Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Mo__MO_230319944007_000
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=3.150138273835182
cohesive_energy=6.810539053672873
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=[3.95157640656492e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017294576163325723
Energy: 1.5940668960303097
Energy: 2.9266976155966673
Energy: 0.01768309419403793
Energy: 1.5940668960303097
Energy: 0.2361932676613815
Energy: 1.5834160176008094
Energy: 0.2361932676622075
Energy: 2.926697615992225
Energy: 1.5834160176015895
Energy: 1.9612844430491694
Energy: 1.5834160176008094
Energy: 0.01768309419403793
Energy: 0.2361932676622075
Energy: 1.5834160176015895
Energy: 0.2361932676613815

minimum gb energy = 0.017294576163325723 eV
minimum distance =  2.68107241609734 Angstroms
sigma value = 1


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

Energy: 3.1436800633642488
Energy: 1.614569706243783
Energy: 1.6009439774084255
Energy: 1.62507065530586
Energy: 2.9103075560404403
Energy: 1.5153766557608737
Energy: 1.532349013927823
Energy: 1.5153766557588704
Energy: 2.9345456836094614
Energy: 1.4771317108314463
Energy: 1.475079660201834
Energy: 1.4771317108344513
Energy: 2.928561233072932
Energy: 1.510402630240269
Energy: 1.4750953820764314
Energy: 1.5104026302382656
Energy: 2.913950820247367
Energy: 1.477791967097757
Energy: 2.1112396071190718
Energy: 1.4777919670987587
Energy: 2.9293803233328073
Energy: 1.7282663916249537
Energy: 1.9680100904097135
Energy: 1.7282663916219485
Energy: 2.500183802660178
Energy: 1.8038487604499684
Energy: 2.024776110993859
Energy: 1.8038487604479652
Energy: 2.5156547500116537
Energy: 1.8054090213410297
Energy: 1.9606631134022297
Energy: 1.80540902133807
Energy: 2.46002355940916
Energy: 1.699499207196303
Energy: 2.222159333606209
Energy: 1.6994992071912942
Energy: 2.514387011174144
Energy: 1.7420685162342795
Energy: 2.526099392549635
Energy: 1.7420685162312741
Energy: 2.5500144160429934
Energy: 1.8039573357615388
Energy: 2.3595316642724984
Energy: 1.8039573357615388
Energy: 1.9622405196158965
Energy: 1.804192506861882
Energy: 2.5088852043048413
Energy: 1.804192506857875
Energy: 2.0427590899704176
Energy: 1.600766452399272
Energy: 2.502983534748768
Energy: 1.6007664523982703
Energy: 1.9931601874050113
Energy: 1.6754817560336615
Energy: 2.9314255018335915
Energy: 1.6754817560296544
Energy: 2.0207670289143125
Energy: 1.4778116108208188
Energy: 3.1544488618910584
Energy: 1.4778116108208188
Energy: 1.511628421578891
Energy: 1.5106827718414941
Energy: 2.966670184985274
Energy: 1.5106827718455011
Energy: 1.4770593556733356
Energy: 1.4773759066191863
Energy: 2.912164172743941
Energy: 1.4773759066191863
Energy: 1.5669941275486539
Energy: 1.5163870710781528
Energy: 2.901855960806059
Energy: 1.5163870710751475
Energy: 1.567757598849657
Energy: 1.4775696226232375
Energy: 3.388222848102526
Energy: 1.477569622625241
Energy: 1.759140279521126
Energy: 1.565625781949845
Energy: 2.9217634967497275
Energy: 1.565625781949845
Energy: 1.644473098505326
Energy: 1.6000771185241862
Energy: 2.914247236787925
Energy: 1.6000771185211806
Energy: 1.648227147379426
Energy: 1.476729194502184
Energy: 2.8306345305239784
Energy: 1.4767291945011825
Energy: 1.6464239036406902
Energy: 1.4781586580411568
Energy: 2.9217393838241548
Energy: 1.4781586580381971
Energy: 2.2718101983499137
Energy: 1.479986352938578
Energy: 2.8249489883287677
Energy: 1.479986352938578
Energy: 2.234885763870383
Energy: 1.8853222087500374
Energy: 2.7096119974862254
Energy: 1.8853222087490358
Energy: 2.2409256280686134
Energy: 1.8849953544792553
Energy: 2.2516139390772874
Energy: 1.8849953544802573
Energy: 2.2472007688444573
Energy: 1.7083196558936207
Energy: 2.470229808619224
Energy: 1.708319655891617
Energy: 2.8035757443283473
Energy: 1.8920879842777345
Energy: 2.2499228939621756
Energy: 1.8920879842747294
Energy: 2.633429808192298
Energy: 1.4779248322551144
Energy: 2.249291815900531
Energy: 1.477924832257118
Energy: 2.632552900716582
Energy: 1.4767951087404976
Energy: 1.7002437442793779
Energy: 1.4767951087414992
Energy: 2.806555020037363
Energy: 1.6449848232889472
Energy: 1.6594809936396324
Energy: 1.6449848232899489
Energy: 2.91286684101949
Energy: 1.6788356133951057
Energy: 1.6996265863301998
Energy: 1.6788356133971092
Energy: 2.9224771385278725
Energy: 1.5328920062543971
Energy: 1.8040181154036123
Energy: 1.5328920062564004

minimum gb energy = 1.475079660201834 eV
minimum distance =  2.53919263828045 Angstroms
sigma value = 1


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

Energy: 3.490694645250864
Energy: 1.5231729072878126
Energy: 1.524950124556802
Energy: 1.7328375840671741
Energy: 2.8534371456161236
Energy: 1.5226498570415887
Energy: 1.6557580371817047
Energy: 1.5226498570427307
Energy: 2.8560529639522203
Energy: 1.5218081683335924
Energy: 1.5214332883211719
Energy: 1.5218081683347344
Energy: 2.855234214863277
Energy: 1.522367655761751
Energy: 1.5227098489032869
Energy: 1.522367655762893
Energy: 2.93455434348087
Energy: 1.5234218054887987
Energy: 1.7567205342847458
Energy: 1.5234218054887987
Energy: 2.8555480432503386
Energy: 1.5223408007017964
Energy: 1.934252289192039
Energy: 1.5223408007017964
Energy: 2.894709505359976
Energy: 1.7653794348743248
Energy: 1.8847009252165807
Energy: 1.7653794348743248
Energy: 2.5939960389033265
Energy: 1.7660108985492948
Energy: 1.9398847991277164
Energy: 1.7660108985492948
Energy: 2.966373020479768
Energy: 1.7662446107624565
Energy: 1.9378205296646178
Energy: 1.7662446107613146
Energy: 2.591418934186519
Energy: 1.7650714282275954
Energy: 2.5462160156716136
Energy: 1.7650714282264532
Energy: 2.353110527608333
Energy: 1.7666015417739933
Energy: 2.412654353677625
Energy: 1.7666015417739933
Energy: 2.0073406084258014
Energy: 1.7651924300246433
Energy: 2.208926885543014
Energy: 1.7651924300246433
Energy: 1.9761054871692139
Energy: 1.765448230400628
Energy: 2.5522217326288827
Energy: 1.7654482304017702
Energy: 2.011547287822586
Energy: 1.7657352990666149
Energy: 2.890861959708613
Energy: 1.765735299067757
Energy: 2.006839897516896
Energy: 1.6579511792840058
Energy: 2.7965728912379677
Energy: 1.6579511792851482
Energy: 1.6562410396649563
Energy: 1.5228244115452831
Energy: 2.8624573377349947
Energy: 1.5228244115441407
Energy: 1.5231325758998497
Energy: 1.521399459961869
Energy: 2.892412232729213
Energy: 1.521399459960727
Energy: 1.5227017908595617
Energy: 1.522032545706191
Energy: 2.855602383491636
Energy: 1.5220325457050485
Energy: 1.6561909643862502
Energy: 1.5239862660425658
Energy: 2.932467478651639
Energy: 1.523986266041424
Energy: 2.048781800420663
Energy: 1.5233817677336565
Energy: 2.855743261434652
Energy: 1.5233817677325145
Energy: 1.882265855520552
Energy: 1.7656117164461418
Energy: 2.853501692627728
Energy: 1.7656117164461418
Energy: 1.8862233270271938
Energy: 1.7661121242166902
Energy: 2.5909803406947347
Energy: 1.7661121242155482
Energy: 1.9365229833426862
Energy: 1.7661499885682466
Energy: 2.971859384938728
Energy: 1.7661499885682466
Energy: 2.550053549677302
Energy: 1.7661335185248475
Energy: 2.5945079978901173
Energy: 1.7661335185248475
Energy: 2.2072020158686754
Energy: 1.7658440213317854
Energy: 2.5890923551743272
Energy: 1.7658440213317854
Energy: 2.2105038511800434
Energy: 1.7652893000621392
Energy: 2.010293992805986
Energy: 1.7652893000609968
Energy: 2.5502329498858405
Energy: 1.9228305285003686
Energy: 1.9705693961655573
Energy: 1.9228305285003686
Energy: 2.8907559979232254
Energy: 1.7653239152426003
Energy: 2.0092780147187623
Energy: 1.7653239152437425
Energy: 2.798144035341345
Energy: 1.6572712781088506
Energy: 2.0054846558478547
Energy: 1.6572712781088506

minimum gb energy = 1.521399459960727 eV
minimum distance =  2.58394410289977 Angstroms
sigma value = 25


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

Energy: 3.3042294075625867
Energy: 1.80984145597505
Energy: 1.741049754480936
Energy: 1.7813478087933428
Energy: 2.7025940501260513
Energy: 1.6674724960883454
Energy: 1.8178824055954819
Energy: 1.6674724960870178
Energy: 2.712038826406279
Energy: 1.6322459520142891
Energy: 1.6326604454566822
Energy: 1.6322459520156172
Energy: 2.7112615143268353
Energy: 1.659046507872846
Energy: 1.7410949847859354
Energy: 1.659046507872846
Energy: 2.9944239124487195
Energy: 1.6323029193226348
Energy: 2.322708350798823
Energy: 1.6323029193266179
Energy: 2.7111926172022436
Energy: 1.6587621556944174
Energy: 2.269314556752536
Energy: 1.6587621556957453
Energy: 2.7119868612834668
Energy: 1.9607982269877853
Energy: 2.287646449564839
Energy: 1.9607982269877853
Energy: 2.240997672074171
Energy: 1.959161193506818
Energy: 2.2421981868880576
Energy: 1.9591611935054907
Energy: 2.410775852623459
Energy: 1.9619997887427534
Energy: 2.2458341449606154
Energy: 1.9619997887414256
Energy: 2.2983071844980465
Energy: 1.8642503458383524
Energy: 2.71124756139089
Energy: 1.8642503458383524
Energy: 2.2519201447208075
Energy: 1.6320869063121655
Energy: 2.7455683046371915
Energy: 1.6320869063148211
Energy: 1.6578066206523971
Energy: 1.658664483592841
Energy: 2.746862349086671
Energy: 1.658664483592841
Energy: 1.632420440431481
Energy: 1.6312017247812707
Energy: 2.713713827171227
Energy: 1.631201724778615
Energy: 1.7426973129713896
Energy: 1.6678135685745772
Energy: 2.7018074920708757
Energy: 1.6678135685732494
Energy: 1.7420077972780519
Energy: 1.6335674172768637
Energy: 2.9805883895959338
Energy: 1.6335674172768637
Energy: 1.9991766871950878
Energy: 1.743546662035211
Energy: 2.7035087504470856
Energy: 1.743546662035211
Energy: 1.8562376320639808
Energy: 1.7934026756220494
Energy: 2.711102512107546
Energy: 1.7934026756220494
Energy: 1.858493200004656
Energy: 1.795710659990777
Energy: 2.577191033246267
Energy: 1.7957106599934323
Energy: 1.9265110992921612
Energy: 1.7958903054776088
Energy: 2.3961328679170455
Energy: 1.7958903054789366
Energy: 2.5793582000009425
Energy: 1.7943763431333897
Energy: 2.577342482681764
Energy: 1.7943763431347177
Energy: 2.388089573130186
Energy: 1.7961312792971238
Energy: 2.5778088660344833
Energy: 1.7961312792971238
Energy: 2.3893863199326297
Energy: 1.7953137512775117
Energy: 1.9320802329955102
Energy: 1.7953137512788395
Energy: 2.57711637040739
Energy: 1.848617255454811
Energy: 1.8761449685168927
Energy: 1.8486172554561084
Energy: 2.7004553951127783
Energy: 1.6676728817196587
Energy: 1.9326608246811046
Energy: 1.6676728817196587
Energy: 2.7088428513684684
Energy: 1.7149307850993878
Energy: 1.9586013220026344
Energy: 1.7149307850993878

minimum gb energy = 1.631201724778615 eV
minimum distance =  2.50813068091629 Angstroms
sigma value = 9


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

Energy: 2.9603145696943103
Energy: 1.8360589833582914
Energy: 1.835695411353734
Energy: 1.8709593452120417
Energy: 2.5532695253353923
Energy: 1.6548645007469722
Energy: 1.8302437617439875
Energy: 1.6548645007469722
Energy: 2.552772201789084
Energy: 1.6546684393506876
Energy: 1.6581898652660414
Energy: 1.6546684393491038
Energy: 2.553398432156372
Energy: 1.6548485415191345
Energy: 2.0284807288858566
Energy: 1.6548485415191345
Energy: 2.272428335980366
Energy: 1.654548321147026
Energy: 1.8891541053577194
Energy: 1.6545483211422745
Energy: 2.5527866958203993
Energy: 1.655288571499709
Energy: 2.2690444992962493
Energy: 1.6552885714981251
Energy: 2.5513777779665636
Energy: 1.7978196036285559
Energy: 1.63314176033073
Energy: 1.7978196036206362
Energy: 2.27405188144367
Energy: 1.7958059986543509
Energy: 2.2433778247206315
Energy: 1.7958059986638544
Energy: 2.322571460523809
Energy: 1.7963094704004956
Energy: 2.129293648318275
Energy: 1.7963094704004956
Energy: 2.2696667662239807
Energy: 1.8298838557719364
Energy: 2.5524468804995104
Energy: 1.8298838557719364
Energy: 2.083407110889148
Energy: 1.8401785432832107
Energy: 2.957073192072877
Energy: 1.8401785432816269
Energy: 1.8408233070531923
Energy: 1.6576023411427514
Energy: 2.500313483896412
Energy: 1.6576023411395835
Energy: 1.8412163279611171
Energy: 1.6572261044579832
Energy: 2.5527674995799168
Energy: 1.6572261044500634
Energy: 1.831512574189247
Energy: 1.6541777383843617
Energy: 2.552544992771171
Energy: 1.6541777383859457
Energy: 1.842886331757486
Energy: 1.6545522513568625
Energy: 2.275091192377046
Energy: 1.6545522513536945
Energy: 2.2790353235302154
Energy: 1.654425838059465
Energy: 2.554193036603718
Energy: 1.654425838057881
Energy: 1.6318891424114643
Energy: 1.7968616262403274
Energy: 2.552357347544745
Energy: 1.7968616262403274
Energy: 1.631299526843219
Energy: 1.7968086828975056
Energy: 2.270181313530522
Energy: 1.7968086828927539
Energy: 2.1317247849204097
Energy: 1.797204115393699
Energy: 2.322233866956199
Energy: 1.7972041154016183
Energy: 2.5536573712672794
Energy: 1.7955374302428708
Energy: 2.2774653914829655
Energy: 1.7955374302460387
Energy: 2.499780192661318
Energy: 1.8314387801950676
Energy: 2.2758192039729592
Energy: 1.8314387801934837

minimum gb energy = 1.631299526843219 eV
minimum distance =  2.55305346100471 Angstroms
sigma value = 25


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

Energy: 2.576202627249746
Energy: 2.778413608320897
Energy: 1.911469167157491
Energy: 2.024585800994235
Energy: 2.384270864441597
Energy: 1.8477637794764175
Energy: 2.071715840701979
Energy: 1.8477637794764175
Energy: 2.470629789577221
Energy: 1.823512259522359
Energy: 1.9523778695730427
Energy: 1.823512259522359
Energy: 2.4685521584588432
Energy: 1.8297023412188969
Energy: 1.962368174733491
Energy: 1.8297023412208557
Energy: 2.179024609295246
Energy: 1.8287249890478954
Energy: 2.1575742944175924
Energy: 1.8287249890478954
Energy: 2.4685887038263736
Energy: 1.8287692675166853
Energy: 2.3864342633567786
Energy: 1.8287692675166853
Energy: 2.4674609578648057
Energy: 1.8292723803201634
Energy: 2.452232197633012
Energy: 1.8292723803182045
Energy: 1.8270932381726552
Energy: 1.8293304912440493
Energy: 2.453664327503238
Energy: 1.8293304912460082
Energy: 1.8293261552684605
Energy: 1.821233328756166
Energy: 2.401455120130973
Energy: 1.821233328756166
Energy: 1.959519830161188
Energy: 1.8478052861067038
Energy: 2.403020332171621
Energy: 1.8478052861086627
Energy: 1.9573887621589352
Energy: 1.9566522062588485
Energy: 2.5082164456078777
Energy: 1.9566522062588485
Energy: 2.34923153036892
Energy: 1.8462632916295605
Energy: 2.3828604872325094
Energy: 1.8462632916315194
Energy: 2.158281011472414
Energy: 1.965009372233197
Energy: 2.40281565196617
Energy: 1.965009372233197
Energy: 2.150228724738082
Energy: 1.9652810004497328
Energy: 2.2584169382597272
Energy: 1.9652810004477739
Energy: 2.349254677347005
Energy: 1.9416438622367211
Energy: 2.1909891576019147
Energy: 1.94164386223868
Energy: 2.3811351603872857
Energy: 1.9657920488086011
Energy: 2.260125190513212
Energy: 1.9657920488105154
Energy: 2.288111422842003
Energy: 2.0728532853151638
Energy: 2.369668410374333
Energy: 2.0728532853151638

minimum gb energy = 1.821233328756166 eV
minimum distance =  2.55656884330163 Angstroms
sigma value = 17


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

Energy: 3.597922711389192
Energy: 2.192148745108609
Energy: 2.2105881148827535
Energy: 2.114080553962056
Energy: 2.2888470516719277
Energy: 2.0353316570057625
Energy: 2.1541793169990893
Energy: 2.0353316570068714
Energy: 2.321931976225559
Energy: 1.9568080822122744
Energy: 1.9338632006751617
Energy: 1.9568080822122744
Energy: 2.2775091309365543
Energy: 1.8815496734226407
Energy: 1.916887191774044
Energy: 1.8815496734204222
Energy: 2.358601538038786
Energy: 2.0148658135430053
Energy: 2.1509754141279007
Energy: 2.0148658135407866
Energy: 2.3253046345844663
Energy: 2.1092064755563964
Energy: 2.2620210924409263
Energy: 2.1092064755563964
Energy: 2.387917088682702
Energy: 2.005650380402764
Energy: 2.238407984080163
Energy: 2.0056503804016543
Energy: 2.0206885792356215
Energy: 2.0192976453448495
Energy: 2.3362158058232376
Energy: 2.0192976453448495
Energy: 1.9124823912630224
Energy: 1.9725480329013072
Energy: 2.2928767273447286
Energy: 1.9725480328990883
Energy: 1.8841159893890203
Energy: 1.9278525629716639
Energy: 2.2906234121136526
Energy: 1.9278525629716639
Energy: 2.082386200909032
Energy: 1.8686534952108118
Energy: 2.380670686388757
Energy: 1.8686534952097023
Energy: 2.297751943863119
Energy: 1.8839248245155193
Energy: 2.2903960842124422
Energy: 1.883924824517738
Energy: 2.249794336599254
Energy: 1.8847229569623516
Energy: 2.302248611331741
Energy: 1.884722956963461
Energy: 2.247783992839102
Energy: 1.885351690586451
Energy: 2.083018613313415
Energy: 1.8853516905919978
Energy: 2.262408551808731
Energy: 1.9293332940453813
Energy: 1.8850574152926731
Energy: 1.9293332940453813
Energy: 2.2617163974429757
Energy: 1.9997587222219093
Energy: 1.9222724451391493
Energy: 1.9997587222230186
Energy: 2.2964972761000517
Energy: 2.0187026852273764
Energy: 2.1272130155670417
Energy: 2.0187026852207204
Energy: 2.2968525665966415
Energy: 2.018569405101616
Energy: 2.3655386523642146
Energy: 2.018569405100507
Energy: 2.2617301224524784
Energy: 1.973492870793352
Energy: 2.277962750840859
Energy: 1.9734928707911332
Energy: 2.1584173094721995
Energy: 2.0114435486845936
Energy: 2.3017106878311684
Energy: 2.0114435486834834
Energy: 1.8431593008968596
Energy: 1.8808166882054331
Energy: 2.2789271440283736
Energy: 1.880816688206543
Energy: 1.964333811564413
Energy: 1.9546905089335476
Energy: 2.2843006857666057
Energy: 1.9546905089335476
Energy: 2.191252360532981
Energy: 2.0595428846170294
Energy: 2.2967834467295045
Energy: 2.059542884611533
Energy: 2.3515254271225903
Energy: 2.1650905898602724
Energy: 2.289456888046896
Energy: 2.1650905898602724
Energy: 2.2731208848983098
Energy: 1.9313765063294592
Energy: 2.283322620575055
Energy: 1.9313765063283497
Energy: 2.063924848914816
Energy: 2.0384662213399367
Energy: 2.2819963255793696
Energy: 2.0384662213421554
Energy: 2.147925572758739
Energy: 2.0393032955752894
Energy: 2.1272614862917654
Energy: 2.0393032955719614
Energy: 2.3215082147410824
Energy: 2.03922041070021
Energy: 2.133121496093647
Energy: 2.0392204107035385
Energy: 2.285577442714991
Energy: 1.9319795941881004
Energy: 2.338789056580309
Energy: 1.9319795941892097
Energy: 2.3291555939562354
Energy: 1.9034148109184608
Energy: 2.482372869651092
Energy: 1.9034148109162419

minimum gb energy = 1.8431593008968596 eV
minimum distance =  2.52747448119597 Angstroms
sigma value = 53


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

Energy: 1.672150586406144
Energy: 2.5655836959331695
Energy: 1.9914902077028465
Energy: 1.71057114244341
Energy: 2.122743277499729
Energy: 1.7198911326611235
Energy: 1.9910714171684594
Energy: 1.7198911326611235
Energy: 2.120899391816076
Energy: 1.755865147248172
Energy: 1.9895589938984974
Energy: 1.755865147248172
Energy: 2.1213150847937396
Energy: 1.7536404913974264
Energy: 2.308125359100916
Energy: 1.7536404913974264
Energy: 1.9853928897879742
Energy: 1.72141550081655
Energy: 2.3065780539932956
Energy: 1.72141550081655
Energy: 2.1213303154280285
Energy: 1.7541623101907096
Energy: 2.306833896792489
Energy: 1.7541623101907096
Energy: 2.1208131328287037
Energy: 1.7543254043613739
Energy: 1.6727835312885506
Energy: 1.7543254043613739
Energy: 1.9894402528189343
Energy: 1.720584120612694
Energy: 1.673024900459755
Energy: 1.720584120612694
Energy: 1.9884818885333333
Energy: 1.7547449455353168
Energy: 2.1218305438415124
Energy: 1.7547449455327626
Energy: 1.9891003813592363
Energy: 1.754284800465177
Energy: 2.1213008697062365
Energy: 1.754284800465177
Energy: 2.312985830733328
Energy: 2.073255746350398
Energy: 1.985511236968245
Energy: 2.0732557463478436
Energy: 2.309544118161816
Energy: 1.8664143701421783
Energy: 2.1312802332846266
Energy: 1.8664143701421783
Energy: 1.6730143799545039
Energy: 1.755615751700411
Energy: 2.1203142853794223
Energy: 1.755615751700411

minimum gb energy = 1.672150586406144 eV
minimum distance =  2.52795265607539 Angstroms
sigma value = 9


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

Energy: 2.810812408176854
Energy: 2.3736056913244643
Energy: 2.3737769703977514
Energy: 2.5101192693304584
Energy: 2.2883537991007374
Energy: 2.0434394341660997
Energy: 2.3742519561276647
Energy: 2.043439434164209
Energy: 2.26580328735731
Energy: 2.0420668846597616
Energy: 2.117601247919877
Energy: 2.04206688465598
Energy: 2.1714586664512163
Energy: 2.042287719629037
Energy: 2.053949749110214
Energy: 2.0422877196337206
Energy: 2.0250476283768135
Energy: 2.04406713617645
Energy: 2.215911953116214
Energy: 2.044067136177395
Energy: 2.341848559895341
Energy: 2.0449781592477483
Energy: 2.2865918686808855
Energy: 2.0449781592430214
Energy: 2.3756966294874817
Energy: 2.3763493626222743
Energy: 2.6531396244936256
Energy: 2.376349362621329
Energy: 2.5412294777103823
Energy: 2.37529531623113
Energy: 2.7630857675583407
Energy: 2.37529531623113
Energy: 2.419521955660833
Energy: 2.102916051542647
Energy: 2.41216901972895
Energy: 2.102916051542647
Energy: 2.0985742963340255
Energy: 2.1045525703599903
Energy: 2.1559685087298437
Energy: 2.1045525703618813
Energy: 2.4203512041347075
Energy: 2.0076697709185263
Energy: 1.9438819203624318
Energy: 2.007669770917581
Energy: 2.4340241952529995
Energy: 2.0368870454223718
Energy: 2.143886354693807
Energy: 2.0368870454252077
Energy: 2.6592011742429102
Energy: 2.219386196568432
Energy: 2.2267423353487352
Energy: 2.2193861965693773
Energy: 2.6564505428074647
Energy: 2.218429856730305
Energy: 2.6254796987879714
Energy: 2.218429856730305
Energy: 2.458734738684702
Energy: 2.1098304395661454
Energy: 2.570671884570796
Energy: 2.1098304395633094
Energy: 2.337115897558477
Energy: 2.1708670754829646
Energy: 2.4365110899867504
Energy: 2.170867075482019
Energy: 1.9855863590609255
Energy: 2.0085475380344566
Energy: 2.6079256084161875
Energy: 2.0085475380344566
Energy: 2.045723572104102
Energy: 2.0667263445065203
Energy: 2.570102981888038
Energy: 2.066726344505618
Energy: 2.096027486509778
Energy: 2.063626329501929
Energy: 2.6010500382650212
Energy: 2.0636263295028745
Energy: 2.170146742247092
Energy: 2.1752874208894095
Energy: 2.563565300899353
Energy: 2.175287420888464
Energy: 2.605846399191642
Energy: 2.065524794207532
Energy: 2.53644006333459
Energy: 2.0655247942103254
Energy: 2.696452581471815
Energy: 2.0768539816514027
Energy: 2.476251810128714
Energy: 2.0768539816504576
Energy: 2.6970579711100235
Energy: 2.077580587468698
Energy: 2.0740805942673326
Energy: 2.0775805874724793
Energy: 2.6373701600977766
Energy: 2.0369826057189577
Energy: 2.1200569965519844
Energy: 2.036982605719903
Energy: 2.5919380878746003
Energy: 2.0318927578163013
Energy: 2.010690622753054
Energy: 2.031892757818192
Energy: 2.2656320650394006
Energy: 2.1725625937073825
Energy: 2.0705782040287546
Energy: 2.1725625937092734
Energy: 2.6088321454277796
Energy: 2.093620673831425
Energy: 2.457063469486348
Energy: 2.093620673831425
Energy: 2.58173412478797
Energy: 2.1222105193785903
Energy: 2.602401264556443
Energy: 2.122210519380481
Energy: 2.2208985878184797
Energy: 2.2195995859291506
Energy: 2.6900040398651432
Energy: 2.2195995859291506
Energy: 2.2378615066123477
Energy: 2.0536641704570497
Energy: 2.521177299349893
Energy: 2.053664170456105
Energy: 2.0674349013632694
Energy: 2.0574515569925214
Energy: 2.379746846043455
Energy: 2.057451556991576
Energy: 2.0208955152650225
Energy: 2.014561435825843
Energy: 2.29958359423575
Energy: 2.014561435827733
Energy: 2.340031705238595
Energy: 2.1060989948015574
Energy: 2.303662676793278
Energy: 2.106098994802503
Energy: 2.3406894744349676
Energy: 2.049104308943114
Energy: 2.474861502761035
Energy: 2.049104308943114
Energy: 2.737928175221244
Energy: 2.383319854987686
Energy: 2.5862978737860574
Energy: 2.3833198549867407

minimum gb energy = 1.9438819203624318 eV
minimum distance =  2.52362274631745 Angstroms
sigma value = 73


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

Energy: 2.910230471385764
Energy: 2.455034802237314
Energy: 2.4554122113859704
Energy: 2.3135934920569508
Energy: 2.4618844371152915
Energy: 2.1856405050317327
Energy: 2.337875825323167
Energy: 2.1856405050317327
Energy: 2.2728898681654592
Energy: 2.0841669580016458
Energy: 2.2325721199914375
Energy: 2.0841669580016458
Energy: 2.1884706725927985
Energy: 2.078871783392667
Energy: 2.078426860523921
Energy: 2.078871783392667
Energy: 2.1893429785826553
Energy: 2.0846196388182885
Energy: 2.231686550227646
Energy: 2.084619638819788
Energy: 2.2551223393439392
Energy: 2.0997866056951153
Energy: 2.388729132513233
Energy: 2.0997866056951153
Energy: 2.3154337604687614
Energy: 2.313941573809168
Energy: 2.675152332065847
Energy: 2.3139415738076683
Energy: 2.5831006667811507
Energy: 2.313919415666306
Energy: 2.6751703501950166
Energy: 2.313919415666306
Energy: 2.5681403349097147
Energy: 2.1098358894778917
Energy: 2.4615686910810934
Energy: 2.1098358894778917
Energy: 2.1908175645403447
Energy: 2.1112684264682744
Energy: 2.094353940550476
Energy: 2.1112684264682744
Energy: 2.6271537084965937
Energy: 2.0212710153928906
Energy: 1.9771014410689793
Energy: 2.021271015391391
Energy: 2.4652892076652866
Energy: 2.1711065109426118
Energy: 2.113766363935939
Energy: 2.1711065109411125
Energy: 2.444936809801665
Energy: 2.095681985644844
Energy: 2.0958039548055822
Energy: 2.095681985644844
Energy: 2.4430910569844997
Energy: 2.0952916943279942
Energy: 2.597313393155809
Energy: 2.0952916943279942
Energy: 2.673311694925062
Energy: 2.1004108357917213
Energy: 2.731429385351735
Energy: 2.100410835790221
Energy: 2.3687936496042648
Energy: 2.09590809192777
Energy: 2.7099941829598295
Energy: 2.09590809192927
Energy: 2.0947370149711717
Energy: 2.0952159961719947
Energy: 2.704787908661349
Energy: 2.0952159961719947
Energy: 2.2540283290645218
Energy: 2.0979943199686226
Energy: 2.554963763844148
Energy: 2.097994319967123
Energy: 1.9778856602148427
Energy: 2.0202565147026705
Energy: 2.50061675240921
Energy: 2.0202565147041702
Energy: 2.1830550354974023
Energy: 2.110728390207353
Energy: 2.4643174561917416
Energy: 2.110728390208853
Energy: 2.3894197108148307
Energy: 2.0153939088131123
Energy: 2.6245712101629297
Energy: 2.0153939088131123
Energy: 2.69160585650509
Energy: 2.1875551331644036
Energy: 2.5410841219436606
Energy: 2.1875551331644036

minimum gb energy = 1.9771014410689793 eV
minimum distance =  2.48061691291809 Angstroms
sigma value = 7


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

Energy: 3.569241540194027
Energy: 3.095486295693841
Energy: 2.430532682466437
Energy: 2.708837065497551
Energy: 2.4234969089576435
Energy: 2.097683491449564
Energy: 2.2414806634181805
Energy: 2.0976834914485036
Energy: 2.4366795173445106
Energy: 2.089231136877071
Energy: 2.1866104319034005
Energy: 2.0892311368781313
Energy: 2.27346551067992
Energy: 2.0870913896140184
Energy: 2.1107593106637452
Energy: 2.0870913896129575
Energy: 2.2786145941513927
Energy: 2.088782533001674
Energy: 2.26768758568953
Energy: 2.088782533001674
Energy: 2.2373144188581198
Energy: 2.0974446475479134
Energy: 2.6014397974854995
Energy: 2.0974446475468533
Energy: 2.2399365512790514
Energy: 2.241241128737499
Energy: 2.619817073577547
Energy: 2.241241128737499
Energy: 2.645780901433871
Energy: 2.2388712979853307
Energy: 2.6092995697706587
Energy: 2.2388712979853307
Energy: 2.60273588746372
Energy: 2.1526339809469612
Energy: 2.5996567462891043
Energy: 2.1526339809480217
Energy: 2.2659508669185144
Energy: 2.1528750343154512
Energy: 2.0117971409483126
Energy: 2.1528750343154512
Energy: 2.6004128586308224
Energy: 2.009002122617087
Energy: 2.0077701447124707
Energy: 2.009002122617087
Energy: 2.489463187947204
Energy: 2.139209810822632
Energy: 2.2441148511109894
Energy: 2.139209810823692
Energy: 2.640475508132502
Energy: 2.0104751071799267
Energy: 2.183983569359898
Energy: 2.0104751071799267
Energy: 2.6170302419564977
Energy: 2.1521736854769955
Energy: 2.421041738040739
Energy: 2.1521736854769955
Energy: 2.5977604681849362
Energy: 2.0964152530115823
Energy: 2.4248077010560456
Energy: 2.0964152530126428
Energy: 2.4923704256520804
Energy: 2.097011563456457
Energy: 2.9422220239646815
Energy: 2.097011563456457
Energy: 2.4252608138117737
Energy: 2.096224076860706
Energy: 2.9730822330994364
Energy: 2.096224076860706
Energy: 2.3062158336269736
Energy: 2.1221314432608396
Energy: 2.436642133769326
Energy: 2.122131443259779
Energy: 2.114312836676523
Energy: 2.0888623238134216
Energy: 2.269497250762772
Energy: 2.0888623238123616
Energy: 2.1855471276352225
Energy: 2.092937253684373
Energy: 2.117145089887536
Energy: 2.092937253683313
Energy: 2.2715668890829877
Energy: 2.1224062823002567
Energy: 2.242102452720052
Energy: 2.1224062823002567
Energy: 2.6286543985262445
Energy: 2.238656022140964
Energy: 2.239444859372301
Energy: 2.238656022140964
Energy: 2.6281690084798583
Energy: 2.2406750411571035
Energy: 2.5142329334872993
Energy: 2.240675041156043
Energy: 2.6002285123958204
Energy: 2.0099875044570736
Energy: 2.6471899878438654
Energy: 2.0099875044581346
Energy: 2.424144387467178
Energy: 2.1527228689847604
Energy: 2.2657623577200177
Energy: 2.1527228689858204
Energy: 2.0109983535204896
Energy: 2.009276467762838
Energy: 2.2680303210042836
Energy: 2.009276467762838
Energy: 2.079494881199198
Energy: 2.2318008010167456
Energy: 2.621174727404054
Energy: 2.231800801014625
Energy: 2.0111369695217785
Energy: 2.012102484564585
Energy: 2.691195416382163
Energy: 2.0121024845635245
Energy: 2.011576387688217
Energy: 2.152916784150412
Energy: 2.634752748945033
Energy: 2.152916784150412
Energy: 2.423811222864338
Energy: 2.0124549261564098
Energy: 2.688436297405478
Energy: 2.0124549261564098
Energy: 2.9687476585408117
Energy: 2.0968945540837716
Energy: 2.688323769854302
Energy: 2.0968945540827106

minimum gb energy = 2.0077701447124707 eV
minimum distance =  2.49200286594466 Angstroms
sigma value = 29


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

Energy: 2.659823133298607
Energy: 2.66830543160017
Energy: 2.2640441880714612
Energy: 2.0885210540783756
Energy: 2.4082446919848293
Energy: 1.8905880337228689
Energy: 2.2613978055586075
Energy: 1.8905880337228689
Energy: 2.489371402611478
Energy: 1.942711049180306
Energy: 2.1147290429131456
Energy: 1.9427110491791977
Energy: 2.3681460332653885
Energy: 1.8889352541291493
Energy: 1.7462238202809501
Energy: 1.8889352541287798
Energy: 2.369382422238213
Energy: 1.965674459537316
Energy: 2.264571138164088
Energy: 1.9656744595369466
Energy: 2.367356834275792
Energy: 1.886472065957954
Energy: 2.2657388260487674
Energy: 1.8864720659582823
Energy: 2.563899198061716
Energy: 2.2597086868483878
Energy: 2.0632921036957037
Energy: 2.2597086868494953
Energy: 2.415608763888863
Energy: 2.0739740229134584
Energy: 2.204709332020875
Energy: 2.0739740229134584
Energy: 2.3464090552269017
Energy: 2.052922792091185
Energy: 2.322371487522072
Energy: 2.052922792091185

minimum gb energy = 1.7462238202809501 eV
minimum distance =  2.42768720296944 Angstroms
sigma value = 5


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

Energy: 2.9776997372263985
Energy: 2.940711985171331
Energy: 2.835988302485602
Energy: 2.777192347881855
Energy: 1.953432775409484
Energy: 2.147891936202668
Energy: 2.491657688113025
Energy: 2.147891936202668
Energy: 1.9546989316640233
Energy: 1.9515406623151643
Energy: 2.466737860564818
Energy: 1.9515406623111573
Energy: 1.9551279449876426
Energy: 2.0614840037233835
Energy: 2.366751152659594
Energy: 2.0614840037213793
Energy: 1.9575544512427479
Energy: 1.952025800941435
Energy: 2.491672223929541
Energy: 1.9520258009384297
Energy: 2.0217587920695523
Energy: 1.9973591197952856
Energy: 2.337768521832333
Energy: 1.9973591197962872
Energy: 2.0271938115044517
Energy: 2.1146150399838803
Energy: 2.288408150958481
Energy: 2.1146150399808743
Energy: 2.0228940608487442
Energy: 1.9948042530204648
Energy: 2.343043158136222
Energy: 1.9948042530234702
Energy: 2.5430071123332234
Energy: 1.9978476139181067
Energy: 2.3353129916112096
Energy: 1.9978476139201105
Energy: 2.4538253440629716
Energy: 2.372227750535543
Energy: 2.398788523110204
Energy: 2.3722277505385483
Energy: 2.71406912824798
Energy: 2.1770479082511387
Energy: 2.6127218488625936
Energy: 2.1770479082471317
Energy: 2.3478940221060998
Energy: 2.1208295623003215
Energy: 2.548120759855226
Energy: 2.120829562303326
Energy: 2.287852182456569
Energy: 2.2883714152703
Energy: 2.548124569718932
Energy: 2.288371415272304
Energy: 2.363209368867763
Energy: 2.210255637513761
Energy: 2.025962675310035
Energy: 2.210255637513761
Energy: 2.2849504859012635
Energy: 2.114966291609263
Energy: 2.0228910925689365
Energy: 2.114966291607259
Energy: 2.28468365330939
Energy: 1.9951311987031628
Energy: 2.040764451735966
Energy: 1.9951311987031628
Energy: 2.47898021550216
Energy: 2.172180647236197
Energy: 2.1882180761784333
Energy: 2.1721806472351957
Energy: 2.473015777107007
Energy: 1.9522262786226385
Energy: 1.9535725909334671
Energy: 1.9522262786256441
Energy: 2.4639633058737376
Energy: 2.06333725524767
Energy: 1.9532678571070674
Energy: 2.063337255246668
Energy: 2.520011284475727
Energy: 1.980340892737598
Energy: 1.9553575996679553
Energy: 1.980340892737598
Energy: 2.508512905241129
Energy: 2.297334714745558
Energy: 2.641567740878924
Energy: 2.2973347147415506
Energy: 2.6326876017848226
Energy: 2.208185702453952
Energy: 2.642186773986723
Energy: 2.2081857024569573
Energy: 2.6135956254729744
Energy: 2.0970190222449725
Energy: 2.283793365815863
Energy: 2.0970190222449725
Energy: 2.5528351168111616
Energy: 2.049952719153962
Energy: 2.0987905078214064
Energy: 2.0499527191579685
Energy: 2.5528867435970746
Energy: 2.04837514974402
Energy: 2.075015542005131
Energy: 2.0483751497430185
Energy: 2.3805583686222263
Energy: 2.040672120905915
Energy: 2.259447197059238
Energy: 2.0406721209089205
Energy: 2.1312907040292792
Energy: 2.041870663392028
Energy: 2.1277515434509944
Energy: 2.041870663395033
Energy: 2.1316260057424063
Energy: 2.044276175047567
Energy: 2.136969973368276
Energy: 2.0442761750505727
Energy: 2.356092053735005
Energy: 2.166582419051022
Energy: 2.3824965474113213
Energy: 2.1665824190520238
Energy: 2.074485027950157
Energy: 2.0492387246577075
Energy: 2.456851715689683
Energy: 2.049238724661714
Energy: 2.098582028321624
Energy: 2.0492719159004573
Energy: 2.456783575895871
Energy: 2.0492719158994555
Energy: 2.282912874191047
Energy: 2.0971614157940386
Energy: 2.6312988099228436
Energy: 2.09716141579504
Energy: 2.7424810228365186
Energy: 2.6283433691387668
Energy: 2.763241082873903
Energy: 2.6283433691397686

minimum gb energy = 1.9515406623111573 eV
minimum distance =  2.43102701814377 Angstroms
sigma value = 1


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

Energy: 3.2230915033693868
Energy: 2.635112487345392
Energy: 2.33965446499567
Energy: 2.1757973286709813
Energy: 1.9621880355046024
Energy: 1.9224917417205238
Energy: 2.1173246048712095
Energy: 1.922491741721909
Energy: 1.9600011058033793
Energy: 1.921319074669897
Energy: 2.2947293954323262
Energy: 1.921319074669897
Energy: 1.9612355437772415
Energy: 1.936459012774826
Energy: 2.0355283507373754
Energy: 1.936459012774826
Energy: 1.9613883081631567
Energy: 1.9219131857834764
Energy: 2.2433161709589946
Energy: 1.9219131857834764
Energy: 1.963831026558446
Energy: 1.9219924872310843
Energy: 2.241570487852446
Energy: 1.921992487229699
Energy: 1.9650557282762398
Energy: 1.9383636498622252
Energy: 2.295242301582099
Energy: 1.9383636498608403
Energy: 1.9646196170643606
Energy: 1.9186952763924308
Energy: 2.2166968916410434
Energy: 1.9186952763938157
Energy: 1.962988359069503
Energy: 1.9214125199074403
Energy: 2.215615559120749
Energy: 1.9214125199074403
Energy: 2.270406740574287
Energy: 2.586193748393153
Energy: 2.41085526488259
Energy: 2.586193748391768
Energy: 1.9613487677987018
Energy: 1.9220416945064391
Energy: 2.301048685463242
Energy: 1.9220416945064391
Energy: 1.9623616830804345
Energy: 1.936252049673767
Energy: 2.502694423192733
Energy: 1.936252049673767
Energy: 1.96296417986232
Energy: 1.936160583980422
Energy: 2.502736917161162
Energy: 1.9361605839818068
Energy: 2.117705666977101
Energy: 1.9970130281667042
Energy: 1.962979917045045
Energy: 1.9970130281667042
Energy: 2.0349487523990963
Energy: 1.9356713948833233
Energy: 1.9613445542272747
Energy: 1.9356713948833233
Energy: 2.0341188475612904
Energy: 1.9211008674440706
Energy: 1.960842890715384
Energy: 1.9211008674440706
Energy: 2.3787492271900925
Energy: 1.9507922038405805
Energy: 1.9604772434425939
Energy: 1.9507922038405805
Energy: 2.29571123961066
Energy: 1.9215752041422276
Energy: 1.9606821105228436
Energy: 1.9215752041408425
Energy: 2.2939904034757124
Energy: 2.076694921182262
Energy: 1.960537600899721
Energy: 2.076694921182262
Energy: 2.210012654487238
Energy: 1.9220137747033539
Energy: 1.9638301168611618
Energy: 1.9220137747033539
Energy: 2.2151887138351714
Energy: 2.214927587664903
Energy: 2.271061208606449
Energy: 2.2149275876787224
Energy: 2.3022922990656634
Energy: 2.2169649890403003
Energy: 2.271358382265196
Energy: 2.2169649890389156
Energy: 2.300906765181104
Energy: 1.9967725569984742
Energy: 1.9601134874472612
Energy: 1.9967725569984742
Energy: 2.5044470390608295
Energy: 1.936544674526267
Energy: 1.9610675514875338
Energy: 1.9365446745165715

minimum gb energy = 1.9186952763924308 eV
minimum distance =  2.47129760494908 Angstroms
sigma value = 17


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

Energy: 3.030801040132983
Energy: 2.789254580127196
Energy: 2.744501074885483
Energy: 2.66486246438183
Energy: 1.938068273155755
Energy: 1.964383769055356
Energy: 2.4826605325808853
Energy: 1.9643837690544999
Energy: 1.9377063825352594
Energy: 1.9356139827685805
Energy: 2.431695880559545
Energy: 1.9356139827720051
Energy: 1.938269174552453
Energy: 1.9353254780634581
Energy: 2.4154158095179143
Energy: 1.9353254780626021
Energy: 1.9374996225120276
Energy: 1.935662206595988
Energy: 2.2879552221270245
Energy: 1.9356622065942761
Energy: 2.0921421922128096
Energy: 1.9838919309129048
Energy: 2.1438710911088488
Energy: 1.9838919309129048
Energy: 2.093146250266616
Energy: 1.9785475396125025
Energy: 2.0908946401322175
Energy: 1.9785475396125025
Energy: 2.137551037440654
Energy: 1.9775316597985533
Energy: 2.152130894607882
Energy: 1.9775316597994095
Energy: 2.4312356735110505
Energy: 1.9357774206373208
Energy: 1.981510527025087
Energy: 1.9357774206338965
Energy: 2.343785551280292
Energy: 1.9355714203981198
Energy: 1.9374983230319656
Energy: 1.9355714203912708
Energy: 2.466146409697869
Energy: 1.935869339221465
Energy: 1.9372641636560557
Energy: 1.9358693392206088
Energy: 2.4241030732551305
Energy: 1.964020557542406
Energy: 2.685938351436562
Energy: 1.9640205575415497
Energy: 2.7497124277529417
Energy: 2.422948019163095
Energy: 2.6231603355210518
Energy: 2.422948019167375
Energy: 2.464061263008786
Energy: 2.123352991837136
Energy: 1.9363426436727773
Energy: 2.1233529918379923
Energy: 2.4108737385269476
Energy: 2.0597604534340817
Energy: 2.0860365333533046
Energy: 2.0597604534306573
Energy: 2.575001229518485
Energy: 1.9357807698334155
Energy: 2.0583445204475397
Energy: 1.935780769831703
Energy: 2.0181406299700497
Energy: 1.9653254959459723
Energy: 2.330717141803339
Energy: 1.965325495942548
Energy: 2.0252241249836906
Energy: 2.015280735860937
Energy: 2.2034150638987016
Energy: 2.0152807358549443
Energy: 2.019383198231046
Energy: 1.9674493575742664
Energy: 2.2128541372881325
Energy: 1.967449357580259
Energy: 2.123131762688695
Energy: 2.219859989127968
Energy: 2.396531638724376
Energy: 2.219859989130536
Energy: 1.9919401032731798
Energy: 1.9472543458695826
Energy: 2.3469149620297842
Energy: 1.9472543458695826
Energy: 1.966747970463383
Energy: 1.9471903400681867
Energy: 2.348168913495661
Energy: 1.9471903400630501
Energy: 1.966482119800319
Energy: 2.238924605797137
Energy: 2.378777191355414
Energy: 2.2389246057997054
Energy: 2.5521561125476007
Energy: 2.342284773701993
Energy: 2.3448005715134266
Energy: 2.342284773696856
Energy: 2.6277821573540803
Energy: 1.9519574382380347
Energy: 2.406421895368419
Energy: 1.951957438241459
Energy: 2.186704256567519
Energy: 1.9477374898301902
Energy: 2.688648383089135
Energy: 1.9477374898327586
Energy: 2.39486315043151
Energy: 2.3730582519142907
Energy: 2.5755363930624626
Energy: 2.373058251915147
Energy: 2.2973850964418325
Energy: 1.9473244306722237
Energy: 2.209859569616625
Energy: 1.9473244306739361
Energy: 2.352187547641669
Energy: 1.9478704256694221
Energy: 1.9665472429993156
Energy: 1.9478704256651418
Energy: 2.270502340962403
Energy: 1.9989264843044714
Energy: 1.9686173090884418
Energy: 1.9989264843053276
Energy: 2.3603257357861676
Energy: 1.9477769274951984
Energy: 1.9692935184655969
Energy: 1.9477769274969106
Energy: 2.2712232308865588
Energy: 1.9872331628317983
Energy: 2.0229182558417587
Energy: 1.9872331628309423
Energy: 2.2033854754962787
Energy: 2.015387740488142
Energy: 2.021736312244063
Energy: 2.0153877404812937
Energy: 2.203608153512194
Energy: 1.9681621878146105
Energy: 2.023911017997101
Energy: 1.968162187815467
Energy: 2.0975570951007967
Energy: 1.9356669575047423
Energy: 2.020757991816604
Energy: 1.9356669574978935
Energy: 2.0880388932458263
Energy: 2.0879950421387785
Energy: 2.5557035504020265
Energy: 2.0879950421379223
Energy: 1.9358868053800073
Energy: 1.9356057922142937
Energy: 2.643348142716751
Energy: 1.935605792216862
Energy: 2.6729011321413676
Energy: 1.9675301663035416
Energy: 2.5431504664241644
Energy: 1.9675301663018294

minimum gb energy = 1.9353254780626021 eV
minimum distance =  2.44709874404355 Angstroms
sigma value = 89


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

Energy: 3.4948941099640813
Energy: 2.2654321630464613
Energy: 2.266950556553307
Energy: 1.8966152550547952
Energy: 1.9110958384083914
Energy: 1.8810542633133067
Energy: 1.9100886285579108
Energy: 1.8810542633110667
Energy: 1.9104278583291074
Energy: 1.880175267050465
Energy: 2.125089243122771
Energy: 1.880175267050465
Energy: 1.9068366404992432
Energy: 1.8817758082961016
Energy: 2.124375991587423
Energy: 1.8817758082961016
Energy: 1.9121619400338952
Energy: 1.881959593628346
Energy: 2.1270805135188886
Energy: 1.881959593628346
Energy: 2.0336864893773816
Energy: 1.8685784284256566
Energy: 2.03786592239885
Energy: 1.8685784284278963
Energy: 2.037209654556523
Energy: 1.8716835458176522
Energy: 2.0372592102623264
Energy: 1.8716835458176522
Energy: 2.1157943639563497
Energy: 1.8728245674895165
Energy: 2.1949537594852178
Energy: 1.8728245674895165
Energy: 2.1271090519306712
Energy: 1.8805697192852662
Energy: 1.9110961079212703
Energy: 1.8805697192852662
Energy: 2.345689616396833
Energy: 1.8821670625653002
Energy: 1.911571538936388
Energy: 1.8821670625653002
Energy: 2.3440548974897335
Energy: 1.8812704698756761
Energy: 1.9107070027603192
Energy: 1.8812704698756761
Energy: 2.3293232071050127
Energy: 1.881004318266629
Energy: 2.3095603017914548
Energy: 1.881004318266629
Energy: 2.2857422732019756
Energy: 1.910179646031033
Energy: 2.3098566184901417
Energy: 1.910179646031033
Energy: 2.2867237453842018
Energy: 2.036880571945583
Energy: 1.9114429480692774
Energy: 2.036880571945583
Energy: 2.5191953273995593
Energy: 1.8815440683488756
Energy: 1.9105568420701446
Energy: 1.8815440683488756

minimum gb energy = 1.8685784284256566 eV
minimum distance =  2.46781616840595 Angstroms
sigma value = 13


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

Energy: 2.2297957836107627
Energy: 2.1910783876303963
Energy: 2.191097217454649
Energy: 1.8542509621846848
Energy: 1.852788052556539
Energy: 1.8332018705952693
Energy: 1.9716716076567025
Energy: 1.833201870596208
Energy: 1.8487883077305696
Energy: 1.8325632350047698
Energy: 2.1587799215272114
Energy: 1.832563235003831
Energy: 1.8484990212754278
Energy: 1.8326944887845946
Energy: 2.1582041763299378
Energy: 1.8326944887855334
Energy: 2.0582344539652078
Energy: 1.9930858131694615
Energy: 2.005846008839792
Energy: 1.9930858131685225
Energy: 2.0612558403586347
Energy: 1.7800889952255985
Energy: 1.9026754445356058
Energy: 1.7800889952255985
Energy: 2.0550525629289527
Energy: 1.778555537505726
Energy: 1.9371034531766373
Energy: 1.778555537505726
Energy: 2.1248968641732153
Energy: 1.7778505958326767
Energy: 1.908809569418807
Energy: 1.7778505958326767
Energy: 2.0545160576370214
Energy: 1.7789157955885884
Energy: 1.9016768557490493
Energy: 1.7789157955885884
Energy: 2.0529406476348475
Energy: 1.7801997921637474
Energy: 1.9040321357019327
Energy: 1.7801997921628085
Energy: 2.059577109686951
Energy: 1.783716219792636
Energy: 2.0046357874536715
Energy: 1.7837162197916974
Energy: 1.8473717361017594
Energy: 1.8326018104050261
Energy: 2.323671285778956
Energy: 1.832601810405965
Energy: 1.8468366394862152
Energy: 1.8333818830088688
Energy: 2.3216531736562995
Energy: 1.8333818830098076
Energy: 1.8476362265696404
Energy: 1.8461927095717965
Energy: 2.323968367526113
Energy: 1.8461927095717965
Energy: 2.4654036723982493
Energy: 1.8332341960756944
Energy: 2.234342508814719
Energy: 1.8332341960756944
Energy: 2.467028492430334
Energy: 1.8323993626906308
Energy: 2.2661094494717746
Energy: 1.8323993626906308
Energy: 1.848381218730734
Energy: 1.8342567143706405
Energy: 2.22219975980913
Energy: 1.8342567143715796
Energy: 1.8469755985476077
Energy: 1.8327294639766998
Energy: 2.1505105886645115
Energy: 1.8327294639766998
Energy: 1.8566800076855352
Energy: 1.8326506101734195
Energy: 2.205487990657576
Energy: 1.8326506101724807
Energy: 2.065617296912889
Energy: 1.8334583927473211
Energy: 1.8506213477678328
Energy: 1.8334583927482604
Energy: 2.233429381998056
Energy: 1.8475425506262217
Energy: 1.8537770780716973
Energy: 1.8475425506271603
Energy: 2.0101778457899817
Energy: 1.833490083961896
Energy: 1.8486344204628269
Energy: 1.8334900839609571
Energy: 1.9042523767671584
Energy: 1.777737975626032
Energy: 2.054785249045165
Energy: 1.777737975626971
Energy: 1.9008885801941944
Energy: 1.7776235055029947
Energy: 1.9378305578092545
Energy: 1.777623505502056
Energy: 1.9048884628881657
Energy: 1.7789013312086912
Energy: 2.056317206984093
Energy: 1.77890133120963
Energy: 1.9037692120692997
Energy: 1.7849017500733821
Energy: 2.124264034204047
Energy: 1.7849017500715045
Energy: 1.899691958817686
Energy: 1.7848933930550448
Energy: 2.053982672894387
Energy: 1.7848933930569226
Energy: 2.004023606522289
Energy: 1.7783208061962674
Energy: 2.056963019020275
Energy: 1.7783208061962674
Energy: 2.0061498717178856
Energy: 1.8332874273086828
Energy: 1.8504019498602904
Energy: 1.833287427306805
Energy: 2.0492367147254256
Energy: 1.8327363940707846
Energy: 1.8492706951078646
Energy: 1.8327363940707846
Energy: 2.3238857601559366
Energy: 1.833484026556362
Energy: 1.847925071186896
Energy: 1.833484026556362
Energy: 2.2286545824706243
Energy: 1.8323283088650266
Energy: 2.466005419865888
Energy: 1.8323283088640876
Energy: 2.2671982409607536
Energy: 1.856271154522938
Energy: 2.465065675854812
Energy: 1.8562711545219994
Energy: 2.2208444882473057
Energy: 1.8474865858460914
Energy: 1.8499241454276412
Energy: 1.8474865858460914
Energy: 2.477082459681527
Energy: 1.8337954480501713
Energy: 1.8462716988031191
Energy: 1.8337954480492322

minimum gb energy = 1.777623505502056 eV
minimum distance =  2.47936987848489 Angstroms
sigma value = 37


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

Energy: 2.263613772911455
Energy: 2.086062490767255
Energy: 2.082059660722102
Energy: 1.7932129269782817
Energy: 1.7767979829612204
Energy: 1.7704180975572066
Energy: 1.7896566673695549
Energy: 1.7704180975588217
Energy: 1.7778917478496334
Energy: 1.7697043133756873
Energy: 2.126746729841409
Energy: 1.7697043133789183
Energy: 1.7779535910424364
Energy: 1.7702114162851617
Energy: 2.1272394866560145
Energy: 1.7702114162851617
Energy: 1.9768021986876079
Energy: 1.8104424465797477
Energy: 1.9121562917183248
Energy: 1.8104424465797477
Energy: 1.9285816694927302
Energy: 1.6950091561928635
Energy: 1.8001767187458588
Energy: 1.6950091561912484
Energy: 1.9308290127055636
Energy: 1.6949624805580659
Energy: 1.7994091954480436
Energy: 1.6949624805580659
Energy: 2.0215397372812833
Energy: 1.6922885841492037
Energy: 1.8707581866964005
Energy: 1.6922885841492037
Energy: 1.8807273113134892
Energy: 1.632844181960162
Energy: 1.880921310980895
Energy: 1.632844181960162
Energy: 1.881898191721021
Energy: 1.6328612327204444
Energy: 1.88298018678597
Energy: 1.6328612327220595
Energy: 2.0136506301687938
Energy: 1.8530131948902198
Energy: 2.009375573479438
Energy: 1.8530131948886048
Energy: 1.8009555423263504
Energy: 1.6928415781180224
Energy: 2.0477211454421327
Energy: 1.692841578116407
Energy: 1.7992210745312185
Energy: 1.693213292382607
Energy: 2.045601499464288
Energy: 1.6932132923842222
Energy: 1.9128335368220968
Energy: 1.7780269153089838
Energy: 2.0510400411616296
Energy: 1.7780269153089838
Energy: 2.0259332621615513
Energy: 1.7699589416002508
Energy: 1.7772723444681964
Energy: 1.7699589415986352
Energy: 2.283207074536338
Energy: 1.7699804816824816
Energy: 1.7775418844185447
Energy: 1.7699804816824816
Energy: 2.0183247394249024
Energy: 1.8093185909135818
Energy: 1.7763725029160249
Energy: 1.8093185909135818
Energy: 2.0820647468842095
Energy: 2.1288957789855063
Energy: 2.4012344812601945
Energy: 2.1288957789855063
Energy: 1.7779228580055757
Energy: 1.7700452756017147
Energy: 2.0063674502965774
Energy: 1.7700452756017147
Energy: 1.7693896176147959
Energy: 1.7706723865999299
Energy: 1.776980605147827
Energy: 1.7706723865983145

minimum gb energy = 1.632844181960162 eV
minimum distance =  2.48280753569839 Angstroms
sigma value = 25


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

Energy: 2.24815268689156
Energy: 2.0595090444565294
Energy: 1.993350099777851
Energy: 1.9894171696740375
Energy: 1.660424419520029
Energy: 1.6660227342514295
Energy: 1.6674352170176698
Energy: 1.6660227342526908
Energy: 1.6597391387263478
Energy: 1.6621399615602264
Energy: 1.9376961850018644
Energy: 1.6621399615614878
Energy: 1.6617784940158002
Energy: 1.6616144989153712
Energy: 1.9106176108839832
Energy: 1.6616144989166322
Energy: 1.7731498583735874
Energy: 1.6617911641675955
Energy: 1.7468628590934647
Energy: 1.6617911641713794
Energy: 1.914334970042196
Energy: 1.584264770627605
Energy: 1.6532567915616094
Energy: 1.5842647706301276
Energy: 1.915496570471905
Energy: 1.5849554779699386
Energy: 1.6565874479308398
Energy: 1.5849554779712
Energy: 1.820411692191272
Energy: 1.7354828317333508
Energy: 1.8179909642713477
Energy: 1.735482831730828
Energy: 1.6772498027202216
Energy: 1.4926561428318388
Energy: 1.8552387320187125
Energy: 1.4926561428305773
Energy: 1.6823846811519987
Energy: 1.4932143677624379
Energy: 1.84932604737221
Energy: 1.4932143677624379
Energy: 1.7430627754794958
Energy: 1.6776105667100591
Energy: 1.8427440355471632
Energy: 1.6776105667100591
Energy: 1.744016179422507
Energy: 1.4626475402973722
Energy: 1.7420290722072942
Energy: 1.462647540299895
Energy: 1.7431838580946644
Energy: 1.4628000898687639
Energy: 1.743646231907002
Energy: 1.4628000898712865
Energy: 1.8395876824982011
Energy: 1.4957237820778413
Energy: 1.7014964694328365
Energy: 1.49572378207658
Energy: 1.8555012211674502
Energy: 1.4947089533253186
Energy: 1.6808921249759707
Energy: 1.4947089533240572
Energy: 1.854990329939666
Energy: 1.4936588780141187
Energy: 1.6767390985945765
Energy: 1.4936588780128572
Energy: 1.7080593957510903
Energy: 1.5841719075919523
Energy: 1.8209063282468203
Energy: 1.5841719075919523
Energy: 1.6784327511367563
Energy: 1.5841911693382238
Energy: 1.8520374463369873
Energy: 1.5841911693382238
Energy: 1.6514302579865112
Energy: 1.584575303844437
Energy: 1.9967978728594509
Energy: 1.5845753038456984
Energy: 1.7464003696296968
Energy: 1.6661178030684978
Energy: 1.6982212976721307
Energy: 1.6661178030672363
Energy: 2.148604220705101
Energy: 1.8224984068651413
Energy: 1.7550118845401723
Energy: 1.8224984068664023
Energy: 1.7474930368569956
Energy: 1.6659784264966535
Energy: 1.6608039881889027
Energy: 1.6659784264966535
Energy: 1.6670920730689494
Energy: 1.6618171322949138
Energy: 2.1103711860294316
Energy: 1.6618171322936528
Energy: 1.9459879607879484
Energy: 1.6649539042702053
Energy: 2.077251680446472
Energy: 1.6649539042702053
Energy: 1.6609390569226534
Energy: 1.6666829677682984
Energy: 1.6607073491059798
Energy: 1.6666829677657755
Energy: 2.0592889132484222
Energy: 1.7477198404589707
Energy: 1.6609648681088744
Energy: 1.747719840460232

minimum gb energy = 1.4626475402973722 eV
minimum distance =  2.46905768095627 Angstroms
sigma value = 41


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

Energy: 2.3460026365698217
Energy: 1.883481799236801
Energy: 1.8263124909647244
Energy: 1.833578667145716
Energy: 1.5576935788579898
Energy: 1.5618666501007654
Energy: 1.5580242726903164
Energy: 1.5618666500997316
Energy: 1.5556327901998004
Energy: 1.5585305678571688
Energy: 1.6101623293941016
Energy: 1.558530567856135
Energy: 1.672097822507907
Energy: 1.6351873188900312
Energy: 1.8706152240421285
Energy: 1.6351873188900312
Energy: 1.6478604366019993
Energy: 1.5508204386706512
Energy: 1.5425511217134729
Energy: 1.550820438668583
Energy: 1.871857865505701
Energy: 1.4914950516429748
Energy: 1.5435091370076974
Energy: 1.491495051640907
Energy: 1.8724581879431943
Energy: 1.4910281374409062
Energy: 1.5667379549446534
Energy: 1.4910281374429744
Energy: 1.676654685208812
Energy: 1.6602950433611956
Energy: 1.5982673525967528
Energy: 1.6602950433601615
Energy: 1.5446588318641374
Energy: 1.402315574739436
Energy: 1.7649387307751443
Energy: 1.4023155747415041
Energy: 1.5445621964051286
Energy: 1.401260365856831
Energy: 1.764846328907537
Energy: 1.401260365854763
Energy: 1.6891586296022045
Energy: 1.3501901750278889
Energy: 1.6762901913761565
Energy: 1.3501901750278889
Energy: 1.721232430379172
Energy: 1.3507488574919277
Energy: 1.576363317729061
Energy: 1.3507488574929618
Energy: 1.6994546575386584
Energy: 1.3514035451468942
Energy: 1.577220092683206
Energy: 1.3514035451468942
Energy: 1.702471725390355
Energy: 1.3328810559167126
Energy: 1.6339468704025097
Energy: 1.3328810559187805
Energy: 1.6372757276622527
Energy: 1.3319213370412097
Energy: 1.6380625030700688
Energy: 1.3319213370401757
Energy: 1.6402871513555854
Energy: 1.332383409435812
Energy: 1.6671355197865467
Energy: 1.332383409435812
Energy: 1.5920723142712794
Energy: 1.3511283682951598
Energy: 1.7022125193431041
Energy: 1.351128368294126
Energy: 1.5764190937160327
Energy: 1.3500621116543006
Energy: 1.721282344872408
Energy: 1.3500621116543006
Energy: 1.6251995337102383
Energy: 1.3501807324200747
Energy: 1.7227472722102166
Energy: 1.3501807324200747
Energy: 1.676590824726227
Energy: 1.4013936976381354
Energy: 1.5697961919196701
Energy: 1.4013936976391694
Energy: 1.8203762943427295
Energy: 1.4041060232886695
Energy: 1.545836227844984
Energy: 1.4041060232907374
Energy: 1.8338549572175777
Energy: 1.405170854266646
Energy: 1.6058100875626145
Energy: 1.4051708542656587
Energy: 1.5955586011733889
Energy: 1.493487309956491
Energy: 1.6066145572759094
Energy: 1.4934873099554566
Energy: 1.5412436100560152
Energy: 1.4914549811045867
Energy: 1.816152300781468
Energy: 1.4914549811035525
Energy: 1.6207623209686177
Energy: 1.4938274352036212
Energy: 1.7624756044907932
Energy: 1.4938274352056893
Energy: 1.8912187007079524
Energy: 1.6263038570421922
Energy: 1.6593372764167873
Energy: 1.6263038570370216
Energy: 1.863728348760718
Energy: 1.6254225587296645
Energy: 1.6341114755238895
Energy: 1.6254225587296645
Energy: 1.6208101870865586
Energy: 1.6198857232763608
Energy: 1.5551887422336355
Energy: 1.619885723274293
Energy: 1.6338033064544122
Energy: 1.5556073988044554
Energy: 2.00561476670654
Energy: 1.5556073988075576
Energy: 1.5605936030835064
Energy: 1.5578877245676577
Energy: 2.005790050546783
Energy: 1.5578877245676577
Energy: 1.5577171127776896
Energy: 1.5646346178174404
Energy: 1.5561752248888272
Energy: 1.564634617814338
Energy: 1.8913486090067702
Energy: 1.6350546453246706
Energy: 1.6352454188719563
Energy: 1.6350546453288068

minimum gb energy = 1.3319213370401757 eV
minimum distance =  2.48646708284923 Angstroms
sigma value = 15


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

Energy: 2.1134675123456748
Energy: 1.7933416518603165
Energy: 1.7440944900948068
Energy: 1.705641649682988
Energy: 1.4711183140266504
Energy: 1.4689468552413996
Energy: 1.4702396272824332
Energy: 1.4689468552326392
Energy: 1.4639897087569946
Energy: 1.4663502063611025
Energy: 1.5090063136859815
Energy: 1.4663502063611025
Energy: 1.5753054316623578
Energy: 1.5348281520809113
Energy: 1.7082498827892207
Energy: 1.534828152082663
Energy: 1.5466011115879905
Energy: 1.4116548096396941
Energy: 1.4526363532167546
Energy: 1.4116548096431982
Energy: 1.7045224869734827
Energy: 1.4113964682776188
Energy: 1.4528705566050173
Energy: 1.411396468275867
Energy: 1.732711021544435
Energy: 1.4110105547357814
Energy: 1.5039583958823775
Energy: 1.4110105547366576
Energy: 1.5657494062609218
Energy: 1.467993744026386
Energy: 1.4966824071333487
Energy: 1.467993744030766
Energy: 1.4452303879075958
Energy: 1.3278264641004034
Energy: 1.7373113616092928
Energy: 1.3278264640995274
Energy: 1.4842431818483177
Energy: 1.3276385562742876
Energy: 1.736847500001407
Energy: 1.3276385562786677
Energy: 1.61297587518786
Energy: 1.2728157874876644
Energy: 1.556253989244678
Energy: 1.272815787485912
Energy: 1.6542479546881823
Energy: 1.2718526163295731
Energy: 1.4603895815389198
Energy: 1.2718526163286972
Energy: 1.6234083735637
Energy: 1.2719133646003007
Energy: 1.4950483363202471
Energy: 1.2719133646029286
Energy: 1.5726967583179148
Energy: 1.2447160028688735
Energy: 1.58245891504557
Energy: 1.2447160028688735
Energy: 1.4985089282898636
Energy: 1.2393562688699542
Energy: 1.6199161829551925
Energy: 1.2393562688664503
Energy: 1.4977409014604715
Energy: 1.242412726977122
Energy: 1.600583267049091
Energy: 1.2424127269762462
Energy: 1.552816473108277
Energy: 1.228487465776548
Energy: 1.5934349220717066
Energy: 1.228487465777424
Energy: 1.5520633521088094
Energy: 1.2279750808014653
Energy: 1.5517675241162547
Energy: 1.2279750807997134
Energy: 1.569184088998509
Energy: 1.2275097428000399
Energy: 1.551233542522703
Energy: 1.2275097428000399
Energy: 1.5959842148078276
Energy: 1.2437224383937855
Energy: 1.5079237561127796
Energy: 1.2437224383920336
Energy: 1.6201053446936418
Energy: 1.242800930827841
Energy: 1.4983462475820575
Energy: 1.242800930827841
Energy: 1.6181188016052679
Energy: 1.2434977394714317
Energy: 1.5761424877960912
Energy: 1.2434977394731834
Energy: 1.4761991024323904
Energy: 1.273430749449751
Energy: 1.5703938733158733
Energy: 1.273430749449751
Energy: 1.4610879261790384
Energy: 1.2730924664826488
Energy: 1.6966818274188102
Energy: 1.2730924664835246
Energy: 1.5571333568653005
Energy: 1.2708975391390878
Energy: 1.7093140040209656
Energy: 1.2708975391460957
Energy: 1.5575508282808421
Energy: 1.3288225286193414
Energy: 1.4650442259796117
Energy: 1.3288225286237216
Energy: 1.6960549044968838
Energy: 1.3286154541913449
Energy: 1.4450147455492701
Energy: 1.3286154541922208
Energy: 1.4960619157574642
Energy: 1.3298825064762412
Energy: 1.5016951135016794
Energy: 1.329882506467481
Energy: 1.5019168708642037
Energy: 1.4117105025477439
Energy: 1.7317477251072793
Energy: 1.4117105025477439
Energy: 1.453734034541175
Energy: 1.4115296304504323
Energy: 1.7309343330922238
Energy: 1.4115296304495564
Energy: 1.4556985570948713
Energy: 1.5427860790385772
Energy: 1.4910775846657536
Energy: 1.5427860790368253
Energy: 1.838077977601386
Energy: 1.5348454902539275
Energy: 1.565803106424289
Energy: 1.5348454902521755
Energy: 1.5776637109201752
Energy: 1.5263689015955635
Energy: 1.4688634130224956
Energy: 1.5263689015841753
Energy: 1.4494389057625754
Energy: 1.415163301277598
Energy: 1.538343579678391
Energy: 1.415163301278474
Energy: 1.7489521141185653
Energy: 1.7438213783514678
Energy: 1.6393948050068292
Energy: 1.7438213783514678
Energy: 1.4705279211556455
Energy: 1.4667495112001556
Energy: 1.5262828955832222
Energy: 1.4667495112185513
Energy: 1.5090483191619342
Energy: 1.4698378056323596
Energy: 1.4677443363148792
Energy: 1.4698378056332357

minimum gb energy = 1.2275097428000399 eV
minimum distance =  2.46370362821394 Angstroms
sigma value = 85


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

Energy: 2.1236558632830222
Energy: 1.6108344192715607
Energy: 1.6121996579267235
Energy: 1.486815049892616
Energy: 1.3521205168452568
Energy: 1.3571151107687023
Energy: 1.357640308768966
Energy: 1.3571151107656634
Energy: 1.3521731158178472
Energy: 1.3559268201515902
Energy: 1.4559794774465076
Energy: 1.3559268201515902
Energy: 1.4592661504856763
Energy: 1.4211711187442775
Energy: 1.3651351505294025
Energy: 1.4211711187419982
Energy: 1.3777946143065818
Energy: 1.3106648632947724
Energy: 1.3438325799120916
Energy: 1.3106648632940125
Energy: 1.366020356823326
Energy: 1.311734725444815
Energy: 1.3434486592884423
Energy: 1.311734725444815
Energy: 1.365021730775232
Energy: 1.3114286076008712
Energy: 1.3979030037088807
Energy: 1.3114286076023909
Energy: 1.3901535049364093
Energy: 1.3588983757813529
Energy: 1.3886719703698336
Energy: 1.35889837579047
Energy: 1.3374097156614924
Energy: 1.2388545868636693
Energy: 1.3665131320068469
Energy: 1.238854586865189
Energy: 1.3785321667185508
Energy: 1.2379803492669292
Energy: 1.3745862466599963
Energy: 1.2379803492654098
Energy: 1.3740205571190347
Energy: 1.1850946448206134
Energy: 1.4364909253105433
Energy: 1.1850946448206134
Energy: 1.6081745750505003
Energy: 1.1847885066606167
Energy: 1.3480238969563425
Energy: 1.184788506662896
Energy: 1.4451430113020756
Energy: 1.184715003873958
Energy: 1.3820704410247777
Energy: 1.1847150038754777
Energy: 1.4446184361891286
Energy: 1.1496845239351574
Energy: 1.4923740642069967
Energy: 1.1496845239381965
Energy: 1.3746392500687479
Energy: 1.1493046736426065
Energy: 1.5436311225921702
Energy: 1.1493046736418469
Energy: 1.398266626096332
Energy: 1.149917957892579
Energy: 1.468266462971786
Energy: 1.1499179578933387
Energy: 1.4884226833396805
Energy: 1.1288518319032164
Energy: 1.4658399369405977
Energy: 1.1288518319032164
Energy: 1.5158657285414787
Energy: 1.1293700616467728
Energy: 1.4129733839881906
Energy: 1.1293700616475324
Energy: 1.4817243325855842
Energy: 1.1290716919769686
Energy: 1.4253984580628623
Energy: 1.1290716919746895
Energy: 1.4620627297921525
Energy: 1.1234138297444995
Energy: 1.4626030471343812
Energy: 1.1234138297460192
Energy: 1.460557884147323
Energy: 1.1243394685574009
Energy: 1.4608984139473906
Energy: 1.1243394685551216
Energy: 1.436029979141637
Energy: 1.122558796252855
Energy: 1.4833314852275752
Energy: 1.122558796252855
Energy: 1.421718177238233
Energy: 1.129217626548105
Energy: 1.5163593674176108
Energy: 1.1292176265465856
Energy: 1.4131201428300253
Energy: 1.1296718998167616
Energy: 1.5161458206960141
Energy: 1.129671899815242
Energy: 1.4674419845131814
Energy: 1.1304667190626836
Energy: 1.3955570903083525
Energy: 1.1304667190611641
Energy: 1.5779363346008948
Energy: 1.1490465300898118
Energy: 1.3907974825997056
Energy: 1.1490465300890522
Energy: 1.577743810429639
Energy: 1.1496091556965649
Energy: 1.374411050932437
Energy: 1.149609155695805
Energy: 1.3758323427597812
Energy: 1.4105795686715812
Energy: 1.4449157842798872
Energy: 1.410579568648063
Energy: 1.3668395970433218
Energy: 1.1844472543409217
Energy: 1.4934784096213223
Energy: 1.1844472543386426
Energy: 1.3479766776690314
Energy: 1.1845912983551399
Energy: 1.4937370229514304
Energy: 1.1845912983551399
Energy: 1.4365480616212232
Energy: 1.23840210816408
Energy: 1.3741330757456565
Energy: 1.2384021081663592
Energy: 1.4873476577241027
Energy: 1.2382436739238531
Energy: 1.3588786974904783
Energy: 1.2382436739246128
Energy: 1.4752661981931885
Energy: 1.2394134438719184
Energy: 1.3376607122671906
Energy: 1.239413443873438
Energy: 1.393823899797264
Energy: 1.3124800303612034
Energy: 1.3900430793162715
Energy: 1.312480030362723
Energy: 1.3852605729658607
Energy: 1.312299381766537
Energy: 1.638099023193194
Energy: 1.3122993817672968
Energy: 1.3440206073006618
Energy: 1.3125818306381618
Energy: 1.4277392872378614
Energy: 1.3125818306374366
Energy: 1.3363562016621513
Energy: 1.3570242511673323
Energy: 1.3854761976399432
Energy: 1.3570242511696116
Energy: 1.4682621907506848
Energy: 1.4633426471493398
Energy: 1.4199280723847503
Energy: 1.46334264714858
Energy: 1.3439529482331305
Energy: 1.3565160684122368
Energy: 1.3520773687539949
Energy: 1.356516068411477
Energy: 1.3477392541510864
Energy: 1.3554355845299118
Energy: 1.3378626300896685
Energy: 1.3554355845291521
Energy: 1.4186091934649725
Energy: 1.4212451110980313
Energy: 1.4692740096171915
Energy: 1.4212451110965119
Energy: 1.352367511190615
Energy: 1.351163529787382
Energy: 1.419139318273379
Energy: 1.351163529788142
Energy: 1.5711431262337632
Energy: 1.413362935415759
Energy: 1.4189034378268783
Energy: 1.4133629354119603

minimum gb energy = 1.122558796252855 eV
minimum distance =  2.49896959695991 Angstroms
sigma value = 113


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

Energy: 0.019566579347650007