Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Cu__SM_239791545509_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620386689901352
cohesive_energy=3.5402784093701025
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01364628583559334
Energy: 0.014036891651165638
Energy: 0.013791429819885091
Energy: 0.014036891651790988
Energy: 0.014036891651165638
Energy: 0.5447763247472418
Energy: 0.014036891651165638
Energy: 0.5447763247472418
Energy: 0.013791429820475699
Energy: 0.014036891651165638
Energy: 0.01364628583559334
Energy: 0.014036891651165638
Energy: 0.014036891651165638
Energy: 0.5447763247472418
Energy: 0.014036891651790988
Energy: 0.5447763247466513

minimum gb energy = 0.01364628583559334 eV
minimum distance =  2.48060649560783 Angstroms
sigma value = 1


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

Energy: 0.8697939457342088
Energy: 0.9138556703373802
Energy: 0.8666576197068852
Energy: 0.9138556703373802
Energy: 0.8283549212616935
Energy: 0.9745915222361766
Energy: 0.8312271960114637
Energy: 0.9745915222361766
Energy: 0.9297073327118561
Energy: 0.916473224040348
Energy: 0.8767005583098265
Energy: 0.916473224040348
Energy: 0.8388280200313615
Energy: 0.9393571465616282
Energy: 0.8173066408312689
Energy: 0.9393571465608697
Energy: 0.8493655341345967
Energy: 0.9435194712069164
Energy: 0.8139858711559125
Energy: 0.9435194712069164
Energy: 0.8098103853783932
Energy: 1.0254643437801363
Energy: 0.7961891218239466
Energy: 1.0254643437793782
Energy: 0.8559379388979849
Energy: 0.9483510254029106
Energy: 0.8096480233023783
Energy: 0.9483510254029106
Energy: 0.7883902827581557
Energy: 0.9452521834846848
Energy: 0.7737461235429609
Energy: 0.9452521834854432
Energy: 0.8128436139147113
Energy: 0.9103132601646274
Energy: 0.9134975620152775
Energy: 0.9103132601638689
Energy: 0.7755441442696692
Energy: 0.9051823758552995
Energy: 0.7832573990787722
Energy: 0.9051823758552995
Energy: 0.9250075554095171
Energy: 0.9279277689078541
Energy: 0.8128050958427442
Energy: 0.9279277689078541
Energy: 0.8737322805197122
Energy: 0.943667457633181
Energy: 0.7991825113590975
Energy: 0.943667457633181
Energy: 0.8307249782874817
Energy: 0.9757246881317176
Energy: 0.8561776482618476
Energy: 0.9757246881317176
Energy: 0.8797970176199751
Energy: 0.9478829229286603
Energy: 0.8391941956513049
Energy: 0.9478829229294188
Energy: 0.8450406628368659
Energy: 0.9773010678811589
Energy: 0.9987409635566162
Energy: 0.9773010678811589
Energy: 0.8636640894637515
Energy: 0.978644964800018
Energy: 0.8278227832872987
Energy: 0.9786449648007765
Energy: 0.8765922968809238
Energy: 0.916396709136631
Energy: 0.8384742825678042
Energy: 0.916396709136631
Energy: 0.8313667724538599
Energy: 0.9766741951765008
Energy: 0.856909702111767
Energy: 0.9766741951765008
Energy: 0.7846366157013895
Energy: 0.944434335515125
Energy: 0.7842888160025843
Energy: 0.944434335515125
Energy: 0.9207854077947096
Energy: 0.8216219958305335
Energy: 0.8143141617555715
Energy: 0.8216219958305335
Energy: 0.7928684696372488
Energy: 0.9061714970548552
Energy: 0.7758440550749793
Energy: 0.9061714970556137
Energy: 0.8138333646037382
Energy: 1.0394113788067076
Energy: 0.9230932332226426
Energy: 1.0394113788067076
Energy: 0.9012430022356887
Energy: 0.9443959011798504
Energy: 0.8437592328874524
Energy: 0.9443959011798504
Energy: 0.8778637761001041
Energy: 0.9413788126201077
Energy: 0.8093746383816836
Energy: 0.941378812620866
Energy: 0.8094003806964515
Energy: 1.026388959715896
Energy: 0.9427981321358253
Energy: 1.026388959715896
Energy: 0.8740805169328413
Energy: 0.9435529808004733
Energy: 0.9368558297168702
Energy: 0.9435529807997148
Energy: 0.8257695967629768
Energy: 0.9393880236462978
Energy: 0.8189451977758236
Energy: 0.9393880236470561
Energy: 0.9350105031006747
Energy: 0.9030705543431341
Energy: 0.857110642128327
Energy: 0.9030705543431341
Energy: 0.8274996722812801
Energy: 0.9759423623809987
Energy: 0.8279222980382072
Energy: 0.9759423623809987
Energy: 0.8869360669243327
Energy: 0.9239505622691414
Energy: 0.8601914033828887
Energy: 0.9239505622691414
Energy: 0.8629059724502852
Energy: 0.9478482317667322
Energy: 0.8309804449341993
Energy: 0.9478482317667322
Energy: 0.8059534884546676
Energy: 0.9380621636492448
Energy: 0.8795350187407618
Energy: 0.9380621636484863
Energy: 0.8699141042775522
Energy: 0.9390089651388063
Energy: 0.8173173202055075
Energy: 0.9390089651388063

minimum gb energy = 0.7737461235429609 eV
minimum distance =  2.32774794810939 Angstroms
sigma value = 1


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

Energy: 0.9196497398931588
Energy: 0.9702128501299101
Energy: 0.9123990581626118
Energy: 0.9702128501299101
Energy: 0.8658987493365949
Energy: 1.0196101159089255
Energy: 0.8613414014833927
Energy: 1.0196101159089255
Energy: 0.9946419082660595
Energy: 1.0162949714479543
Energy: 0.8676226085219843
Energy: 1.0162949714488194
Energy: 0.8323986772798222
Energy: 0.8361308536646114
Energy: 0.8453716601166057
Energy: 0.8361308536637467
Energy: 0.8324625683474763
Energy: 1.0029601864683788
Energy: 0.9313641399395512
Energy: 1.0029601864683788
Energy: 0.9250701636167775
Energy: 0.98836391321444
Energy: 0.8772623383215977
Energy: 0.9883639132135753
Energy: 0.9311817938158364
Energy: 0.9959925000067478
Energy: 0.8545536926462876
Energy: 0.9959925000067478
Energy: 0.8088739513819226
Energy: 1.0126072939983886
Energy: 0.818126043167254
Energy: 1.012607293997524
Energy: 0.8437444510165603
Energy: 0.8590803669197676
Energy: 0.9763928202955637
Energy: 0.8590803669206324
Energy: 0.8132848351370713
Energy: 1.0118832819612247
Energy: 0.9119356495716828
Energy: 1.0118832819612247
Energy: 0.8492844359035585
Energy: 1.0123968003899728
Energy: 0.8694297572240961
Energy: 1.0123968003908375
Energy: 0.8351879955485099
Energy: 0.9705465644795873
Energy: 0.8669637641516201
Energy: 0.9705465644804521
Energy: 0.8970757515793844
Energy: 1.0148323745382015
Energy: 0.8479241813163588
Energy: 1.0148323745382015
Energy: 0.897565584632027
Energy: 1.0147905222591653
Energy: 0.8480051039198807
Energy: 1.0147905222591653
Energy: 0.8351920598897872
Energy: 0.9705485741241151
Energy: 0.886871003987806
Energy: 0.9705485741241151
Energy: 0.8490877581506302
Energy: 1.0122629008770716
Energy: 0.8493878120397393
Energy: 1.0122629008770716
Energy: 0.8132346127358714
Energy: 1.011875791781395
Energy: 0.8623205034948072
Energy: 1.011875791781395
Energy: 0.8437451439192892
Energy: 0.8590949740135325
Energy: 0.976297014121562
Energy: 0.8590949740126678
Energy: 0.8086200939607067
Energy: 1.011169954785072
Energy: 0.8154613019383088
Energy: 1.011169954785072
Energy: 0.9317411819257231
Energy: 1.0485584859016561
Energy: 0.8450618065546098
Energy: 1.0485584859007915
Energy: 0.9250299071864808
Energy: 0.9882871661213996
Energy: 0.8404994412874417
Energy: 0.9882871661213996
Energy: 0.8321760647823885
Energy: 1.0027896158576026
Energy: 0.8421565337809122
Energy: 1.0027896158576026
Energy: 0.8323183932783509
Energy: 0.8360305973988956
Energy: 0.8544708733895408
Energy: 0.8360305965777977
Energy: 0.9948263541490436
Energy: 1.0159549434827375
Energy: 0.8846448262399382
Energy: 1.0159549434827375
Energy: 0.8681104939182439
Energy: 1.0196733805816507
Energy: 0.8612391148262937
Energy: 1.0196733805816507
Energy: 0.9196497398931588
Energy: 0.9702128501299101
Energy: 0.9992892817158511
Energy: 0.9702128501299101
Energy: 0.8658987493365949
Energy: 1.0196101159089255
Energy: 0.8613414014833927
Energy: 1.0196101159089255
Energy: 0.9946419082669242
Energy: 1.0162949714488194
Energy: 0.9147122799090004
Energy: 1.0162949714479543
Energy: 0.832398677280687
Energy: 0.8361308536611526
Energy: 0.8389677573727712
Energy: 0.836130853662882

minimum gb energy = 0.8086200939607067 eV
minimum distance =  2.29619216325772 Angstroms
sigma value = 25


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

Energy: 0.8804860548050596
Energy: 0.9770846493654345
Energy: 0.9624067870380265
Energy: 0.9770846493654345
Energy: 0.9177870906725818
Energy: 1.0386862580872647
Energy: 0.9232969858863369
Energy: 1.0386862580872647
Energy: 1.0563087529660338
Energy: 1.0686821415733543
Energy: 0.8812373113487945
Energy: 1.0686821415733543
Energy: 0.8510773021089836
Energy: 1.0046404682600838
Energy: 0.8770341446332963
Energy: 1.0046404682600838
Energy: 0.8770218045550974
Energy: 1.023422309569101
Energy: 1.0000764070629682
Energy: 1.023422309569101
Energy: 0.9864073836553892
Energy: 1.0507891810024266
Energy: 0.9970586990002099
Energy: 1.0507891810024266
Energy: 0.8990531574179417
Energy: 0.8911675966568912
Energy: 0.8944847231705385
Energy: 0.8911675966578966
Energy: 1.0559969353509255
Energy: 1.0293685282937957
Energy: 0.861135359018284
Energy: 1.0293685282937957
Energy: 0.8945419803554794
Energy: 0.991031473530382
Energy: 0.8987128705265817
Energy: 0.9910314735313872
Energy: 0.8811088960771
Energy: 1.0472787189880026
Energy: 0.8765630135427401
Energy: 1.0472787189880026
Energy: 0.8864993716434179
Energy: 1.061088315776928
Energy: 0.9047169617517943
Energy: 1.061088315776928
Energy: 0.8910589422081118
Energy: 1.0250998867222623
Energy: 1.0240754347562007
Energy: 1.0250998867222623
Energy: 0.8810893614109034
Energy: 0.9330993088429209
Energy: 0.8782438559491967
Energy: 0.9330993088429209
Energy: 0.8945069153625561
Energy: 0.9256178675090254
Energy: 0.8987205505454818
Energy: 0.9256178675090254
Energy: 0.898067851254134
Energy: 1.0281152223491672
Energy: 0.8682910829947855
Energy: 1.0281152223491672
Energy: 0.943191141524414
Energy: 0.8916477631036441
Energy: 0.8764458069530131
Energy: 0.8916477631036441
Energy: 0.8508474221124506
Energy: 1.044726822717082
Energy: 0.8402888044555185
Energy: 1.044726822717082
Energy: 0.876939314504021
Energy: 1.0249132076961875
Energy: 0.8901026643965443
Energy: 1.0249132076961875
Energy: 0.851070446661961
Energy: 1.0049220809387842
Energy: 0.8765908983078796
Energy: 1.004922080937779
Energy: 0.8985626778667835
Energy: 1.049135698678651
Energy: 0.8809720578529909
Energy: 1.049135698678651
Energy: 0.8991816175118077
Energy: 1.008551431603225
Energy: 0.8772752577209049
Energy: 1.008551431603225
Energy: 0.9015456369164269
Energy: 0.9970321611673586
Energy: 0.9641606271186847
Energy: 0.9970321611663534
Energy: 0.9042081683006785
Energy: 1.0596533217351398
Energy: 0.9199768885919746
Energy: 1.0596533217351398
Energy: 1.0669943650226636
Energy: 1.025197582908069
Energy: 0.8811144935499735
Energy: 1.025197582908069
Energy: 1.0375614746653763
Energy: 0.879696376934959
Energy: 0.8768183561662023
Energy: 0.8796963769450113

minimum gb energy = 0.8402888044555185 eV
minimum distance =  2.29272251606196 Angstroms
sigma value = 9


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

Energy: 0.9148944794048548
Energy: 1.0607770504005345
Energy: 1.0262563567024534
Energy: 1.0607770504005345
Energy: 0.9528559152966624
Energy: 1.1037582527003358
Energy: 0.9652887317017134
Energy: 1.1037582526991365
Energy: 0.9158545729294549
Energy: 1.0023900881734604
Energy: 0.9229465910219814
Energy: 1.0023900881734604
Energy: 1.070307344574892
Energy: 0.929345410977677
Energy: 0.9061688600647917
Energy: 0.9293454112329893
Energy: 1.0329689812215124
Energy: 1.027445435021402
Energy: 1.0483801374309438
Energy: 1.027445435021402
Energy: 0.8801697318344376
Energy: 1.0024158906018887
Energy: 1.1572366645714758
Energy: 1.0024158906018887
Energy: 0.9563005909802279
Energy: 0.9004587914899574
Energy: 0.9065994533585247
Energy: 0.9004587914899574
Energy: 1.0152911923299366
Energy: 0.9555474805898033
Energy: 0.9060467779906065
Energy: 0.9555474805886041
Energy: 0.9293705767292513
Energy: 1.1036190579438534
Energy: 0.9680542962019448
Energy: 1.1036190579438534
Energy: 0.9455109748307152
Energy: 1.0027646245229234
Energy: 0.9480530010519747
Energy: 1.0027646245229234
Energy: 0.8966950385707363
Energy: 1.0403418956333927
Energy: 0.9064034083249493
Energy: 1.0403418956333927
Energy: 0.979613517719146
Energy: 0.9879965334941238
Energy: 0.9059239429785159
Energy: 0.9879965334941238
Energy: 0.8645824483108864
Energy: 1.094640932721519
Energy: 0.8851006103440175
Energy: 1.094640932721519
Energy: 0.9425299297605343
Energy: 0.9358615270421552
Energy: 1.0021666576632162
Energy: 0.9358615270421552
Energy: 0.8645571790757048
Energy: 1.0947927342736348
Energy: 1.015136730254552
Energy: 1.0947927342736348
Energy: 0.9797527188439373
Energy: 0.9908105877755524
Energy: 0.9059154890266444
Energy: 0.9908105877755524
Energy: 0.8968885128032391
Energy: 1.0402317236482213
Energy: 0.922008305610371
Energy: 1.0402317236482213
Energy: 0.9453501779301013
Energy: 1.0026390588210432
Energy: 0.9480943005848406
Energy: 1.0026390588210432
Energy: 0.9292514770617415
Energy: 1.1035848164744968
Energy: 0.9533040975742699
Energy: 1.1035848164744968
Energy: 1.0152331312782903
Energy: 0.9556129812776778
Energy: 0.9060678272036792
Energy: 0.9556129812764786
Energy: 0.9561192713198481
Energy: 0.9004406913173082
Energy: 0.9067103410150232
Energy: 0.9004406913173082

minimum gb energy = 0.8645571790757048 eV
minimum distance =  2.38281912810855 Angstroms
sigma value = 25


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

Energy: 0.9453764868184769
Energy: 1.0294975418665004
Energy: 1.0991935900844327
Energy: 1.0294975418665004
Energy: 0.9314685822641949
Energy: 1.118813903861208
Energy: 0.9048078443703197
Energy: 1.118813903861208
Energy: 0.9711644059425115
Energy: 1.1207599701617095
Energy: 0.9049035128457438
Energy: 1.1207599701617095
Energy: 1.2469168293042923
Energy: 1.0839512715930504
Energy: 1.072084378702555
Energy: 1.0839512715915673
Energy: 1.0702246863165266
Energy: 1.0116638781718768
Energy: 0.9178090765080992
Energy: 1.0116638781718768
Energy: 0.9059395811306016
Energy: 1.1208739145130058
Energy: 1.260621553936962
Energy: 1.1208739145115563
Energy: 1.0304265723961636
Energy: 1.0197237923472497
Energy: 0.9955669866254002
Energy: 1.0197237923472497
Energy: 1.1305075291472113
Energy: 1.1108733324073796
Energy: 0.9253218271660266
Energy: 1.1108733324073796
Energy: 0.9049699987524898
Energy: 0.9689824606451717
Energy: 0.9103797937127749
Energy: 0.9689824606451717
Energy: 1.0872006685353484
Energy: 1.0954871646250786
Energy: 0.9710571333585086
Energy: 1.0954871646250786
Energy: 0.9326870420264157
Energy: 1.1044122343153822
Energy: 1.2051592657970498
Energy: 1.1044122343153822
Energy: 0.9704291628311373
Energy: 0.9311258183589991
Energy: 1.0864833031130332
Energy: 0.9311258183589991
Energy: 1.072496428497821
Energy: 1.0820197911128586
Energy: 0.8779555741832243
Energy: 1.0820197911128586
Energy: 0.9942345270340381
Energy: 1.1179968590532343
Energy: 0.9999076227894842
Energy: 1.1179968590547174
Energy: 0.93507054881358
Energy: 1.0766476195762127
Energy: 1.1318159522656814
Energy: 1.0766476195762127
Energy: 0.9108707786347237
Energy: 1.1224647773502576
Energy: 0.9059441990770751
Energy: 1.1224647773502576
Energy: 0.9715117480660838
Energy: 0.9701286780970659
Energy: 1.086168601203894
Energy: 0.9701286780970659

minimum gb energy = 0.8779555741832243 eV
minimum distance =  2.36992314150215 Angstroms
sigma value = 17


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

Energy: 0.9527713733850459
Energy: 1.1221624574765259
Energy: 1.2319776120078334
Energy: 1.1221624574765259
Energy: 1.0270622791570057
Energy: 1.0196526133822252
Energy: 0.9077063542484524
Energy: 1.0196526133830652
Energy: 1.1361020744941681
Energy: 1.083219970885495
Energy: 0.9051575352524627
Energy: 1.0832199708846553
Energy: 0.9631587784010059
Energy: 1.0259996055227787
Energy: 1.00578801173364
Energy: 1.0259996059836916
Energy: 1.1064059736599459
Energy: 1.0523003991455306
Energy: 0.9166400825909143
Energy: 1.0523003991455306
Energy: 0.9293274054143328
Energy: 1.0144137142469858
Energy: 1.2667265488071948
Energy: 1.0144137142469858
Energy: 0.9773701684330361
Energy: 1.0184462419919247
Energy: 0.987152203782483
Energy: 1.0184462419919247
Energy: 1.1408001886527743
Energy: 1.0156867011524113
Energy: 0.9138075096594614
Energy: 1.0156867011524113
Energy: 0.9797998765553689
Energy: 1.14812221504394
Energy: 1.103223425606904
Energy: 1.14812221504394
Energy: 1.2032737786163472
Energy: 1.0487504139418165
Energy: 0.9716504113551637
Energy: 1.0487504139409765
Energy: 0.9078749041062792
Energy: 1.0027000722613564
Energy: 1.263812487307337
Energy: 1.0027000717164918
Energy: 0.9856259772954584
Energy: 1.018043737919872
Energy: 0.9965782312145952
Energy: 1.0180437379232317
Energy: 1.237636734363497
Energy: 0.9863223942388725
Energy: 0.9543869170482051
Energy: 0.9863223942103542
Energy: 0.9058428578909672
Energy: 1.1074651236882773
Energy: 1.0269349832831511
Energy: 1.107465123689957
Energy: 1.0129171896781368
Energy: 0.9883611266905303
Energy: 0.9858691571771167
Energy: 0.9883611266896905
Energy: 1.0671804056086889
Energy: 0.9918560760979709
Energy: 1.0676546192770595
Energy: 0.9918560760962911
Energy: 0.9747540340622832
Energy: 1.0581992916938652
Energy: 1.161064698370363
Energy: 1.0581992916938652
Energy: 1.22727123611221
Energy: 1.0745934110789068
Energy: 0.9292200279270684
Energy: 1.0745934110789068
Energy: 0.9443934107818374
Energy: 1.0918857834817852
Energy: 0.9691819717828479
Energy: 1.0918857834817852
Energy: 0.9682017366190518
Energy: 0.9690017471743964
Energy: 0.9630075509591847
Energy: 0.9690017471743964
Energy: 0.9931790065730092
Energy: 1.1411677790661194
Energy: 1.0651694088942036
Energy: 1.1411677790661194
Energy: 0.9532469359747731
Energy: 1.1193943047309387
Energy: 1.182134131352774
Energy: 1.1193943047309387
Energy: 1.1036233842973107
Energy: 1.1467158292738278
Energy: 0.9213608493461585
Energy: 1.1467158292738278
Energy: 0.9558768290364404
Energy: 1.0915183882713206
Energy: 1.1125032149846237
Energy: 1.0915183882704809
Energy: 0.9515609640952601
Energy: 1.0807596482438797
Energy: 1.097740423285016
Energy: 1.0807596482438797
Energy: 1.1591544793980717
Energy: 1.0348262422739105
Energy: 0.9058417146397145
Energy: 1.0348262422839893
Energy: 0.9162163848448096
Energy: 1.1195368049411931
Energy: 1.2196985982653927
Energy: 1.1195368049411931
Energy: 1.0702816329144011
Energy: 0.9923832625960564
Energy: 1.0659475124381363
Energy: 0.9923832625952165
Energy: 1.138376589067919
Energy: 0.9896312964021593
Energy: 0.9634005531534929
Energy: 0.9896312964013193
Energy: 0.9139329688816952
Energy: 1.0568708824926918
Energy: 1.1028287635229888
Energy: 1.0568708824901722

minimum gb energy = 0.9051575352524627 eV
minimum distance =  2.27471392147136 Angstroms
sigma value = 53


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

Energy: 0.8275050030343262
Energy: 0.8272933000422541
Energy: 1.22170445030683
Energy: 0.8272933000422541
Energy: 1.072238714635879
Energy: 1.0571814388090512
Energy: 0.8470682722554306
Energy: 1.0571814388090512
Energy: 0.8459474849063392
Energy: 0.8473675346930691
Energy: 1.0628794037053206
Energy: 0.8473675346930691
Energy: 0.8459216485152258
Energy: 0.8478774908989912
Energy: 0.9029566757807969
Energy: 0.8478774908989912
Energy: 1.0723149898919748
Energy: 1.057149004138386
Energy: 0.8286024391672221
Energy: 1.057149004138386
Energy: 0.8275050030343262
Energy: 0.8272933000422541
Energy: 1.22170445030683
Energy: 0.8272933000422541
Energy: 1.072238714635879
Energy: 1.0571814388090512
Energy: 0.8470682722554306
Energy: 1.0571814388090512
Energy: 0.8459474849063392
Energy: 0.8473675346930691
Energy: 1.0628794037053206
Energy: 0.8473675346930691
Energy: 0.8459216485152258
Energy: 0.8478774908989912
Energy: 0.9029566757769296
Energy: 0.8478774908989912
Energy: 1.0723149898919748
Energy: 1.057149004138386
Energy: 0.9837877912335167
Energy: 1.057149004138386
Energy: 0.8275050030343262
Energy: 0.8272933000422541
Energy: 1.22170445030683
Energy: 0.8272933000422541
Energy: 1.072238714635879
Energy: 1.0571814388090512
Energy: 0.8470682722554306
Energy: 1.0571814388090512
Energy: 0.8459474849082727
Energy: 0.8473675346930691
Energy: 1.0628794037053206
Energy: 0.8473675346930691

minimum gb energy = 0.8272933000422541 eV
minimum distance =  2.34808981799322 Angstroms
sigma value = 9


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

Energy: 0.941686853344259
Energy: 1.154077932820635
Energy: 1.3515548786680966
Energy: 1.154077932820635
Energy: 1.2259656895022404
Energy: 1.0082001171881108
Energy: 0.9585959342356658
Energy: 1.0082001171881108
Energy: 1.084242518423081
Energy: 0.9660925438439586
Energy: 0.9611147508621865
Energy: 0.9660925438425599
Energy: 1.113964465638469
Energy: 1.1168109595912667
Energy: 1.0063753281503842
Energy: 1.1168109595876887
Energy: 1.2372037476828899
Energy: 0.9557323601720342
Energy: 0.9956400364635029
Energy: 0.9557323601727499
Energy: 0.9159224395080111
Energy: 0.8990751602305875
Energy: 1.2892961412161594
Energy: 0.8990751602313031
Energy: 1.3253916606065415
Energy: 1.0622086077151514
Energy: 0.9619123897185451
Energy: 1.0622086077151514
Energy: 1.085393306930309
Energy: 1.151230375451057
Energy: 1.1357812329935402
Energy: 1.1512303754481943
Energy: 0.9596007041729432
Energy: 1.151665701723522
Energy: 0.9238045210415485
Energy: 1.1516657017228058
Energy: 0.9656385598626582
Energy: 0.9887685548482877
Energy: 0.9573023892706891
Energy: 0.9887685548482877
Energy: 1.0072429128640157
Energy: 1.1471504525206802
Energy: 1.305188761907201
Energy: 1.1471504525206802
Energy: 1.1876468997579446
Energy: 1.2046482783761576
Energy: 0.9607135755227596
Energy: 1.2046482783761576
Energy: 0.986954455123501
Energy: 1.1356693918397445
Energy: 1.2248287595631975
Energy: 1.1356693918390288
Energy: 1.2900676584640365
Energy: 1.1688908277927625
Energy: 0.9287957169640803
Energy: 1.1688908277934784
Energy: 0.9650265480987154
Energy: 1.078606900639734
Energy: 1.1072395309674299
Energy: 1.078606900639734
Energy: 0.9887548610090705
Energy: 1.1286575076006973
Energy: 1.1246279430281871
Energy: 1.1286575075999816
Energy: 1.0516330763191484
Energy: 1.0783791992351712
Energy: 0.9650362752120638
Energy: 1.0783791992344554
Energy: 1.0034363646635436
Energy: 0.9549769693621515
Energy: 1.142424229080995
Energy: 0.9549769693621515
Energy: 1.330203938611275
Energy: 1.053596170659755
Energy: 0.9174210125990044
Energy: 1.0535961706590393
Energy: 0.9390229230104217
Energy: 1.015210766818343
Energy: 1.1151889131272503
Energy: 1.0152107668176273
Energy: 1.1329328954293778
Energy: 1.1284903946321008
Energy: 1.1311926359157725
Energy: 1.1284903946313851
Energy: 1.044630002518499
Energy: 1.0479090731274168
Energy: 0.9628406139330156
Energy: 1.0479090731267013
Energy: 0.9234374874617175
Energy: 1.0361926730482622
Energy: 0.9813720243067057
Energy: 1.0361926730482622
Energy: 1.2948033179419758
Energy: 1.1489071801667516
Energy: 1.0051750567569113
Energy: 1.1489071801667516
Energy: 0.9619392513032168
Energy: 1.2110070190341293
Energy: 1.2890454934320823
Energy: 1.2110070190341293
Energy: 1.0884911115216538
Energy: 0.9874173671995023
Energy: 1.0020166923810823
Energy: 0.987417367200218
Energy: 1.031415372277488
Energy: 1.0782792471734435
Energy: 1.14249940324821
Energy: 1.0782792471734435
Energy: 0.9310469894111411
Energy: 1.1574305151141897
Energy: 1.150883176386842
Energy: 1.1574305151141897
Energy: 1.0456299536755758
Energy: 0.9879022400130891
Energy: 1.0012056669165112
Energy: 0.9879022400116577
Energy: 0.9609704788568177
Energy: 1.2104992296670283
Energy: 1.2885090281040097
Energy: 1.2104992296670283
Energy: 1.2329256909199613
Energy: 1.1482782030039171
Energy: 1.0043868091458568
Energy: 1.1482782030039171
Energy: 0.8981888732892005
Energy: 0.9544511112135767
Energy: 0.963936439602545
Energy: 0.9544511112128612
Energy: 0.9534583747667568
Energy: 1.041879661695021
Energy: 0.9616861652692372
Energy: 1.0418796616964525
Energy: 1.1424069385626876
Energy: 1.1500023453996144
Energy: 1.1384823628771312
Energy: 1.1500023453996144
Energy: 1.0203646144126863
Energy: 1.150642202096
Energy: 1.329042702473681
Energy: 1.1506422020945686

minimum gb energy = 0.8981888732892005 eV
minimum distance =  2.31698490048639 Angstroms
sigma value = 73


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

Energy: 0.8947423583924365
Energy: 0.8937622526529936
Energy: 1.305281849171626
Energy: 0.8937622526529936
Energy: 1.0909734601602983
Energy: 1.0665779306688774
Energy: 0.9622503231333904
Energy: 1.0665779306688774
Energy: 0.991588568008119
Energy: 1.0602180210986125
Energy: 0.9937335461786424
Energy: 1.0602180210986125
Energy: 0.9726811761746945
Energy: 1.0625930597104083
Energy: 1.0268791289188273
Energy: 1.0625930597104083
Energy: 0.9958979848871297
Energy: 0.9725414500642809
Energy: 0.9879111256663062
Energy: 0.9725414500642809
Energy: 1.0325197410934057
Energy: 0.9220894030086549
Energy: 1.331957400694332
Energy: 0.9220894030086549
Energy: 1.3501784393700795
Energy: 1.3007618966369947
Energy: 0.99402617330424
Energy: 1.3007618966369947
Energy: 1.0311604625690236
Energy: 1.0608866778362815
Energy: 1.295829681047978
Energy: 1.0608866778362815
Energy: 1.318661042913062
Energy: 0.8941736266907045
Energy: 0.9208520721287963
Energy: 0.8941736266907045
Energy: 0.9921221720268442
Energy: 1.0152544261470986
Energy: 0.9390063317149282
Energy: 1.0152544261470986
Energy: 1.0297310200740295
Energy: 1.0600252991577477
Energy: 1.2510136098698859
Energy: 1.0600252991577477
Energy: 1.1968019771787979
Energy: 1.0747437169711243
Energy: 0.9890794690689445
Energy: 1.0747437169722596
Energy: 1.0268612449332466
Energy: 0.9742803766849145
Energy: 1.0615824634941309
Energy: 0.9742803766860499
Energy: 1.3066640660696944
Energy: 0.974041298900547
Energy: 1.0322376496862953
Energy: 0.974041298900547
Energy: 0.9057019449142476
Energy: 1.1690937154935281
Energy: 1.2217849346161065
Energy: 1.1690937154935281
Energy: 1.2497129559939533
Energy: 1.059930333168206
Energy: 1.0311152946431446
Energy: 1.059930333168206
Energy: 0.9393487571345543
Energy: 0.9637066001749617
Energy: 0.9918342351987107
Energy: 0.9637066001749617
Energy: 0.920337322472762
Energy: 0.8940573071581663
Energy: 0.9920171703501103
Energy: 0.8940573071593018
Energy: 0.9560704720286317
Energy: 1.059835497463987
Energy: 1.0636853092843386
Energy: 1.059835497463987
Energy: 0.9925545162321113
Energy: 1.1685337659471715
Energy: 1.3488898015505641
Energy: 1.1685337659471715
Energy: 1.3044978024252725
Energy: 0.9218008133195577
Energy: 1.068169362446784
Energy: 0.9218008133206932
Energy: 1.0139955302896513
Energy: 0.9731102573291102
Energy: 1.0960554642418514
Energy: 0.9731102573302456

minimum gb energy = 0.8937622526529936 eV
minimum distance =  2.31303362184752 Angstroms
sigma value = 7


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

Energy: 0.9508788390829351
Energy: 0.9663760329673005
Energy: 1.3275325256654351
Energy: 0.9663760329512429
Energy: 1.362788865936133
Energy: 1.0570417839655832
Energy: 0.9981716012379765
Energy: 1.0570417839663862
Energy: 0.9770500035486294
Energy: 1.0749042709800143
Energy: 0.9850330763110524
Energy: 1.0749042709800143
Energy: 1.1508033397392037
Energy: 1.0721580002440754
Energy: 0.9947797311216554
Energy: 1.0721580002440754
Energy: 0.9731528375031846
Energy: 1.0268090869943203
Energy: 0.9362906670794248
Energy: 1.0268090869943203
Energy: 0.9615983375611243
Energy: 0.9681757043964465
Energy: 1.254307383986
Energy: 0.9681757043956435
Energy: 1.1120829360412046
Energy: 1.2602362478732207
Energy: 1.0532711003505644
Energy: 1.2602362478740234
Energy: 0.961808859094598
Energy: 1.0636066913186768
Energy: 1.31650916885347
Energy: 1.0636066913186768
Energy: 1.2438404737695208
Energy: 1.1448864820572517
Energy: 0.9913363469093502
Energy: 1.1448864820572517
Energy: 0.9699821737276819
Energy: 1.0231366001759028
Energy: 1.213009841939353
Energy: 1.0231366001751
Energy: 0.981671386869752
Energy: 1.069253491669966
Energy: 1.0370644723953926
Energy: 1.069253491669966
Energy: 0.929775783173898
Energy: 1.0554199980137668
Energy: 0.959877697413943
Energy: 1.0554199980137668
Energy: 0.9264516351557496
Energy: 1.0458602356949738
Energy: 1.0337448608710715
Energy: 1.0458602356949738
Energy: 1.0917268104546412
Energy: 0.9562147252540099
Energy: 0.9857885251749354
Energy: 0.9562147252524041
Energy: 0.9837071601920697
Energy: 1.2419296185735034
Energy: 1.2380253604781144
Energy: 1.2419296185735034
Energy: 1.2761400109521537
Energy: 1.0327448307765823
Energy: 0.9686402687489817
Energy: 1.0327448307773852
Energy: 0.9922021277872943
Energy: 1.0674077679932423
Energy: 1.1408498336826383
Energy: 1.0674077679932423
Energy: 0.946884740038538
Energy: 1.1792493113444165
Energy: 0.988382752650132
Energy: 1.1792493113444165
Energy: 0.9917811212624488
Energy: 1.0631493462624895
Energy: 1.0179496174383955
Energy: 1.0631493462624895
Energy: 0.9511711431264271
Energy: 1.0113441765544724
Energy: 0.9738990523957657
Energy: 1.0113441765544724
Energy: 1.2901502625667562
Energy: 0.9299719968311969
Energy: 0.967544425344167
Energy: 0.9299719968319997
Energy: 0.9945657423557756
Energy: 1.09049584823064
Energy: 1.1403424153053368
Energy: 1.090495848229837
Energy: 1.2547050059545735
Energy: 1.187694247554335
Energy: 0.9979115334001396
Energy: 1.187694247555138
Energy: 0.9638535778660289
Energy: 1.053805160806044
Energy: 1.3654781007728891
Energy: 1.053805160806044
Energy: 1.0207912599437878
Energy: 1.0418714408577596
Energy: 0.9513094405474419
Energy: 1.0418714408577596
Energy: 1.0449495645255134
Energy: 1.0738457653582392
Energy: 1.0089518211236264
Energy: 1.0738457653574363
Energy: 0.9890094396266742
Energy: 1.0265128638322314
Energy: 0.9842279170773802
Energy: 1.0265128638322314
Energy: 1.0792336480907887
Energy: 1.022736089328104
Energy: 0.9688258278323408
Energy: 1.022736089328104
Energy: 0.9532956362277408
Energy: 0.961163836005019
Energy: 1.1740355789385273
Energy: 0.961163836005019
Energy: 1.2007019068742502
Energy: 1.1264911740124215
Energy: 1.0134016824325494
Energy: 1.1264911740124215
Energy: 0.9536587580450073
Energy: 1.0634589823625624
Energy: 1.172699707898701
Energy: 1.0634589823617593

minimum gb energy = 0.9264516351557496 eV
minimum distance =  2.29904504261741 Angstroms
sigma value = 29


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

Energy: 0.8365436931839081
Energy: 0.8346110709072683
Energy: 1.0347935013763703
Energy: 0.8346110709072683
Energy: 1.0350620836159719
Energy: 0.9575191137696069
Energy: 0.8347979049429295
Energy: 0.9575191137696069
Energy: 0.8072958309239042
Energy: 0.9579396651148265
Energy: 1.0355613894075029
Energy: 0.957939665114578
Energy: 0.8354747815854612
Energy: 1.048649451790759
Energy: 0.8348128087669888
Energy: 1.048649451790759
Energy: 0.8369457611796822
Energy: 0.9397627269589413
Energy: 1.0352775819150373
Energy: 0.9397627269591898
Energy: 1.0518999181482493
Energy: 1.0707933053406606
Energy: 1.0518975408333147
Energy: 1.0707933053406606
Energy: 0.8077078342912283
Energy: 0.939839885753123
Energy: 0.8368588806722406
Energy: 0.9398398857536823
Energy: 0.8346435346648168
Energy: 1.0486526281563984
Energy: 0.8351186157069314
Energy: 1.0486526281563984
Energy: 1.0355145738687126
Energy: 0.958105115509715
Energy: 1.034415546631586
Energy: 0.9581051155102742

minimum gb energy = 0.8072958309239042 eV
minimum distance =  2.33157838374714 Angstroms
sigma value = 5


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

Energy: 0.8617431830779827
Energy: 0.9845125339687183
Energy: 1.2609175320283312
Energy: 0.9845125339694767
Energy: 1.3171788760127323
Energy: 1.0538076918944161
Energy: 0.8534686299952547
Energy: 1.0538076918944161
Energy: 0.8356121293913642
Energy: 0.9343755916868103
Energy: 1.040553105864621
Energy: 0.9343755916868103
Energy: 0.8739240725150695
Energy: 0.9021715691138636
Energy: 0.8479769226388343
Energy: 0.9021715691138636
Energy: 0.8624438768041607
Energy: 1.0612254339491107
Energy: 1.026885194083353
Energy: 1.0612254339491107
Energy: 0.8891877366170561
Energy: 0.937946111792003
Energy: 0.8431102338871482
Energy: 0.937946111792003
Energy: 0.8377529184618786
Energy: 0.9125756302454048
Energy: 0.8374371782439599
Energy: 0.9125756302454048
Energy: 0.8447967441824006
Energy: 0.8972856114195726
Energy: 0.8596751234006708
Energy: 0.8972856114180559
Energy: 0.8433421143114724
Energy: 0.8544494340915479
Energy: 0.8662980449058363
Energy: 0.8544494340915479
Energy: 0.8433021986472912
Energy: 0.9082157023225162
Energy: 0.839207687787576
Energy: 0.908215702321758
Energy: 0.8720281109445298
Energy: 1.0625652774399872
Energy: 0.8362262200793734
Energy: 1.0625652774384704
Energy: 0.8672302710804273
Energy: 0.8797709651506819
Energy: 0.9532860905494712
Energy: 0.8797709651537154
Energy: 0.9731370070005732
Energy: 0.8567753767089495
Energy: 0.8537246945065932
Energy: 0.8567753767074328
Energy: 0.8451340195341573
Energy: 0.959177653612997
Energy: 1.0501463567123657
Energy: 0.9591776536144795
Energy: 1.2907841714083095
Energy: 1.040610453455393
Energy: 0.8365941018040853
Energy: 1.040610453455393
Energy: 0.8459643039081967
Energy: 0.9787613548887298
Energy: 1.1836048332593705
Energy: 0.9787613548894883
Energy: 1.0254485426976458
Energy: 1.0626039279249329
Energy: 0.861838114855931
Energy: 1.0626039279249329
Energy: 0.8426187127442816
Energy: 0.9374315533619736
Energy: 1.0087193613555878
Energy: 0.9374315533619736
Energy: 0.8405896790604699
Energy: 0.9137562575769311
Energy: 0.844073088647221
Energy: 0.9137562575761727
Energy: 0.8603814105491919
Energy: 0.9634562999530288
Energy: 0.8491377602666508
Energy: 0.9634562999522706
Energy: 0.873024288783358
Energy: 1.0660674121178104
Energy: 0.8434477276718912
Energy: 1.0660674121178104
Energy: 0.8550754692329895
Energy: 0.9075941162825532
Energy: 0.8432877724995735
Energy: 0.9075941162817948
Energy: 0.8403601766842805
Energy: 1.0656556861596056
Energy: 0.8413555849163232
Energy: 1.0656556861596056
Energy: 0.9267434325172634
Energy: 0.9446545012743199
Energy: 0.8665565859550578
Energy: 0.9446545012788705
Energy: 0.9188920954486868
Energy: 1.0058900562816226
Energy: 0.8511602635306159
Energy: 1.0058900562816226
Energy: 0.8456192580815818
Energy: 0.8957195303921679
Energy: 0.8467440059644199
Energy: 0.8957195303921679
Energy: 0.8364534082005337
Energy: 1.0124856170559131
Energy: 0.9396781674676123
Energy: 1.0124856170559131
Energy: 1.1251337415984273
Energy: 0.8805155499573389
Energy: 0.84472045384605
Energy: 0.8805155499573389
Energy: 0.8421352479155283
Energy: 1.0510110373000863
Energy: 1.2993423395746726
Energy: 1.0510110373008446
Energy: 1.0896399277149273
Energy: 0.9378198142699673
Energy: 0.8413917764811519
Energy: 0.9378198142699673
Energy: 0.8354795117474207
Energy: 0.8498038023283174
Energy: 1.202469908392245
Energy: 0.8498038023283174
Energy: 1.0234870241433327
Energy: 0.9126706849618523
Energy: 0.8575327302909646
Energy: 0.9126706849648858
Energy: 0.8479247497255459
Energy: 0.957583932175628
Energy: 0.939658882623641
Energy: 0.9575839321771449

minimum gb energy = 0.8354795117474207 eV
minimum distance =  2.29808154989399 Angstroms
sigma value = 1


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

Energy: 0.8234297032948423
Energy: 0.8230964693937053
Energy: 1.2534726405763177
Energy: 0.8230964693937053
Energy: 1.1043264936077084
Energy: 1.0740237120185305
Energy: 0.8111360924560973
Energy: 1.0740237120153846
Energy: 0.7977881352418701
Energy: 0.822951551711265
Energy: 1.1999972028699495
Energy: 0.8229515517102164
Energy: 0.8547703367265965
Energy: 0.8889551855824771
Energy: 0.8026970971424559
Energy: 0.8889551855824771
Energy: 0.8121409810208484
Energy: 1.0741872255474327
Energy: 1.0220545618811916
Energy: 1.0741872255474327
Energy: 0.8094041450022219
Energy: 1.0637536190708028
Energy: 0.8023627119622734
Energy: 1.0637536190708028
Energy: 0.797826471727835
Energy: 0.9095562161476249
Energy: 0.8068530026063365
Energy: 0.9095562161476249
Energy: 0.7986663034258283
Energy: 0.9443711743560009
Energy: 0.8159777802731077
Energy: 0.9443711743560009
Energy: 0.8224884468290555
Energy: 0.8231176510977545
Energy: 0.8691013916519555
Energy: 0.8231176510977545
Energy: 0.8224973552091664
Energy: 0.822623377597439
Energy: 0.8525426267256095
Energy: 0.8226233775963904
Energy: 0.7986044212758873
Energy: 0.9442248733044226
Energy: 0.8316661186267047
Energy: 0.9442248733044226
Energy: 0.7978427143854356
Energy: 0.9096444793906528
Energy: 0.8204018010657653
Energy: 0.9096444793906528
Energy: 0.8091532752572822
Energy: 1.0639489436782592
Energy: 0.8021619778380823
Energy: 1.0639489436782592
Energy: 0.8121095123764998
Energy: 1.0742367130969586
Energy: 0.9968894540901095
Energy: 1.0742367130969586
Energy: 0.8549330817096716
Energy: 0.8889297935158369
Energy: 0.8025072253202697
Energy: 0.8889297935158369
Energy: 0.7980107519524096
Energy: 0.8225452518570163
Energy: 1.068032134847108
Energy: 0.8225452518570163
Energy: 1.104139940446343
Energy: 1.1834996655204681
Energy: 0.8111077539968475
Energy: 1.1834996655204681
Energy: 0.8234297032948423
Energy: 0.8230964693926567
Energy: 0.959957192169086
Energy: 0.8230964693937053
Energy: 1.1043264936035138
Energy: 1.0740237119420037
Energy: 0.8111360924550486
Energy: 1.0740237119598306
Energy: 0.7977881352418701
Energy: 0.822951551711265
Energy: 1.1999972028699495
Energy: 0.8229515517102164
Energy: 0.8547703367255479
Energy: 0.8889551855824771
Energy: 0.8026970971424559
Energy: 0.8889551855824771
Energy: 0.8121409810208484
Energy: 1.0741872255474327
Energy: 1.0220545618822403
Energy: 1.0741872255474327
Energy: 0.8094041450011734
Energy: 1.0637536190697543
Energy: 0.8023627119622734
Energy: 1.0637536190697543
Energy: 0.7978264717267864
Energy: 0.9095562161476249
Energy: 0.8068530026063365
Energy: 0.9095562161476249

minimum gb energy = 0.7977881352418701 eV
minimum distance =  2.30759659832424 Angstroms
sigma value = 17


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

Energy: 0.8730762920015172
Energy: 0.8254717585226538
Energy: 1.1874159697119868
Energy: 0.8254717585213576
Energy: 1.0766151115701053
Energy: 0.8093852378737745
Energy: 0.807549090555555
Energy: 0.8093852378744226
Energy: 0.8053937440376185
Energy: 0.8907636716263827
Energy: 0.9927272049690323
Energy: 0.8907636716270307
Energy: 0.9825130573713909
Energy: 0.9898015953188332
Energy: 0.8103273384721316
Energy: 0.9898015953188332
Energy: 0.814965280886736
Energy: 1.0803432185292388
Energy: 1.0601308682943742
Energy: 1.080343218529887
Energy: 0.8368211653246791
Energy: 1.173236678090141
Energy: 0.8215768001292161
Energy: 1.1732366780894932
Energy: 0.8177373541648056
Energy: 0.8706873485025015
Energy: 0.8644288382853709
Energy: 0.8706873485037979
Energy: 0.8059448677843222
Energy: 1.0048482703575203
Energy: 0.804210609822581
Energy: 1.004848270360702
Energy: 0.8857388674056297
Energy: 0.9960333810620785
Energy: 0.8476616287426486
Energy: 0.9960333810620785
Energy: 0.8849562766245109
Energy: 0.9963684226810069
Energy: 0.8225923687001623
Energy: 0.9963684226797105
Energy: 0.8151390068458978
Energy: 0.9901627859044255
Energy: 0.8108292643954036
Energy: 0.9901627859037774
Energy: 0.8148251309696476
Energy: 0.8657109428877428
Energy: 0.8023914426406444
Energy: 0.8657109428877428
Energy: 0.8210751517526067
Energy: 1.2553661400489262
Energy: 0.8088346815970537
Energy: 1.2553661400495744
Energy: 0.8215227377581744
Energy: 0.9465053341528464
Energy: 0.9327957803659388
Energy: 0.9465053341541426
Energy: 0.8097784162597549
Energy: 1.0689948782486294
Energy: 0.8309248351483968
Energy: 1.068994878247333
Energy: 0.8073358377043365
Energy: 0.8919723634765685
Energy: 1.026847622544611
Energy: 0.8919723634759203
Energy: 0.8929295820695943
Energy: 0.8015525822193498
Energy: 0.8086297701113371
Energy: 0.8015525822187016
Energy: 0.8056841860797742
Energy: 0.8619332102638947
Energy: 0.9292311484022888
Energy: 0.8619332102638947
Energy: 1.2722101652423479
Energy: 1.227084412035408
Energy: 0.8063176674910111
Energy: 1.2270844120360564
Energy: 0.8165642507431973
Energy: 0.8154165244707248
Energy: 0.9799523372118301
Energy: 0.8154165244713729
Energy: 1.2511858725833762
Energy: 0.8103035048233567
Energy: 0.8122538152067614
Energy: 0.8103035048233567
Energy: 0.8208829647852159
Energy: 1.0832996196176943
Energy: 1.0846437705680956
Energy: 1.0832996196176943
Energy: 0.8949268841443121
Energy: 0.9976516148528668
Energy: 0.819272152304626
Energy: 0.9976516148522186
Energy: 0.8176798368241622
Energy: 0.8111969729918579
Energy: 1.076908947916194
Energy: 0.8111969729944506
Energy: 0.843565017739032
Energy: 0.8995025741930243
Energy: 0.8087394804332514
Energy: 0.8995025741943206
Energy: 0.8102771749139768
Energy: 0.8828685558248481
Energy: 0.8597268177558851
Energy: 0.8828685558241999
Energy: 0.93752480609304
Energy: 0.9981876049047556
Energy: 0.809794497882395
Energy: 0.9981876049067
Energy: 0.8830316771970432
Energy: 0.9854700784510801
Energy: 0.8184898979094369
Energy: 0.9854700784530246
Energy: 0.8969099720567048
Energy: 0.882492248820158
Energy: 0.8184039023280641
Energy: 0.8824922488208061
Energy: 0.8097197597443717
Energy: 1.210273577258769
Energy: 0.8211516808268073
Energy: 1.210273577258769
Energy: 0.8141640721771802
Energy: 0.879284945153175
Energy: 0.8056422146360666
Energy: 0.879284945153175
Energy: 0.8169809191742112
Energy: 0.9827325445443803
Energy: 0.8121607127455326
Energy: 0.9827325445443803
Energy: 0.8101512805191883
Energy: 1.0503576847927867
Energy: 0.9880429101228628
Energy: 1.0503576847927867
Energy: 0.8347235210005108
Energy: 0.9500425839171601
Energy: 0.8251058784339106
Energy: 0.9500425839171601
Energy: 0.8015730493823285
Energy: 0.898907032801621
Energy: 0.8130454626704882
Energy: 0.8989070328029174
Energy: 0.8654049961573738
Energy: 0.9348922089779723
Energy: 0.8218380201547416
Energy: 0.9348922089773242
Energy: 0.8175762678229093
Energy: 1.1655920522612808
Energy: 0.9571859622633633
Energy: 1.1655920522619287
Energy: 1.0813031734234013
Energy: 1.0836283450877453
Energy: 0.8160426347597082
Energy: 1.0836283450883935

minimum gb energy = 0.8015525822187016 eV
minimum distance =  2.30014994020702 Angstroms
sigma value = 89


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

Energy: 0.7317805046028094
Energy: 0.7314611772612956
Energy: 0.9457645118267438
Energy: 0.7314611772612956
Energy: 0.7320048688275939
Energy: 0.7542650296649828
Energy: 0.742989495812025
Energy: 0.7542650296666784
Energy: 0.741443271818687
Energy: 0.8946104468892545
Energy: 1.303388967407623
Energy: 0.8946104468892545
Energy: 0.7925638001992251
Energy: 0.7542793396930036
Energy: 0.7441426139905264
Energy: 0.7542793396930036
Energy: 0.7426828339111556
Energy: 1.0317735613050694
Energy: 1.266586385110948
Energy: 1.0317735613050694
Energy: 0.7409023400369813
Energy: 0.7328344156218255
Energy: 0.7343486391717657
Energy: 0.7328344156218255
Energy: 0.7416859375333269
Energy: 0.8747987805464845
Energy: 0.7327494851965777
Energy: 0.8747987805464845
Energy: 0.7595533803546506
Energy: 1.0993411980185435
Energy: 0.744101052064283
Energy: 1.0993411980185435
Energy: 0.7419575183713705
Energy: 0.8156466580692837
Energy: 0.7337375008845683
Energy: 0.8156466580692837
Energy: 0.7538395817558787
Energy: 0.9028948998723384
Energy: 0.7415781988153942
Energy: 0.9028948998723384
Energy: 0.7314989486106481
Energy: 0.7549014122401081
Energy: 0.7410278098039541
Energy: 0.7549014122401081
Energy: 0.7316592684196994
Energy: 0.8755775197065643
Energy: 0.7433775844310466
Energy: 0.8755775197065643
Energy: 0.741558577939593
Energy: 0.9858035477422172
Energy: 0.7525621871678435
Energy: 0.9858035477439131
Energy: 0.7411995846925695
Energy: 0.8152124685597458
Energy: 0.7431962626884691
Energy: 0.8152124685597458
Energy: 0.7592743436659235
Energy: 0.9856382287055184
Energy: 0.7417709354886217
Energy: 0.9856382287055184

minimum gb energy = 0.7314611772612956 eV
minimum distance =  2.31617539706979 Angstroms
sigma value = 13


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

Energy: 0.7904623480647696
Energy: 0.9146956039669998
Energy: 0.8567352182154158
Energy: 0.9146956039677107
Energy: 1.1772186989882223
Energy: 0.9193122333807692
Energy: 0.7166721604016981
Energy: 0.91931223338148
Energy: 0.7257487610696143
Energy: 0.9244452954219049
Energy: 0.8843456367214131
Energy: 0.9244452954233265
Energy: 0.7199314503300259
Energy: 0.8741581239217552
Energy: 0.7176027398309073
Energy: 0.8741581239217552
Energy: 0.7256489005484809
Energy: 1.0397710841254195
Energy: 0.7636818406327645
Energy: 1.0397710841254195
Energy: 0.7141691021033542
Energy: 0.8744110689084634
Energy: 0.7737842418682427
Energy: 0.8744110689084634
Energy: 0.7235118568274551
Energy: 1.0864948067431692
Energy: 1.0001660900674145
Energy: 1.0864948067438802
Energy: 0.7157389467711367
Energy: 0.9356577974431003
Energy: 0.7737161895365794
Energy: 0.9356577974431003
Energy: 0.7270278294274474
Energy: 0.8358272912037822
Energy: 0.9353906160987215
Energy: 0.8358272912030713
Energy: 0.9061024245025827
Energy: 1.0032150649127707
Energy: 0.7176510421342264
Energy: 1.003215064911349
Energy: 0.730828354578771
Energy: 0.7940891452169848
Energy: 0.7138585675980151
Energy: 0.7940891452176957
Energy: 0.9964621265463082
Energy: 0.9357968035380951
Energy: 0.7191090112945486
Energy: 0.9357968035366736
Energy: 0.7490254406290172
Energy: 0.7243300250498385
Energy: 0.7338345032706566
Energy: 0.7243300250498385
Energy: 1.0095740660127268
Energy: 0.8843645476272864
Energy: 0.720546462671831
Energy: 0.8843645476272864
Energy: 0.7307146259881115
Energy: 0.8292540806824001
Energy: 0.7212703938521318
Energy: 0.8292540807023027
Energy: 0.7645180994965041
Energy: 0.83982412839657
Energy: 0.714419905886993
Energy: 0.8398241283972808
Energy: 0.7249668376489186
Energy: 0.942218687953097
Energy: 0.7220870149243906
Energy: 0.9422186879538079
Energy: 0.7449749039003251
Energy: 0.7803210158946996
Energy: 0.7841569237047029
Energy: 0.7803210158939887
Energy: 0.7364423208698739
Energy: 0.9849014584781106
Energy: 0.7826774896500157
Energy: 0.984901458476689
Energy: 0.7231631795389947
Energy: 0.9640682669686967
Energy: 0.7824455939581868
Energy: 0.964068266967986
Energy: 0.7396570619590527
Energy: 0.7873882401546136
Energy: 0.7822837619994797
Energy: 0.7873882401539029
Energy: 0.7228440011863156
Energy: 1.2246366364593855
Energy: 0.7256451364817357
Energy: 1.2246366364593855
Energy: 0.7772390250954084
Energy: 0.8838849708941466
Energy: 0.7223945048273065
Energy: 0.8838849708941466
Energy: 0.7312603892989015
Energy: 0.7743959335391369
Energy: 0.7143301053397808
Energy: 0.7743959335391369
Energy: 1.0365605830541147
Energy: 0.9327211829343743
Energy: 0.7186560465168934
Energy: 0.9327211829343743
Energy: 0.7991973378492095
Energy: 0.849663506547012
Energy: 0.7155767906269392
Energy: 0.849663506547012
Energy: 0.9473267904125152
Energy: 1.092821268530055
Energy: 0.7184037605919451
Energy: 1.0928212685307654
Energy: 0.7314026670363629
Energy: 0.7950777661510838
Energy: 0.7138196873488107
Energy: 0.7950777661503733
Energy: 0.776044996778379
Energy: 0.9390684030223689
Energy: 0.7155115198302249
Energy: 0.9390684030237905
Energy: 0.7262351719904747
Energy: 0.9280112229044047
Energy: 0.8594895956135593
Energy: 0.9280112229044047
Energy: 0.7161009053984686
Energy: 0.9291716126977757
Energy: 0.7739163595747632
Energy: 0.929171612696354
Energy: 0.7254402211436451
Energy: 1.088092812398634
Energy: 1.0191137771786707
Energy: 1.088092812398634
Energy: 0.7171391388538066
Energy: 0.8276825007441325
Energy: 0.7737244505101912
Energy: 0.8276825007441325
Energy: 0.7249907266006694
Energy: 0.9244041326319047
Energy: 0.995644698108255
Energy: 0.9244041326319047
Energy: 0.767145628570252
Energy: 0.9187646054057544
Energy: 0.7153894656173859
Energy: 0.9187646054064651

minimum gb energy = 0.7138196873488107 eV
minimum distance =  2.29410751287204 Angstroms
sigma value = 37


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

Energy: 0.6824125005211545
Energy: 0.6817762337171722
Energy: 0.8941964534577668
Energy: 0.6817762337171722
Energy: 1.0482469151641791
Energy: 0.833337517845981
Energy: 0.6544573770649734
Energy: 0.833337517845981
Energy: 0.6624168747308802
Energy: 1.0117550479053299
Energy: 1.2042418870153606
Energy: 1.0117550479053299
Energy: 0.6496841151129147
Energy: 0.8331827277806951
Energy: 0.6543906056317498
Energy: 0.8331827277806951
Energy: 0.653262661768242
Energy: 0.8335180031570291
Energy: 0.6489351069433319
Energy: 0.8335180031570291
Energy: 0.6504416286432633
Energy: 0.8332204578405226
Energy: 0.6506073189147918
Energy: 0.8332204578405226
Energy: 0.6722052257343226
Energy: 1.0066668109172985
Energy: 0.84594886482467
Energy: 1.0066668109172985
Energy: 0.6532693404613907
Energy: 0.6825225073163257
Energy: 0.6844183486072337
Energy: 0.6825225073163257
Energy: 0.6534466913818768
Energy: 0.8337767466380487
Energy: 1.0505996330721599
Energy: 0.8337767466380487
Energy: 0.920326126309488
Energy: 1.0114345339876485
Energy: 0.6507131614561782
Energy: 1.0114345340230853
Energy: 0.6721662186769517
Energy: 1.0067176505885482
Energy: 0.6485330990429125
Energy: 1.0067176505885482
Energy: 0.8531995500624298
Energy: 0.6818604856517821
Energy: 0.6543955978835096
Energy: 0.6818604856517821
Energy: 0.6537611187585449
Energy: 0.9340271093708575
Energy: 0.6503338063781293
Energy: 0.9340271093708575
Energy: 0.8454729987475385
Energy: 1.149381405087583
Energy: 0.6536387545570655
Energy: 1.149381405087583
Energy: 0.6809881147589943
Energy: 0.7154688515916617
Energy: 0.653124461319285
Energy: 0.7154688515916617
Energy: 0.681743493270039
Energy: 0.9335700974965149
Energy: 0.6543956506494054
Energy: 0.9335700974965149
Energy: 0.6540065125993693
Energy: 1.012435019589495
Energy: 0.6601090801481738
Energy: 1.0124350195907181
Energy: 0.6483429343896552
Energy: 1.10835392438869
Energy: 0.6538237658763391
Energy: 1.10835392438869
Energy: 0.6548582306872971
Energy: 0.6826413630256435
Energy: 0.6532041345433374
Energy: 0.6826413630256435
Energy: 0.6537122532554217
Energy: 0.93363243296224
Energy: 0.6482752326464185
Energy: 0.93363243296224

minimum gb energy = 0.6482752326464185 eV
minimum distance =  2.29185646259602 Angstroms
sigma value = 25


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

Energy: 0.6379925782998849
Energy: 0.8345546917766185
Energy: 1.1288339834071466
Energy: 0.8345546917756637
Energy: 1.0236993455993335
Energy: 0.84320026530682
Energy: 0.6040581537058853
Energy: 0.84320026530682
Energy: 0.6008610162370033
Energy: 0.6010257937332614
Energy: 0.826871184404791
Energy: 0.6010257937332614
Energy: 0.7096770487912191
Energy: 0.8432668892363403
Energy: 0.6058054045900623
Energy: 0.8432668892353854
Energy: 0.6054071939601503
Energy: 0.8441262213446936
Energy: 0.585682505740631
Energy: 0.8441262213456484
Energy: 0.5849388834086409
Energy: 0.8431078555067374
Energy: 0.6063000398906816
Energy: 0.8431078555067374
Energy: 0.6058650921155176
Energy: 0.7169763348083834
Energy: 0.7590174512254012
Energy: 0.7169763348074285
Energy: 0.5863553276065719
Energy: 0.7477552391198637
Energy: 0.602138901727232
Energy: 0.7477552391208188
Energy: 0.6058384187216876
Energy: 0.8440442272363801
Energy: 0.8665890913347695
Energy: 0.8440442272363801
Energy: 0.5889058596871776
Energy: 0.8343257299887067
Energy: 0.6392632990544078
Energy: 0.8343257299858419
Energy: 0.6070295879904463
Energy: 0.7177550345808222
Energy: 1.0222162197251208
Energy: 0.717755034582732
Energy: 0.8083731557982754
Energy: 0.8807966981021212
Energy: 0.602199515209179
Energy: 0.8807966981021212
Energy: 0.6050929523093683
Energy: 0.8436403726211498
Energy: 0.7102877921728282
Energy: 0.8436403726650765
Energy: 0.7802939100141398
Energy: 0.8678973552504391
Energy: 0.6057617255456779
Energy: 0.8678973552504391
Energy: 0.6067333776221796
Energy: 0.7182773315935794
Energy: 0.5853498236432668
Energy: 0.7182773315907146
Energy: 0.7588030497976324
Energy: 1.1530328255474696
Energy: 0.6047442264790641
Energy: 1.1530328255484243
Energy: 0.6053683404640886
Energy: 0.7487198097252371
Energy: 0.5864593889005703
Energy: 0.7487198097252371
Energy: 0.7307351008008447
Energy: 0.8448158239429077
Energy: 0.6043410371624222
Energy: 0.8448158239409979
Energy: 0.6423505637584546
Energy: 0.6013257638980827
Energy: 0.588866224640181
Energy: 0.601325763892353
Energy: 0.8390397993392573
Energy: 0.8193945338461112
Energy: 0.6074262643083778
Energy: 0.8193945338461112
Energy: 0.6060552080634896
Energy: 0.8892616037200174
Energy: 0.5951196823407336
Energy: 0.8892616037190624
Energy: 0.6005862120892266
Energy: 0.8439456760245697
Energy: 0.6046101473058171
Energy: 0.8439456760245697
Energy: 0.6070150634806973
Energy: 0.7470446626168518
Energy: 0.7798174988314325
Energy: 0.7470446626178067
Energy: 0.5847325017159127
Energy: 0.8190599567225064
Energy: 0.6078159549237641
Energy: 0.8190599567225064
Energy: 0.6044999694803159
Energy: 0.8603858408797378
Energy: 0.7585788729198819
Energy: 0.8603858409246197
Energy: 0.5898855749373924
Energy: 0.7471756899290094
Energy: 0.6069119133092378
Energy: 0.747175689935694

minimum gb energy = 0.5847325017159127 eV
minimum distance =  2.31012035537528 Angstroms
sigma value = 41


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

Energy: 0.7443737733409577
Energy: 0.7448380674488259
Energy: 1.082875119039249
Energy: 0.744838067448043
Energy: 1.0004444795114364
Energy: 0.7379372653012439
Energy: 0.5464035819826741
Energy: 0.737937265300461
Energy: 0.5637862640131293
Energy: 0.7328812439931276
Energy: 0.5372017792923323
Energy: 0.7328812439915617
Energy: 0.9942252875248542
Energy: 0.7389083734562014
Energy: 0.5462302006038606
Energy: 0.7389083734546357
Energy: 0.5428491695313307
Energy: 0.7559779367489113
Energy: 0.5357576510033649
Energy: 0.7559779367481284
Energy: 0.6380246633621266
Energy: 0.7405846266133357
Energy: 0.5463523270649938
Energy: 0.7405846266133357
Energy: 0.5456037057768954
Energy: 0.7384925502896935
Energy: 0.6847167884467811
Energy: 0.7384925502896935
Energy: 0.5344402629844083
Energy: 0.6556637133168967
Energy: 0.5435298081964375
Energy: 0.655663713316114
Energy: 0.5484128049607877
Energy: 0.654831229007308
Energy: 0.8064643623102106
Energy: 0.6548312290886926
Energy: 0.5358057922880428
Energy: 0.7323512365747106
Energy: 0.5646805467201169
Energy: 0.7323512365762764
Energy: 0.5457123920414286
Energy: 0.738826708535213
Energy: 0.8703577758712004
Energy: 0.738826708535996
Energy: 0.5370012381966094
Energy: 0.7462051684031844
Energy: 0.7449602120147654
Energy: 0.7462051684031844
Energy: 0.5480805196462073
Energy: 0.655644832487576
Energy: 1.001219580023696
Energy: 0.6556448324899247
Energy: 0.7220732571060541
Energy: 0.8299091089259862
Energy: 0.5645536420588296
Energy: 0.829909108927552
Energy: 0.5456314715419986
Energy: 0.7390661732697097
Energy: 0.7332420239054078
Energy: 0.7390661732712754
Energy: 0.6873168068643846
Energy: 0.7656719781437537
Energy: 0.5436205504875846
Energy: 0.7656719781437537
Energy: 0.5479580191169301
Energy: 0.6548420547499445
Energy: 0.6363008453321615
Energy: 0.6548420547303723
Energy: 0.6822761600153525
Energy: 0.79068242074645
Energy: 0.5464593523565404
Energy: 0.7906824207660222
Energy: 0.5457945603859516
Energy: 0.6548252032358935
Energy: 0.5341966763526
Energy: 0.6548252032358935
Energy: 0.6808872533010584
Energy: 0.6536179624966744
Energy: 0.5502817744542642
Energy: 0.6536179629466211
Energy: 0.566578376226111
Energy: 0.5648853621495584
Energy: 0.535910165927583
Energy: 0.5648853621605189
Energy: 0.8722829743608808
Energy: 0.6856276779159219
Energy: 0.5464545982531283
Energy: 0.6856276779151391
Energy: 0.7472459524244562
Energy: 0.7476759404695759
Energy: 0.5371060949035074
Energy: 0.7476759404703588
Energy: 0.7442261570372964
Energy: 0.6540876403387472
Energy: 0.5497582529618523
Energy: 0.6540876403363985
Energy: 0.5666290954694218
Energy: 0.9964433790952986
Energy: 0.5402501480797248
Energy: 0.9964433790952986
Energy: 0.7333406143632387
Energy: 0.578433091553082
Energy: 0.5463035165052772
Energy: 0.578433091553082
Energy: 0.5458103038806725
Energy: 0.7675023214449784
Energy: 0.7022814334160052
Energy: 0.7675023214449784
Energy: 0.5432257641016983
Energy: 0.6544897615631531
Energy: 0.5496981637449448
Energy: 0.6544897615694162
Energy: 0.5483714173716155
Energy: 0.7914357316590653
Energy: 0.6821665561938788
Energy: 0.7914357316574997
Energy: 0.5344076785156501
Energy: 0.6828170681420788
Energy: 0.5493939332484754
Energy: 0.6828170681874863
Energy: 0.5516322685032367
Energy: 0.6540265002608024
Energy: 0.6808751880817907
Energy: 0.6540265002623682
Energy: 0.5371017713801158
Energy: 0.5651852670340706
Energy: 0.5698573250970465
Energy: 0.5651852670348536

minimum gb energy = 0.5341966763526 eV
minimum distance =  2.32328582352901 Angstroms
sigma value = 15


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

Energy: 0.6800634745449071
Energy: 0.5151792826698045
Energy: 0.7673245916040489
Energy: 0.5151792826698045
Energy: 0.9795298065524938
Energy: 0.5917213444802945
Energy: 0.5139943989918269
Energy: 0.5917213444889161
Energy: 0.5318312759669337
Energy: 0.6657606261106882
Energy: 0.4993480485080192
Energy: 0.6657606261106882
Energy: 0.9773721568508433
Energy: 0.6857319734171877
Energy: 0.514065432275931
Energy: 0.6857319735059983
Energy: 0.511762892562882
Energy: 0.749371505806423
Energy: 0.4957576600295663
Energy: 0.7493715058050965
Energy: 0.6606786409789446
Energy: 0.5895456645183572
Energy: 0.5141032182643672
Energy: 0.5895459400171267
Energy: 0.5134707001584462
Energy: 0.6746347257434298
Energy: 0.624170831838053
Energy: 0.6746347257440929
Energy: 0.5780656590327157
Energy: 0.6729426620007861
Energy: 0.5141333100874396
Energy: 0.6729426619981332
Energy: 0.515245474613637
Energy: 0.6156822695174026
Energy: 0.8405474395698941
Energy: 0.6156822695174026
Energy: 0.4944995853576639
Energy: 0.5135072069661377
Energy: 0.5122219098621167
Energy: 0.5135072069800652
Energy: 0.5136652479538368
Energy: 0.6842949801106964
Energy: 0.8261843780021775
Energy: 0.6842949866278758
Energy: 0.4953952762080321
Energy: 0.6674271718487389
Energy: 0.5325473312625376
Energy: 0.6674271718494024
Energy: 0.5153592312061785
Energy: 0.6147506435387204
Energy: 0.8752317733936769
Energy: 0.6147506435426996
Energy: 0.4963416961655539
Energy: 0.6075830698215605
Energy: 0.6811339139874625
Energy: 0.6075830665659553
Energy: 0.5136314298750971
Energy: 0.5913293286226211
Energy: 0.9783974397722112
Energy: 0.5913293290721005
Energy: 0.651844640437281
Energy: 0.669202444525659
Energy: 0.5322836503062229
Energy: 0.6692024445123947
Energy: 0.5153748809315502
Energy: 0.5223573245834179
Energy: 0.7935986264375305
Energy: 0.5223573245840811
Energy: 0.6272823199471891
Energy: 0.7288576143127953
Energy: 0.5121551442335234
Energy: 0.7288576141430724
Energy: 0.5136259178494653
Energy: 0.5902176975683677
Energy: 0.6897330258177601
Energy: 0.5902176974868526
Energy: 0.6239951375562538
Energy: 0.6840104969844513
Energy: 0.5138817211470863
Energy: 0.6840104969864409
Energy: 0.5152453122171377
Energy: 0.6083818749997122
Energy: 0.5800935643001143
Energy: 0.608381874931401
Energy: 0.6232863287547046
Energy: 0.7074509777534574
Energy: 0.5171877669882119
Energy: 0.707450977746162
Energy: 0.513500045032987
Energy: 0.5137656869786188
Energy: 0.4943088879618475
Energy: 0.5137656869467845
Energy: 0.8229097177000846
Energy: 0.5913007054498598
Energy: 0.5140583219431912
Energy: 0.5913007075254836
Energy: 0.5334938476990094
Energy: 0.533483285801937
Energy: 0.4957397418029886
Energy: 0.5334832858026003
Energy: 0.8002280066817933
Energy: 0.6145461754121079
Energy: 0.5172369496891052
Energy: 0.6145461754048124
Energy: 0.6821122465773338
Energy: 0.6073080756178191
Energy: 0.4960424643968681
Energy: 0.6073080754262703
Energy: 0.8953409404523767
Energy: 0.5913808188383227
Energy: 0.5142007377409418
Energy: 0.5913808188389861
Energy: 0.53355210472494
Energy: 0.8554159499509927
Energy: 0.49871983030737604
Energy: 0.8554159499509927
Energy: 0.6666431587283324
Energy: 0.5223505550518945
Energy: 0.5170578080830317
Energy: 0.522350555049905
Energy: 0.5134815445792495
Energy: 0.7174047118325773
Energy: 0.634760220074805
Energy: 0.7174047118358935
Energy: 0.6874119773299683
Energy: 0.5918614834273753
Energy: 0.514173979135584
Energy: 0.5918614835864868
Energy: 0.5152954246259538
Energy: 0.8243729398741351
Energy: 0.6238088226750768
Energy: 0.8243729398747983
Energy: 0.4996069853109649
Energy: 0.6080981455684695
Energy: 0.5170851015908897
Energy: 0.6080989706011215
Energy: 0.5024176980545968
Energy: 0.8508184941025252
Energy: 0.6221925883779538
Energy: 0.8508184940998723
Energy: 0.4943715461762196
Energy: 0.5128843578838831
Energy: 0.5157063611405713
Energy: 0.5128843578838831
Energy: 0.5154506257307326
Energy: 0.8220098427646271
Energy: 0.8194372656458796
Energy: 0.8220098427652903

minimum gb energy = 0.4943088879618475 eV
minimum distance =  2.3174746338147 Angstroms
sigma value = 85


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

Energy: 0.6443437094687087
Energy: 0.6429307163583332
Energy: 0.6234811698794462
Energy: 0.642930716379616
Energy: 0.9518799136423334
Energy: 0.6286170455922762
Energy: 0.47022977893093276
Energy: 0.628617046094799
Energy: 0.6147908512155348
Energy: 0.6154794862161272
Energy: 0.44442064852760216
Energy: 0.615479486215552
Energy: 0.9391942208304166
Energy: 0.6286620092888525
Energy: 0.47015995548692496
Energy: 0.6286620092882773
Energy: 0.4951297114102912
Energy: 0.5946305268294942
Energy: 0.44310396767121446
Energy: 0.5946305268300695
Energy: 0.6874309970514605
Energy: 0.6288295212823862
Energy: 0.4698838711259529
Energy: 0.628829521262254
Energy: 0.46783199142822846
Energy: 0.6289494087243449
Energy: 0.5135441886259186
Energy: 0.6289494087243449
Energy: 0.5839564270445051
Energy: 0.6288972920869462
Energy: 0.4700790770850768
Energy: 0.6288972920857958
Energy: 0.46979609025683294
Energy: 0.6043365080953601
Energy: 0.7650134331317321
Energy: 0.6043365080953601
Energy: 0.5143490853415992
Energy: 0.6290158268202735
Energy: 0.46835636015120946
Energy: 0.6290158268208487
Energy: 0.4705917284816434
Energy: 0.6288577428390328
Energy: 0.691419804484562
Energy: 0.6288577428390328
Energy: 0.44312813650884497
Energy: 0.5689941372148587
Energy: 0.4955573354434998
Energy: 0.5689941372165843
Energy: 0.4696972387141663
Energy: 0.604008283408349
Energy: 0.7905562514238302
Energy: 0.6040082834071986
Energy: 0.4450392281321554
Energy: 0.6158044426600255
Energy: 0.6152993854178733
Energy: 0.6158044426600255
Energy: 0.4710599917472981
Energy: 0.6294031746266611
Energy: 0.9528300534228953
Energy: 0.6294031746260859
Energy: 0.4443940311368743
Energy: 0.6419948363573984
Energy: 0.6448550765133602
Energy: 0.6419948363573984
Energy: 0.4697304007036722
Energy: 0.6043976602374193
Energy: 0.9522125883602625
Energy: 0.6043976602374193
Energy: 0.573652474676495
Energy: 0.6156454492805623
Energy: 0.6152861520864638
Energy: 0.615645449279987
Energy: 0.47101804866915903
Energy: 0.6296615140823741
Energy: 0.78958417182448
Energy: 0.6296615140806484
Energy: 0.5560557746612143
Energy: 0.7796311402717723
Energy: 0.4955600724998253
Energy: 0.7796311401975966
Energy: 0.46966350268776835
Energy: 0.6039567233332801
Energy: 0.6900502763287317
Energy: 0.6039567233327049
Energy: 0.5546142834079695
Energy: 0.6289661343108298
Energy: 0.468373475021521
Energy: 0.6289661343102546
Energy: 0.4703292000045983
Energy: 0.6293464886314927
Energy: 0.5839718263793712
Energy: 0.6293464886228646
Energy: 0.5576836422773069
Energy: 0.6557133138388992
Energy: 0.4701268390808082
Energy: 0.6557133138388992
Energy: 0.4696769291975524
Energy: 0.555418227709741
Energy: 0.5141815401980355
Energy: 0.5554182277085906
Energy: 0.6917762028823798
Energy: 0.6284878744540616
Energy: 0.47153828020623917
Energy: 0.6284878744540616
Energy: 0.49684021823548685
Energy: 0.5682959166246949
Energy: 0.4431992727155008
Energy: 0.5682959166252701
Energy: 0.7008834413381458
Energy: 0.6557051526160567
Energy: 0.47003631676675994
Energy: 0.655705152614331
Energy: 0.6166620768149161
Energy: 0.6159465319135199
Energy: 0.4458478508786926
Energy: 0.6159465319135199
Energy: 0.8639461834013885
Energy: 0.5548198607738754
Energy: 0.4716329756993675
Energy: 0.5548198605628786
Energy: 0.6466436192032453
Energy: 0.6422047536146214
Energy: 0.4442838024725074
Energy: 0.6422047536174974
Energy: 0.8035902287281551
Energy: 0.6558761476222738
Energy: 0.47010160578023813
Energy: 0.6558761476222738
Energy: 0.616658264607839
Energy: 0.6159124911610109
Energy: 0.4467465257727935
Energy: 0.6159124911615861
Energy: 0.7877199433635
Energy: 0.629929162072249
Energy: 0.4717312229034646
Energy: 0.629929162072249
Energy: 0.49670742522199546
Energy: 0.7797010211219453
Energy: 0.5565139873442612
Energy: 0.7797010211219453
Energy: 0.5944549580119061
Energy: 0.6553330920540633
Energy: 0.47034209680177524
Energy: 0.6553330920534881
Energy: 0.4698623521789388
Energy: 0.6294480405772543
Energy: 0.5546626226718248
Energy: 0.6294480405772543
Energy: 0.5843273569244989
Energy: 0.6293082200212708
Energy: 0.4717919963977144
Energy: 0.629308220021846
Energy: 0.4711626121036529
Energy: 0.7322717687136339
Energy: 0.5577155055318965
Energy: 0.7322717687136339
Energy: 0.45026318485729794
Energy: 0.6583253827151655
Energy: 0.47086545007077957
Energy: 0.658325382702511
Energy: 0.46956012672444886
Energy: 0.6288129000498495
Energy: 0.6922262204675306
Energy: 0.6288129000504247
Energy: 0.4427371027095911
Energy: 0.5686870793956291
Energy: 0.4985277170072888
Energy: 0.5686870793956291
Energy: 0.470709602831126
Energy: 0.5681622201027982
Energy: 0.7007007763569103
Energy: 0.5681621751121871

minimum gb energy = 0.4427371027095911 eV
minimum distance =  2.32675229254072 Angstroms
sigma value = 113


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

Energy: 0.015439724083785248
Energy: 0.016887303415272018
Energy: 0.7352025597583693
Energy: 0.016887303415272018
Energy: 0.7354531921889302
Energy: 1.1580190997007047
Energy: 0.25824358557871263
Energy: 1.158019099701589
Energy: 0.015439724083785248
Energy: 0.016887303415272018
Energy: 0.7351974333416116
Energy: 0.016887303415272018
Energy: 0.7354531921889302
Energy: 1.1580190997011468
Energy: 0.25824358557871263
Energy: 1.158019099701589
Energy: 0.015439724083785248
Energy: 0.016887303415272018
Energy: 0.7352337595041808
Energy: 0.016887303415272018
Energy: 0.7354531921889302
Energy: 1.158019099701589
Energy: 0.25824358557871263
Energy: 1.1580190997007047

minimum gb energy = 0.015439724083785248 eV
minimum distance =  2.52026770728851 Angstroms
sigma value = 1