482776620588303
Energy: 1.3730212785631375
Energy: 1.4337167705268679
Energy: 1.3730212785616152
Energy: 1.4715707964747011
Energy: 1.4447446320926196
Energy: 1.474023349765086
Energy: 1.444744632091097
Energy: 1.4183590843203464
Energy: 1.2938433283233204
Energy: 1.4845032751839855
Energy: 1.2938433283233204
Energy: 1.4525957309609379
Energy: 1.288665281683344
Energy: 1.4809993653459086
Energy: 1.288665281683344
Energy: 1.4537948586166454
Energy: 1.2380181316368082
Energy: 1.4809050235370218
Energy: 1.2380181316368082
Energy: 1.4608367670947051
Energy: 1.2427821889882933
Energy: 1.4403767277107524
Energy: 1.2427821889882933
Energy: 1.4607024392217052
Energy: 1.2377886446143964
Energy: 1.4323953843381
Energy: 1.2377886446136352
Energy: 1.4454736104524635
Energy: 1.2004018891388948
Energy: 1.4128204455110622
Energy: 1.2004018891388948
Energy: 1.4785563293805886
Energy: 1.200719342359119
Energy: 1.4288113778167688
Energy: 1.2007193423583578
Energy: 1.3915614244972216
Energy: 1.200975600460599
Energy: 1.4418121740888177
Energy: 1.2009756004621213
Energy: 1.3847036674654298
Energy: 1.1786888221626652
Energy: 1.4333167699582683
Energy: 1.1786888221626652
Energy: 1.4370913510067056
Energy: 1.1780101938402332
Energy: 1.485698172258358
Energy: 1.1780101938402332
Energy: 1.4330717540153122
Energy: 1.1830030993587568
Energy: 1.3345903419722343
Energy: 1.1830030993579956
Energy: 1.4331600133138758
Energy: 1.1717015559564585
Energy: 1.3880819295532818
Energy: 1.1717015559564585
Energy: 1.4491834617402946
Energy: 1.1703345935707368
Energy: 1.4800944633113955
Energy: 1.1703345935699758
Energy: 1.335106114430189
Energy: 1.1715332433762187
Energy: 1.433661031283096
Energy: 1.1715332433769798
Energy: 1.3349774341728486
Energy: 1.1798252359333707
Energy: 1.4391259934742457
Energy: 1.1798252359333707
Energy: 1.4929559791383515
Energy: 1.178529124769237
Energy: 1.462429741522494
Energy: 1.178529124769237
Energy: 1.4385833193998887
Energy: 1.178611432503149
Energy: 1.349828405827351
Energy: 1.178611432503149
Energy: 1.4412658225583614
Energy: 1.20013022563853
Energy: 1.429874187813839
Energy: 1.20013022563853
Energy: 1.5117329840194105
Energy: 1.2008728059862455
Energy: 1.443672543845134
Energy: 1.2008728059862455
Energy: 1.3855020829828617
Energy: 1.4469497286283775
Energy: 1.4605802539826551
Energy: 1.4469497286291384
Energy: 1.4415433278234753
Energy: 1.2381348415674913
Energy: 1.4605100336215449
Energy: 1.2381348415674913
Energy: 1.4554412378684012
Energy: 1.2378252654293194
Energy: 1.474032856216757
Energy: 1.2378252654293194
Energy: 1.4789365839512647
Energy: 1.3372826707631662
Energy: 1.4421346225783118
Energy: 1.3372826707646888
Energy: 1.4759677535631752
Energy: 1.2886999185924186
Energy: 1.443228841971512
Energy: 1.2886999185924186
Energy: 1.5219060421194952
Energy: 1.2890433773321235
Energy: 1.4643185038991964
Energy: 1.2890433773321235
Energy: 1.4225151491551014
Energy: 1.4546626006549164
Energy: 1.472125005576278
Energy: 1.454662600653394
Energy: 1.3928594311765763
Energy: 1.3442037999489722
Energy: 1.4788833869239297
Energy: 1.3442037999489722
Energy: 1.381281610350706
Energy: 1.3490664537039792
Energy: 1.4705124621610046
Energy: 1.3490664537032178
Energy: 1.459715477390707
Energy: 1.5042112561924288
Energy: 1.4073121182963388
Energy: 1.5042112561924288
Energy: 1.4891411435230386
Energy: 1.3583206954748133
Energy: 1.3703480254296283
Energy: 1.3583206954748133
Energy: 1.3817777015734631
Energy: 1.530282313308289
Energy: 1.3657540152787582
Energy: 1.530282313307528
Energy: 1.3837844901319785
Energy: 1.3754503248851524
Energy: 1.5322596000495987
Energy: 1.3754503248851524
Energy: 1.3617598774596928
Energy: 1.3644465548374478
Energy: 1.5181310426138963
Energy: 1.3644465548199407
Energy: 1.3661787927522857
Energy: 1.420579991714343
Energy: 1.3588437978703678
Energy: 1.420579991715104
Energy: 1.520186104221411
Energy: 1.3600640773944705
Energy: 1.3664307176729265
Energy: 1.3600640773952313

minimum gb energy = 1.1703345935699758 eV
minimum distance =  2.50789250260338 Angstroms
sigma value = 113


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

Energy: 0.01963190805457139
Energy: 0.12383448883488775
Energy: 1.2656989455865464
Energy: 0.020218475143386476
Energy: 0.4608113722209559
Energy: 0.12274489100709049
Energy: 0.49729620130404917
Energy: 0.1227448909922341
Energy: 0.47099391487743375
Energy: 0.12322419881199999
Energy: 0.3030763000411133
Energy: 0.12322419881199999
Energy: 1.2775536577996702
Energy: 0.1248232715594881
Energy: 0.019995325955774752
Energy: 0.12482327155890295
Energy: 0.4181115617016388
Energy: 0.2654732455243303
Energy: 0.503213077897207
Energy: 0.26547324553177476
Energy: 0.020180143298212824
Energy: 0.12334498935392788
Energy: 0.4180040385639974
Energy: 0.12334498935392788

minimum gb energy = 0.01963190805457139 eV
minimum distance =  2.69588264825844 Angstroms
sigma value = 1