Model name: model_name=EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977830181
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 7.7715611723761e-16 eV

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

Energy: 0.018160093544318908
Energy: 0.8918652772825866
Energy: 0.018160093545935976
Energy: 0.8918652772828807
Energy: 0.018160093544318908
Energy: 0.891865277281925
Energy: 0.8918652772822558
Energy: -3.695473346602843
Energy: 0.8918652772822558
Energy: -3.6954733465941327
Energy: 0.8918652772828807
Energy: -3.695473346583475
Energy: 0.018160093545605216
Energy: 0.8918652772822558
Energy: 0.01816009354622999
Energy: 0.8918652772825866
Energy: 0.018160093545605216
Energy: 0.891865277281925
Energy: 0.891865277281925
Energy: -3.6954733465802407
Energy: 0.8918652772825866
Energy: 6.800982370682575
Energy: 0.8918652772822558
Energy: 3.1949515375410895
Energy: 0.01816009354464967
Energy: 0.8918652772825866
Energy: 0.01816009354622999
Energy: 0.8918652772828807
Energy: 0.018160093544318908
Energy: 0.8918652772822558
Energy: 0.8918652772822558
Energy: -3.6954733465938028
Energy: 0.8918652772825866
Energy: 3.19495153754142
Energy: 0.8918652772825866
Energy: -3.6954733465866725

minimum gb energy = -3.695473346602843 eV
minimum distance =  2.01081492917624 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.566230728572827
Energy: 1.0090574036744144
Energy: 1.5662307285736232
Energy: 1.009057377258992
Energy: 1.5662307285720307
Energy: 1.0090574065067528
Energy: 1.5213279284254952
Energy: 1.0818993043153604
Energy: 1.5213279324627589
Energy: 1.0818994787603635
Energy: 1.5213278357765947
Energy: 1.0818989288029222
Energy: 1.1427736000259887
Energy: 2.173692208131913
Energy: 1.1427736000251925
Energy: 2.173692208127932
Energy: 1.1427736000243964
Energy: 2.173692208155003
Energy: 2.3489879317419624
Energy: 1.2903606449338523
Energy: 2.348987931742758
Energy: 1.2903603361022062
Energy: 2.348987931741166
Energy: 1.2903606140092425
Energy: 0.6896016585828056
Energy: 1.6321992656170625
Energy: 0.689601658192817
Energy: 1.6321992656178588
Energy: 0.68960166219266
Energy: 1.6321992656170625
Energy: 1.177472452287224
Energy: 1.1550321466353493
Energy: 1.1774724523126296
Energy: 1.1537583961797764
Energy: 1.1774724522919287
Energy: 1.1544467875560307
Energy: 2.515038241539683
Energy: 1.2908838106236074
Energy: 2.515038241536498
Energy: 1.2908838101954738
Energy: 2.515038241536498
Energy: 1.2908838106140528
Energy: 2.5849475356434235
Energy: 1.4780231982077632
Energy: 2.584947535641831
Energy: 1.4780231981114964
Energy: 2.584947535641035
Energy: 1.478023198165637
Energy: 1.2616676872629844
Energy: 1.7994483694390377
Energy: 1.2616676872613921
Energy: 1.7994483694390377
Energy: 1.2616676872629844
Energy: 1.7994483694390377
Energy: 1.155419161489029
Energy: 1.7411013485998885
Energy: 1.1554191614922136
Energy: 1.741101348600685
Energy: 1.1554191614874365
Energy: 1.7411013485998885
Energy: 2.122800389576001
Energy: 0.7148501178126249
Energy: 2.1228003895783902
Energy: 0.7148501178142171
Energy: 2.122800389579186
Energy: 0.7148501178102362
Energy: 1.3569727520244468
Energy: 1.800332002059006
Energy: 1.3569727520968276
Energy: 1.8003320021855278
Energy: 1.3569727521254906
Energy: 1.8003320020605982
Energy: 1.6211159477655783
Energy: 1.4710084439050974
Energy: 1.6211159477671708
Energy: 1.471008443904301
Energy: 1.6211159477631898
Energy: 1.471008443903505
Energy: 1.750333417476091
Energy: 1.3444961221216942
Energy: 1.7503334174649443
Energy: 1.3444961221201017
Energy: 1.7503334174633518
Energy: 1.3444961221185097
Energy: 1.8482661292626945
Energy: 2.236637536555159
Energy: 1.848266129261898
Energy: 2.236637536547197
Energy: 1.8482661292603058
Energy: 2.2366375365511777
Energy: 1.2612580256776995
Energy: 2.185707460601659
Energy: 1.2612580256888462
Energy: 2.185707460601659
Energy: 1.2612580256776995
Energy: 2.185707460601659
Energy: 1.3638255704153666
Energy: 2.217101197036653
Energy: 1.3638255750407255
Energy: 2.2171011970374495
Energy: 1.3214572114413843
Energy: 2.2171011970358574
Energy: 2.6975586040710895
Energy: 2.2784927626942575
Energy: 2.697558604084625
Energy: 2.2784927626942575
Energy: 2.6975586040838286
Energy: 2.27849276269585
Energy: 2.387482149075587
Energy: 2.435035744253328
Energy: 2.387482149071606
Energy: 2.4350357442565125
Energy: 2.3874821490660327
Energy: 2.435035744254124
Energy: 1.3211567366591062
Energy: 2.313801543669618
Energy: 1.3211567355911253
Energy: 2.3138015409884836
Energy: 1.3211567366185004
Energy: 2.3138015440500523
Energy: 1.901312053544305
Energy: 2.1540257452749114
Energy: 1.901312053544305
Energy: 2.1540257452757077
Energy: 1.9013120535427124
Energy: 2.1540257452773
Energy: 2.0129515958209465
Energy: 1.419623876570453
Energy: 2.0129515958209465
Energy: 1.4196239051362405
Energy: 2.012951595821743
Energy: 1.4196238821683944
Energy: 1.2369091712905018
Energy: 1.1609964646799606
Energy: 1.236909007593199
Energy: 1.1609964646807565
Energy: 1.2369089435832636
Energy: 1.1609964646815527

minimum gb energy = 0.689601658192817 eV
minimum distance =  2.14103441507083 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.369349935981648
Energy: 1.35111347412213
Energy: 1.3867232910692973
Energy: 1.35111347412213
Energy: 1.3693499359830066
Energy: 1.3511134741239414
Energy: 0.6876304936949312
Energy: 1.6961343023749742
Energy: 0.6876304936931198
Energy: 1.6961343023740683
Energy: 0.6876304936881382
Energy: 1.6961343023749742
Energy: 2.0345336562782452
Energy: 2.5339570181127002
Energy: 2.0345336562777923
Energy: 2.5339570181127002
Energy: 2.0345336562768863
Energy: 2.5339570181127002
Energy: 1.109399075881479
Energy: 1.4233506485430012
Energy: 1.1093990758104193
Energy: 1.4233506485448126
Energy: 1.1093990758864605
Energy: 1.4233506485411898
Energy: 1.696484943801795
Energy: 1.661886396211622
Energy: 1.696484943801795
Energy: 1.6618863961880728
Energy: 1.6964849438004364
Energy: 1.6618863962016586
Energy: 2.0651031804166324
Energy: 1.359314561340133
Energy: 2.065103180413462
Energy: 1.3593145613247353
Energy: 2.0651031804139155
Energy: 1.3593145612894113
Energy: 1.0068534614032263
Energy: 1.569754024252214
Energy: 1.0894770587745863
Energy: 1.569754024252667
Energy: 1.0068534614045852
Energy: 1.5697540242513084
Energy: 1.4684136901601912
Energy: 1.0737754363770242
Energy: 1.087893566682859
Energy: 1.073775436378383
Energy: 1.1155043417975936
Energy: 1.0737754363761185
Energy: 1.0602282054014405
Energy: 1.3633496622427677
Energy: 1.0602281806599052
Energy: 1.3633496622427677
Energy: 1.060228203559535
Energy: 1.3633496622423147
Energy: 3.702245649543227
Energy: 1.6239676249670163
Energy: 3.702245649545944
Energy: 1.6239676249692807
Energy: 3.702245649545492
Energy: 1.6239676249647519
Energy: 1.6335232060419624
Energy: 1.6925130714752121
Energy: 1.6335232060415092
Energy: 1.6925130585388506
Energy: 1.6335232060437737
Energy: 1.6925130939366693
Energy: 1.471648937157938
Energy: 1.164069359946379
Energy: 1.5852737248771769
Energy: 1.1640693600120453
Energy: 1.4716489371674486
Energy: 1.1640693599504548
Energy: 1.9865018477535232
Energy: 1.3190573415589577
Energy: 1.9865018477499001
Energy: 1.3190573415585047
Energy: 1.9865018477557876
Energy: 1.3190573415607691
Energy: 1.3354545436677454
Energy: 1.539106794030768
Energy: 1.3354545435930631
Energy: 1.539106794030768
Energy: 1.33545454367318
Energy: 1.5391067940303151
Energy: 1.857946117155121
Energy: 1.5340852192907704
Energy: 1.8579461171659903
Energy: 1.5340852192907704
Energy: 1.8579461171555742
Energy: 1.534085219291676
Energy: 1.1572220319716524
Energy: 1.2257168258731066
Energy: 1.1572220319725168
Energy: 1.2257168258758238
Energy: 1.157222031969841
Energy: 1.2257168258699365
Energy: 1.6357384117217526
Energy: 1.5770816662110911
Energy: 1.6357384117208467
Energy: 1.5770816662110911
Energy: 1.635738411723111
Energy: 1.57708166621245
Energy: 2.321562853382288
Energy: 1.4830728161280913
Energy: 2.321562853381835
Energy: 1.4830729496709554
Energy: 2.3215628533800237
Energy: 1.4830729611601492
Energy: 1.473628957537947
Energy: 1.1134002078800582
Energy: 1.4736289274073797
Energy: 1.1134002078750767
Energy: 1.473628957093846
Energy: 1.113400207873265
Energy: 1.5117006415716052
Energy: 0.7292911781803815
Energy: 1.5117006415716052
Energy: 0.7292911760514798
Energy: 1.5117006415716052
Energy: 0.7292911788946814
Energy: 3.414738879950268
Energy: 1.3841513985317382
Energy: 3.414738879947551
Energy: 1.3841513985312854
Energy: 3.414738879954344
Energy: 1.3841513985344553
Energy: 1.379185165225444
Energy: 1.7926579454102134
Energy: 1.3791851652245384
Energy: 1.7926579454093077
Energy: 1.3791851652236324
Energy: 1.7926579454093077
Energy: 1.5284077773221818
Energy: 2.081894967702272
Energy: 1.242047467949494
Energy: 2.0818949676434397
Energy: 1.528407778438013
Energy: 2.081894967697743
Energy: 1.1216129296767445
Energy: 1.727220870559809
Energy: 1.1216129299161894
Energy: 1.727220870559809
Energy: 1.1216129299709867
Energy: 1.7272208705602619
Energy: 1.9927165566794192
Energy: 0.896484607941549
Energy: 1.964381770605095
Energy: 0.8964846078523748
Energy: 1.9927165566776075
Energy: 0.8964846078745243
Energy: 1.5212516147633068
Energy: 1.2395318417562768
Energy: 1.1851668550874
Energy: 1.6035130114061555
Energy: 1.5212516147660238
Energy: 1.6909128819367227
Energy: 1.3321968288356456
Energy: 1.6400268207619095
Energy: 0.8767227497355924
Energy: 1.7587805348126104
Energy: 1.3321968288202481
Energy: 1.633756497980989
Energy: 2.052975433775878
Energy: 1.4321377184339596
Energy: 2.052975433762745
Energy: 1.4321377184348651
Energy: 2.052975433776784
Energy: 1.4321377184344124
Energy: 0.8536143395315499
Energy: 1.7222360447719838
Energy: 0.853614339527021
Energy: 1.7222360447728897
Energy: 0.8536143395329083
Energy: 1.7222360447728897
Energy: 1.149948212583663
Energy: 1.3925246827996738
Energy: 1.1499482125727942
Energy: 1.3925246901175214
Energy: 1.1499482125723415
Energy: 1.39252466093757
Energy: 1.2062209720332986
Energy: 2.0413125789399778
Energy: 1.2062209829462356
Energy: 2.0413125789408832
Energy: 1.2062209706223195
Energy: 2.041312578938619
Energy: 2.75106588418473
Energy: 2.191948082095713
Energy: 2.7510658841869944
Energy: 2.191948082095713
Energy: 2.7510658841865414
Energy: 2.19194808209526
Energy: 1.427274531479254
Energy: 1.206771255394688
Energy: 1.3652932196039667
Energy: 1.2067712553974055
Energy: 1.4272745314810655
Energy: 1.2067712553933296
Energy: 1.2970604488149793
Energy: 1.289257550016615
Energy: 1.297060448834
Energy: 1.2892575500220498
Energy: 1.297060448834
Energy: 1.2892575500206909
Energy: 2.123870768152031
Energy: 1.5164740906157883
Energy: 2.1238707681538425
Energy: 1.5164740906144298
Energy: 2.123870768147502
Energy: 1.5164740906180527
Energy: 0.8282421223129645
Energy: 1.7605185110408177
Energy: 0.8282421325129191
Energy: 1.7605185110403652
Energy: 0.8282421223645504
Energy: 1.7605185110408177
Energy: 1.5925168968025643
Energy: 0.9503271314900478
Energy: 1.685436789809357
Energy: 0.9503271314791791
Energy: 1.5925168961633995
Energy: 0.9503271314927652
Energy: 1.7846401617995133
Energy: 0.834394815541473
Energy: 1.7846401618067593
Energy: 0.8343948150371814
Energy: 1.7846401617963432
Energy: 0.834394813756135
Energy: 1.4386643668137788
Energy: 1.6960056967734147
Energy: 1.4386643668178547
Energy: 1.6960056967747732
Energy: 1.438664366817402
Energy: 1.6960056967747732
Energy: 1.766858191111571
Energy: 1.2253450784450475
Energy: 1.7668581906733987
Energy: 1.2253477842554672
Energy: 1.766858191111571
Energy: 1.2253442191513513
Energy: 1.6005169638637167
Energy: 1.5613609047606267
Energy: 1.600516963861905
Energy: 1.561360904794098
Energy: 1.6005169638587349
Energy: 1.5613609047135284

minimum gb energy = 0.6876304936881382 eV
minimum distance =  2.15603316164915 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.6968456699362262
Energy: 0.8688819078854816
Energy: 0.6968456699141911
Energy: 0.8688819078948775
Energy: 0.6968456699362262
Energy: 0.8688819078749885
Energy: 1.780096130241949
Energy: 2.1177265968879926
Energy: 1.7800961302839207
Energy: 2.1177265968879926
Energy: 1.7800961302429985
Energy: 2.1177265968869436
Energy: 0.968907701373446
Energy: 1.1925211631338906
Energy: 0.9689077013713473
Energy: 1.1925211634139565
Energy: 0.9689077013713473
Energy: 1.1925211633321593
Energy: 0.6661179012792247
Energy: 1.4152857315330145
Energy: 0.6661179012771261
Energy: 1.4152857315330145
Energy: 0.6661179012771261
Energy: 1.4152857315330145
Energy: 1.1804899917431733
Energy: 1.2833165306702845
Energy: 1.1804899917442224
Energy: 1.2833165306692353
Energy: 1.1804899917442224
Energy: 1.2833165306692353
Energy: 1.6097048027914156
Energy: 1.7449056672181888
Energy: 1.609704802792465
Energy: 1.7449056672171397
Energy: 1.6097048027914156
Energy: 1.7449056672181888
Energy: 0.7469510426042094
Energy: 1.1560195282804266
Energy: 0.7469510433929444
Energy: 1.1560195282814758
Energy: 0.7469510424301221
Energy: 1.1560195282804266
Energy: 1.2221580125910858
Energy: 1.5645902775762626
Energy: 1.2221580125910858
Energy: 1.5645902778122585
Energy: 1.222158012592135
Energy: 1.5645902777304133
Energy: 1.2251924742725973
Energy: 1.006742110040128
Energy: 1.2251924742704987
Energy: 1.0067421100495715
Energy: 1.2251924742704987
Energy: 1.0067421100411773
Energy: 0.27528368683981347
Energy: 1.9311239671354556
Energy: 0.27528368682407406
Energy: 1.9311239671354556
Energy: 0.2752836867485726
Energy: 1.9311239671354556
Energy: 1.3745583426129329
Energy: 0.9734778784032637
Energy: 1.3745583051823864
Energy: 0.9734778784169046
Energy: 1.374558342915034
Energy: 0.9734778769590063
Energy: 1.0491114089646632
Energy: 1.193646182889821
Energy: 1.0491114086531659
Energy: 1.1936461833932435
Energy: 1.0491114089447264
Energy: 1.1936461828940181
Energy: 1.916529561996636
Energy: 1.2730142989139328
Energy: 1.916529561996636
Energy: 1.2730142989139328
Energy: 1.916529561996636
Energy: 1.27301429805914
Energy: 1.0929043712440785
Energy: 2.234245867248845
Energy: 1.09290437124198
Energy: 2.234245867248845
Energy: 1.0929043712430293
Energy: 2.234245867248845
Energy: 1.6479136323028563
Energy: 1.6882555504308185
Energy: 1.6479136323018069
Energy: 1.6882555504308185
Energy: 1.6479136323028563
Energy: 1.6882555504308185
Energy: 0.9889686283355987
Energy: 1.2432746423148044
Energy: 0.9889686284509732
Energy: 1.2432746421301766
Energy: 0.9889686282684439
Energy: 1.2432753099272247
Energy: 1.5096455755534606
Energy: 1.1162435804593203
Energy: 1.5096455755524114
Energy: 1.1162435804593203
Energy: 1.5096455755534606
Energy: 1.1162435804593203
Energy: 1.153673152357182
Energy: 1.3132022186342736
Energy: 1.1536731523330481
Energy: 1.3132022186510623
Energy: 1.1536731523708226
Energy: 1.3132022186353227

minimum gb energy = 0.2752836867485726 eV
minimum distance =  2.21035572758417 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.4346060130955398
Energy: 0.58590220428462
Energy: 0.43462359976995446
Energy: 0.5859022042952009
Energy: 0.4346093270454247
Energy: 0.5859022042852423
Energy: 1.724742778937148
Energy: 0.4272837865183387
Energy: 1.7247427789408825
Energy: 0.4272837864890854
Energy: 1.7247427789402603
Energy: 0.42728378651771626
Energy: 2.3079628522524387
Energy: 1.545026340957664
Energy: 2.3079628522001845
Energy: 1.545026340957664
Energy: 2.3079628522524387
Energy: 1.5450263409570415
Energy: 0.9679376975371087
Energy: 0.04833331067908735
Energy: 0.967937697534619
Energy: 0.04833331068593387
Energy: 0.9679376975308845
Energy: 0.04833331068717869
Energy: 0.9791706501530625
Energy: 0.5780374763231102
Energy: 0.9791706501356632
Energy: 0.5780374771598563
Energy: 0.9791706501953864
Energy: 0.5780374757003318
Energy: 0.9253872925375632
Energy: 0.5559841800598374
Energy: 0.9253872925375632
Energy: 0.555984180056103
Energy: 0.9253872925369409
Energy: 0.555984180059215
Energy: 0.3461845907289946
Energy: 0.3512026424420035
Energy: 0.3461845907302394
Energy: 0.3512026422180489
Energy: 0.346184590729617
Energy: 0.3512026423885045
Energy: 0.12351427526230373
Energy: 1.2809780989658657
Energy: 0.12351427527101748
Energy: 1.2809780989671107
Energy: 0.12351427527599676
Energy: 1.2809780989671107
Energy: 1.9071909916377705
Energy: 0.6118003367221949
Energy: 1.9071909916383927
Energy: 0.6118003367221949
Energy: 1.9071909916377705
Energy: 0.6118003367215725
Energy: 0.43469665161371723
Energy: 0.5859022045807742
Energy: 0.4346993861525387
Energy: 0.585902204578907
Energy: 0.43470050950798467
Energy: 0.585902204578907
Energy: 1.7247427789421275
Energy: 0.4272837877451948
Energy: 1.7247427789421275
Energy: 0.42728378771282943
Energy: 1.7247427789421275
Energy: 0.42728378772901215
Energy: 2.307962852159756
Energy: 1.545026340956419
Energy: 2.3079628521479303
Energy: 1.5450263409570415
Energy: 2.307962852161001
Energy: 1.545026340956419
Energy: 0.9679376975364864
Energy: 0.048333310726362266
Energy: 0.9679376975402207
Energy: 0.04833331072698467
Energy: 0.9679376975532914
Energy: 0.04833331072511744
Energy: 0.9791706689707693
Energy: 0.5780365036043784
Energy: 0.9791706689464954
Energy: 0.5780366012377675
Energy: 0.9791706690354717
Energy: 0.5780365001695774
Energy: 0.9253872925406754
Energy: 0.5559841799391463
Energy: 0.925387292540053
Energy: 0.5559841799553291
Energy: 0.9253872925406754
Energy: 0.5559841799515945
Energy: 0.346184590726505
Energy: 0.35120264640749455
Energy: 0.3461845907271273
Energy: 0.3512026464466781
Energy: 0.346184590732729
Energy: 0.3512026465443682
Energy: 0.12351427529280183
Energy: 1.2809780989658657
Energy: 0.12351427529466907
Energy: 1.2809780989658657
Energy: 0.12351427527537434
Energy: 1.2809780989658657
Energy: 1.9071909916365257
Energy: 0.6118003367215725
Energy: 1.9071909916365257
Energy: 0.6118003367228173
Energy: 1.907190991637148
Energy: 0.6118003367221949
Energy: 0.4348046072081475
Energy: 0.5859022048370943
Energy: 0.43480187136034
Energy: 0.5859022048383391
Energy: 0.4348015159611821
Energy: 0.5859022048377166
Energy: 1.7247427789390155
Energy: 0.4272837883586087
Energy: 1.7247427789415049
Energy: 0.427283788310089
Energy: 1.7247427789390155
Energy: 0.42728378833993635
Energy: 2.3079628521666025
Energy: 1.5450263409570415
Energy: 2.307962852167225
Energy: 1.545026340957664
Energy: 2.307962852167225
Energy: 1.5450263409570415
Energy: 0.9679376975389757
Energy: 0.048333310764329306
Energy: 0.9679376975501792
Energy: 0.048333310756860384
Energy: 0.967937697542088
Energy: 0.048333310761839665
Energy: 0.9791706512374432
Energy: 0.5780362353257836
Energy: 0.9791706512125752
Energy: 0.5780362299878774
Energy: 0.9791706512361984
Energy: 0.5780362767400219
Energy: 0.925387292538808
Energy: 0.5559841801008883
Energy: 0.9253872925381857
Energy: 0.55598418008844
Energy: 0.925387292538808
Energy: 0.555984180091552
Energy: 0.3461845907289946
Energy: 0.35120264280656643
Energy: 0.3461845907271273
Energy: 0.35120264269147705
Energy: 0.3461845907283722
Energy: 0.3512026424357794
Energy: 0.12351427527101748
Energy: 1.2809780989658657
Energy: 0.12351427522747702
Energy: 1.2809780989658657
Energy: 0.12351427528284327
Energy: 1.2809780989658657
Energy: 1.9071909916396377
Energy: 0.6118003367240622
Energy: 1.9071909916402598
Energy: 0.6118003367234397
Energy: 1.9071909916402598
Energy: 0.6118003367240622
Energy: 0.4348234475882113
Energy: 0.5859022051133032
Energy: 0.43482693505255804
Energy: 0.5859022051151704
Energy: 0.4348221744931146
Energy: 0.5859022051095969
Energy: 1.7247427789415049
Energy: 0.42728378992077437
Energy: 1.7247427789408825
Energy: 0.4272837899195296
Energy: 1.7247427789415049
Energy: 0.4272837899220192
Energy: 2.307962852179645
Energy: 1.5450263409557967
Energy: 2.3079628521802675
Energy: 1.545026340956419
Energy: 2.3079628521784
Energy: 1.545026340955174

minimum gb energy = 0.04833331067908735 eV
minimum distance =  2.29751288172758 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4753352641043764
Energy: 0.7291957753873735
Energy: 1.475335264102852
Energy: 0.7291957865439298
Energy: 1.475335264102852
Energy: 0.7291957856661827
Energy: 1.5692522499199097
Energy: 0.08445916170805894
Energy: 1.5692522499260082
Energy: 0.08445891384384853
Energy: 1.5692522499183852
Energy: 0.08445914218064644
Energy: 1.6977647625396572
Energy: 1.2564655948466088
Energy: 1.6977647625457557
Energy: 1.2564655959956286
Energy: 1.697764762538133
Energy: 1.256465595169683
Energy: 1.0856748704881056
Energy: 0.5102051580853462
Energy: 1.0856748719967897
Energy: 0.5102051580883955
Energy: 1.0856748712211208
Energy: 0.5102051580838217
Energy: 1.5598756194418995
Energy: 1.2849827915075092
Energy: 1.5598756194418995
Energy: 1.284982791501411
Energy: 1.5598756194449488
Energy: 1.2849827914998864
Energy: 1.1700518534517306
Energy: 1.1301201751028023
Energy: 1.1700518534532554
Energy: 1.1301201751028023
Energy: 1.1700518534517306
Energy: 1.1301201751028023
Energy: 0.5447849334892438
Energy: 0.5914008973927203
Energy: 0.5447849334861947
Energy: 0.5904642655345113
Energy: 0.5447849334892438
Energy: 0.5913605933315367
Energy: 0.9236489885727583
Energy: 0.552776855699762
Energy: 0.9236489885727583
Energy: 0.552776855699762
Energy: 0.9236489885758076
Energy: 0.552776855699762
Energy: 1.8776227638824539
Energy: 0.4681094193074915
Energy: 1.8776227638824539
Energy: 0.4681298761501205
Energy: 1.8776227638733063
Energy: 0.4098619164102189
Energy: 1.0992862116723028
Energy: 1.0005476920696323
Energy: 1.0992862125195926
Energy: 1.0005476920696323
Energy: 1.0992862119908031
Energy: 1.000547692071157
Energy: 1.0282682052245165
Energy: 0.6111671929296987
Energy: 1.0282682052260408
Energy: 0.61116719303791
Energy: 1.0282682052214671
Energy: 0.6111671928748482
Energy: 0.9720406192403761
Energy: 0.5354162058543657
Energy: 0.9720406192403761
Energy: 0.5354162058543657
Energy: 0.9720406192403761
Energy: 0.5354162058543657

minimum gb energy = 0.08445891384384853 eV
minimum distance =  2.30371030658881 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.484925682641471
Energy: 2.0569171981854075
Energy: 1.4850359992938824
Energy: 2.0569171981871213
Energy: 1.4849105076929336
Energy: 2.0569171981871213
Energy: 1.73724111514109
Energy: 3.3583204786761107
Energy: 1.7372411151286673
Energy: 3.358320478673112
Energy: 1.737241115140233
Energy: 3.358320478673112
Energy: 1.7132504099312729
Energy: 1.7590727315309267
Energy: 1.713250409933843
Energy: 1.7590727315253578
Energy: 1.7132504099389834
Energy: 1.7590727315287848
Energy: 0.5100750766733901
Energy: 1.4948550175500774
Energy: 0.5100750765381024
Energy: 1.4948550175342277
Energy: 0.5100750799798015
Energy: 1.4948550175466504
Energy: 1.3088120657432782
Energy: 2.528818914333611
Energy: 1.308812069993433
Energy: 2.5288189143263287
Energy: 1.308812067765157
Energy: 2.528818914351174
Energy: 1.6350161037495785
Energy: 1.893869711283205
Energy: 1.6350161044312357
Energy: 1.8938697112827765
Energy: 1.635016104524582
Energy: 1.8938697112823482
Energy: 2.013490762262312
Energy: 2.0247139802253433
Energy: 2.013490762262312
Energy: 2.0247139802249148
Energy: 2.0134907622152305
Energy: 2.0247139802287704
Energy: 0.8306729120428792
Energy: 1.2565840000895137
Energy: 0.8306729120514077
Energy: 1.2565840000398225
Energy: 0.8306729120424508
Energy: 1.256584000113892
Energy: 2.3937591538294583
Energy: 0.990611955472573
Energy: 2.393759153828173
Energy: 0.9905617535526368
Energy: 2.3937591538273164
Energy: 0.9905530504031098
Energy: 0.9258842811827631
Energy: 1.3568579014990432
Energy: 0.9258842811836198
Energy: 1.5258202886647358
Energy: 0.925884281180621
Energy: 1.2511967630893601
Energy: 1.6359115898237844
Energy: 1.0181829831214975
Energy: 1.6359115898203573
Energy: 1.0181829829548996
Energy: 1.6359115898165024
Energy: 1.0181829832289409
Energy: 1.4415519109735815
Energy: 1.3304627443771713
Energy: 1.4415519109748665
Energy: 1.3304627443767432
Energy: 1.4415519109740098
Energy: 1.3304627443763146
Energy: 1.9792193021541327
Energy: 1.2601618634621445
Energy: 1.979219302243195
Energy: 1.2601618635640581
Energy: 1.9792193021511342
Energy: 1.2601618636094658
Energy: 1.3938829200760294
Energy: 0.24677213073611398
Energy: 1.393882920073031
Energy: 0.24677213073782744
Energy: 1.393882920075601
Energy: 0.24677213073782744
Energy: 1.2295407705556167
Energy: 1.5601088148375493
Energy: 1.2295407703184154
Energy: 1.560108814836264
Energy: 1.2295407704464598
Energy: 1.5601088148392628
Energy: 1.7169652779157838
Energy: 1.7444037489338187
Energy: 1.7169652774957453
Energy: 1.744403748934247
Energy: 1.7169652777560789
Energy: 1.7444037489338187
Energy: 1.4595640306527624
Energy: 1.9211078179089816
Energy: 1.459564030652334
Energy: 1.9211078179650596
Energy: 1.4595640306566178
Energy: 1.9211078179042693
Energy: 0.9442711001457885
Energy: 1.0539122767693245
Energy: 0.9442711000314521
Energy: 1.0539121094091968
Energy: 0.9442711001226566
Energy: 1.053913082705347
Energy: 1.0629661517495061
Energy: 1.5523266923081442
Energy: 1.062966161892701
Energy: 1.5523266923038606
Energy: 1.0629661514840323
Energy: 1.5523266923098578
Energy: 1.6882430599703755
Energy: 1.8405380946172385
Energy: 1.6882519261031552
Energy: 5.189881573600225
Energy: 1.6882615090115896
Energy: 5.189881532710994
Energy: 1.575273679105474
Energy: 1.5577703000309595
Energy: 1.5752736790994768
Energy: 1.5577702995432772
Energy: 1.57527367909862
Energy: 1.557770299598498
Energy: 0.7971249149819354
Energy: 0.822900544278817
Energy: 0.7971601509148029
Energy: 0.8229005442878127
Energy: 0.797124996752296
Energy: 0.8229005442732481
Energy: 1.3571100433165346
Energy: 1.2766456773037933
Energy: 1.3571100433152496
Energy: 1.2766456774060964
Energy: 1.3571100433156782
Energy: 1.276645676386609
Energy: 1.7194991850467192
Energy: 1.4109952753398225
Energy: 1.7194991850471473
Energy: 1.4109952752918837
Energy: 1.7194991850462908
Energy: 1.4109952752888852
Energy: 1.778095247646637
Energy: 1.3515425900203828
Energy: 1.77809524764321
Energy: 1.3511871496569035
Energy: 1.7780952476444951
Energy: 1.349951382587932
Energy: 1.606258017424871
Energy: 1.1867725967093008
Energy: 1.606258017422301
Energy: 1.1867703711396693
Energy: 1.6062580174278698
Energy: 1.186772601159856
Energy: 1.5438474219533724
Energy: 1.9187842866839977
Energy: 1.5438474262428983
Energy: 1.9187842867199811
Energy: 1.5438474244402296
Energy: 1.918784286741828
Energy: 1.1333648120527535
Energy: 1.2571368943824333
Energy: 1.133364811879769
Energy: 1.081987971247907
Energy: 1.133364811993249
Energy: 1.2800481096316558
Energy: 1.7072243478115856
Energy: 0.8327973275425804
Energy: 1.7072243478060167
Energy: 0.8328094984580334
Energy: 1.70722434780773
Energy: 0.8333613059976235
Energy: 0.4391161833170455
Energy: 2.0159880443603333
Energy: 0.4371884946908164
Energy: 2.015988044307254
Energy: 0.4391144207720006
Energy: 2.015988044302542
Energy: 2.4782353347823016
Energy: 1.3508132117960545
Energy: 2.4782353347865853
Energy: 1.3508132117943412
Energy: 2.478235334784872
Energy: 1.3508132117468308
Energy: 1.031225336031997
Energy: 1.562543055745944
Energy: 1.0312253360302834
Energy: 1.5625518801237142
Energy: 1.0312253360289982
Energy: 1.562547754821588
Energy: 1.7262377829985378
Energy: 1.8815276872364772
Energy: 1.7262377830049638
Energy: 1.881527687234764
Energy: 1.726237783006677
Energy: 1.8815276872377626
Energy: 1.3792064810167841
Energy: 2.8958875465601004
Energy: 1.3792064810159272
Energy: 2.7715047590353246
Energy: 1.3792064810142137
Energy: 2.771504759038323
Energy: 2.139915526937928
Energy: 2.5270289072907537
Energy: 2.1399155269392134
Energy: 2.52702890728904
Energy: 2.1399155269396415
Energy: 2.527028907288612
Energy: 1.0362535562703619
Energy: 1.1887011330128543
Energy: 1.0362535560999477
Energy: 1.1887012518946296
Energy: 1.0362535562202424
Energy: 1.1887012580459007
Energy: 1.7093865071255285
Energy: 1.5015021823803918
Energy: 1.7093865071229584
Energy: 1.5015021713230112
Energy: 1.7093865071323435
Energy: 1.501502204439036
Energy: 1.7046859342573664
Energy: 3.105035609594329
Energy: 1.7046859346654106
Energy: 2.984898673924849
Energy: 1.7046859346226122
Energy: 2.984898673930418
Energy: 1.4849300427907886
Energy: 2.0569171981866923
Energy: 1.4849299667837494
Energy: 2.0569171981871213
Energy: 1.4849303317927722
Energy: 2.0569171981866923
Energy: 1.737241115111104
Energy: 3.3583204786756826
Energy: 1.737241115117101
Energy: 3.3583204786756826
Energy: 1.7372411151085336
Energy: 3.3583204786752536
Energy: 1.7132504099402688
Energy: 1.7590727315215025
Energy: 1.7132504099526915
Energy: 1.7590727315227874
Energy: 1.7132504099424106
Energy: 1.7590727315257864
Energy: 0.5100750786074912
Energy: 1.4948550175479356
Energy: 0.5100750769217293
Energy: 1.4948550175248034
Energy: 0.5100750775554477
Energy: 1.494855017535941
Energy: 1.3088151543864426
Energy: 2.5288189142976667
Energy: 1.3088151528663825
Energy: 2.528818914334896
Energy: 1.3088150870260988
Energy: 2.5288189143010933

minimum gb energy = 0.24677213073611398 eV
minimum distance =  1.82943987092378 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.5796176424619852
Energy: 0.5413854484589683
Energy: 0.4115299040483146
Energy: 0.5413854484589683
Energy: 0.5796176424600349
Energy: 0.5413854484579932
Energy: 2.213979974845027
Energy: 2.5217583197518385
Energy: 2.2139799748440523
Energy: 2.8315729618830265
Energy: 2.2139799748460023
Energy: 2.521758335280739
Energy: 1.2710947034275428
Energy: 2.1731706011646374
Energy: 1.2710947043008602
Energy: 2.443851376990681
Energy: 1.271094703038643
Energy: 2.1731706011695127
Energy: 0.8561268034050048
Energy: 0.7557144570565495
Energy: 0.7674123939105768
Energy: 0.5646580793306663
Energy: 0.8560999681756757
Energy: 0.7557144570545993
Energy: 0.23953126188004592
Energy: 1.9107135768858168
Energy: 0.23953477633349027
Energy: 1.9107135771090331
Energy: 0.23955174104274543
Energy: 1.9107135771772477
Energy: 0.7869759364620705
Energy: -0.28532356150193106
Energy: 0.7869758938073589
Energy: -0.2853235614892544
Energy: 0.7869759496214496
Energy: -0.28532356149998084
Energy: 1.166506157579296
Energy: 0.6531357002736459
Energy: 1.1665061575783209
Energy: 0.6531357002726708
Energy: 1.1665061575773459
Energy: 0.6531357002726708
Energy: 1.7603441111360003
Energy: 1.2056022670780286
Energy: 1.7603441110726612
Energy: 1.2056022670770534
Energy: 1.7603440829838204
Energy: 1.205602267073153
Energy: -1.4952111061630613
Energy: 0.16740956055722672
Energy: -1.4952111087021667
Energy: 0.7455029119522325
Energy: -1.49521110872065
Energy: 0.16740956058745576
Energy: 1.1860063310192475
Energy: 2.044404696678723
Energy: 1.1860063310280236
Energy: 2.0444046968151968
Energy: 1.1860063310319242
Energy: 2.0444046966289915
Energy: -0.0726771072770966
Energy: 0.9655414740849856
Energy: -0.07267714599206147
Energy: 0.965545306597682
Energy: -0.07267712254572607
Energy: 0.9655403832420982
Energy: 0.5796176424580848
Energy: 0.5413854484589683
Energy: 0.4115299040483146
Energy: 0.5413854484599434
Energy: 0.5796176424580848
Energy: 0.5413854484609186
Energy: 2.2139799748460023
Energy: 2.5217582918199497
Energy: 2.213979974843077
Energy: 2.8315729618781504
Energy: 2.213979974845027
Energy: 2.5217582639368166
Energy: 1.2710947044860463
Energy: 2.1731706011812144
Energy: 1.2710947043641994
Energy: 2.4438513769897057
Energy: 1.271094704043559
Energy: 2.173170601179264
Energy: 0.6840964132928847
Energy: 0.7557144570545993
Energy: 0.6838823228956352
Energy: 0.5646580793326165
Energy: 0.6840966142100833
Energy: 0.7557144570565495
Energy: 0.23957621257421238
Energy: 1.9107135767649452
Energy: 0.23954228227365265
Energy: 1.9107135770368735
Energy: 0.23952750080390867
Energy: 1.9107135771577453
Energy: 0.6901543345387615
Energy: -0.2853235614902295
Energy: 0.7869756287638403
Energy: -0.2853235614912046
Energy: 0.6889915061803638
Energy: -0.2853235614912046
Energy: 1.1665061575802713
Energy: 0.6531357002765713
Energy: 1.1665061575783209
Energy: 0.6531357002765713
Energy: 1.1665061575773459
Energy: 0.6531357002765713
Energy: 1.7603441391419992
Energy: 1.2056022670916804
Energy: 1.76034412041219
Energy: 1.2056022670790036
Energy: 1.7603440969044657
Energy: 1.205602267099437

minimum gb energy = -1.49521110872065 eV
minimum distance =  2.45749327046001 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2257377265925646
Energy: 1.2431502940736352
Energy: 1.2257377265147058
Energy: 1.2431502940722066
Energy: 1.2257377265925646
Energy: 1.2431502940800638
Energy: 2.027855125676928
Energy: 1.14086652644211
Energy: 2.027855125676214
Energy: 1.1408665047640807
Energy: 2.027855125676928
Energy: 1.1408665901545445
Energy: 1.1731162534938184
Energy: 1.5647711445391947
Energy: 1.1731162534131023
Energy: 1.5647711443413979
Energy: 1.173116253466675
Energy: 1.5647711447283548
Energy: 1.8741453676723134
Energy: 1.4960584765894227
Energy: 1.8741453677079634
Energy: 1.4960584765901368
Energy: 1.874145367673742
Energy: 1.4960584765901368
Energy: 1.8541466445404382
Energy: 1.2324013112803558
Energy: 1.8541466445425812
Energy: 1.232401350994383
Energy: 1.8541466445404382
Energy: 1.2324013114395804
Energy: 1.7740306811889424
Energy: 0.9124413368585297
Energy: 1.7740306811882929
Energy: 0.9125017315749006
Energy: 1.7740306811925135
Energy: 0.912497101930084
Energy: 1.4763520961893684
Energy: 1.855313238436668
Energy: 1.4763541972086291
Energy: 1.855313238443097
Energy: 1.4763517196972327
Energy: 1.8553132384423827
Energy: 1.3049298558664857
Energy: 1.919365517457181
Energy: 1.3049287788730342
Energy: 1.919365517459324
Energy: 1.3049298863172487
Energy: 1.9193655174607527
Energy: 1.8571288912236512
Energy: 1.4474281232508175
Energy: 1.8571288912236512
Energy: 1.4474281232393886
Energy: 1.8571288912236512
Energy: 1.4474281232351027
Energy: 1.9342342480986596
Energy: 2.0988605005053973
Energy: 1.9342342480986596
Energy: 2.0988605005053973
Energy: 1.9342342480979455
Energy: 2.098860500504683
Energy: 1.698548399246821
Energy: 1.6165276909586197
Energy: 1.348180673027042
Energy: 1.616527690959334
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Energy: 1.6165276909586197
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Energy: 2.019177144333677
Energy: 1.3888944884903875
Energy: 0.6396257643289669
Energy: 2.2579246061163696
Energy: 0.6396257910491248
Energy: 2.2579246061135123
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Energy: 2.2579246061170837
Energy: 1.7942065243985956
Energy: 1.3679784638335257
Energy: 1.7942065243885954
Energy: 1.3679784152776073
Energy: 1.7942065243921668
Energy: 1.3679784640620376
Energy: 1.5809568415819315
Energy: 1.2860282552393476
Energy: 1.5809568415819315
Energy: 1.286028255320064
Energy: 1.5809568415755029
Energy: 1.2860282553243496
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Energy: 1.9366393980166499
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Energy: 1.9366393980180785
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Energy: 2.268225878974291
Energy: 2.1407955341050533
Energy: 2.2682258789757195
Energy: 2.1407955341050533
Energy: 2.2682258789757195
Energy: 2.1407955341050533
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Energy: 1.6694186174612349
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Energy: 1.6694186174705206
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Energy: 0.8832989856148419
Energy: 1.0504829109676561
Energy: 0.8832989856134134
Energy: 1.0504829109697988
Energy: 0.8832989856041273
Energy: 2.0020847051749953
Energy: 1.0418612004093037
Energy: 2.002084705171424
Energy: 1.0418924916917183
Energy: 2.0020847051699953
Energy: 1.0418592753173868
Energy: 1.6384081775710317
Energy: 1.888425601187979
Energy: 1.6384081775588888
Energy: 1.8884256011872644
Energy: 1.638408177566746
Energy: 1.8884256011865501
Energy: 0.825668272298368
Energy: 1.703370760656859
Energy: 0.5960757214251895
Energy: 1.7033707606440014
Energy: 0.8256704829164397
Energy: 1.703370760656145
Energy: 1.470626414633379
Energy: 1.6545019085722663
Energy: 1.470626414659094
Energy: 1.65450190856798
Energy: 1.4706264146419508
Energy: 1.654501908578695
Energy: 1.53570799033888
Energy: 1.6006302079004726
Energy: 1.535707990341023
Energy: 1.6006302079004726
Energy: 1.5357079903395943
Energy: 1.6006302079047585
Energy: 1.6329141273509615
Energy: 2.9492333909935193
Energy: 1.6329141275722652
Energy: 2.949233391002805
Energy: 1.632914127583694
Energy: 2.9492333909956616

minimum gb energy = 0.5960757214251895 eV
minimum distance =  1.87941059671197 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.4484487864740821
Energy: 1.1395591271447132
Energy: 0.4484487864723931
Energy: 1.1395591271435872
Energy: 0.4484487864729561
Energy: 1.1395591271407723
Energy: 2.0063893507682775
Energy: 2.4769387584019427
Energy: 2.006389350767714
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Energy: 2.0063893507682775
Energy: 2.4769387584013796
Energy: 1.1057962349524706
Energy: 1.5598255508318486
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Energy: 1.3835771859934536
Energy: 1.1057962349524706
Energy: 1.5604215321518387
Energy: 1.7705230652418047
Energy: 0.7657448300964147
Energy: 1.7705230652423678
Energy: 0.765744785801314
Energy: 1.7705230652429307
Energy: 0.7657448553629126
Energy: 1.0704680911506537
Energy: 1.123504148501688
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Energy: 1.0704680911506537
Energy: 1.1235041485163257
Energy: 2.056540750773279
Energy: 2.6609406836530676
Energy: 2.0565407507653974
Energy: 2.6609406836530676
Energy: 2.0565407507637086
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Energy: 1.3396262676625246
Energy: 1.1717716385425723
Energy: 1.3396262676771624
Energy: 1.1718139483147652
Energy: 1.3396262676771624
Energy: 1.1718535827132206
Energy: 1.9034953135761117
Energy: 1.4371068854986482
Energy: 1.903495313564289
Energy: 1.4371068854997229
Energy: 1.903495313574423
Energy: 1.4371068854986482
Energy: 0.21976657434660682
Energy: 1.0934838694380358
Energy: 0.2197664028516512
Energy: 1.0934838694374727
Energy: 0.21976649002992088
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Energy: 2.032121355164139
Energy: 1.461153003945305
Energy: 2.032121355164702
Energy: 1.4611530039678244
Energy: 2.032121355163576
Energy: 1.4611530039503717
Energy: 1.0209332535938151
Energy: 2.3508398740484897
Energy: 1.0209332536101419
Energy: 2.3508398740513043
Energy: 1.020933253596067
Energy: 2.3508398740484897
Energy: 1.001195576230339
Energy: 1.5584969254052154
Energy: 1.0011955762309022
Energy: 1.5584969223737104
Energy: 1.0011955762309022
Energy: 1.5584969253168768
Energy: 0.9440164108825586
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Energy: 0.9440164108836846
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Energy: 0.9440164108825586
Energy: 1.089994409185142
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Energy: 1.7924282366118196
Energy: 2.1763167631604396
Energy: 1.7924282366815791
Energy: 2.176316763162691
Energy: 1.7924282366230793
Energy: 1.621813714627484
Energy: 2.8090609886256237
Energy: 1.621813714628047
Energy: 2.8090609886250606
Energy: 1.6218137146286098
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Energy: 1.1357321665296256
Energy: 0.778964903443996
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Energy: 1.629053349784215
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Energy: 1.942457601187043
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Energy: 0.8742907590086075
Energy: 0.8570678100416583
Energy: 0.8742907587064347
Energy: 0.8570678100360797
Energy: 0.8742907588302417
Energy: 3.5649079255036193
Energy: 1.3008759210212297
Energy: 3.5649079255058718
Energy: 1.3008759210353045
Energy: 3.564907925504746
Energy: 1.3008759210302376
Energy: 1.1306073823966971
Energy: 3.377254822078315
Energy: 1.130607322942486
Energy: 3.377254822078315
Energy: 1.1306072617151075
Energy: 3.377254822077752
Energy: 1.2623700548506207
Energy: 1.6646207201350898
Energy: 1.2623700548545616
Energy: 1.664620720126645
Energy: 1.2623700548562504
Energy: 1.6646207201272076
Energy: -0.02107107552556859
Energy: 2.147826784258138
Energy: -0.021071077241976294
Energy: 2.1478267842598275
Energy: -0.021071075269560976
Energy: 2.147826784262642
Energy: 3.1008464899398356
Energy: 2.6528150536711417
Energy: 3.100846489939273
Energy: 2.6275455642769474
Energy: 3.100846489937584
Energy: 2.6528150536711417
Energy: 1.287138782897451
Energy: 2.123873340755915
Energy: 1.287138782897451
Energy: 2.123873340755915
Energy: 1.2871387828940732
Energy: 2.123873340755915
Energy: 1.04074279938326
Energy: 0.9964089153280223
Energy: 1.040742799384386
Energy: 1.5542118155821607
Energy: 1.040742799384386
Energy: 0.9967029639470817
Energy: 0.7993236897161403
Energy: 1.830478384316648
Energy: 0.7993236897127625
Energy: 1.830478384316648
Energy: 0.7993236897178294
Energy: 1.830478384312707
Energy: 2.5811110330620823
Energy: 3.3581579270397333
Energy: 2.5811110330637717
Energy: 3.3228812614118564
Energy: 2.5811110330637717
Energy: 3.3581579270397333
Energy: 1.0322750246213819
Energy: 2.5788573111794078
Energy: 1.0322750246208185
Energy: 2.5788573111794078
Energy: 1.0322750246219448
Energy: 2.5788573111788446
Energy: 0.3668164646081876
Energy: 0.9171146103081289
Energy: 0.3668164646408411
Energy: 0.9171146103070029
Energy: 0.36681646463746315
Energy: 0.917114610305314
Energy: 0.7756865728443584
Energy: 3.0466197269868425
Energy: 0.7756865728432324
Energy: 3.046619726987405
Energy: 0.7756865728437954
Energy: 3.046619726987405
Energy: 2.296655263949915
Energy: 3.917848639572271
Energy: 2.296655263952167
Energy: 3.917848639571708
Energy: 2.296655263949915
Energy: 3.917848639572271
Energy: 0.5024832265625605
Energy: 3.043574560579031
Energy: 0.5024832265625605
Energy: 3.043574560578468
Energy: 0.5024832265631235
Energy: 3.043574560579594
Energy: 1.4455242032973241
Energy: 0.9125436677502857
Energy: 1.4455242032967612
Energy: 0.9125438547875955
Energy: 1.445524203294509
Energy: 0.9125437877453842
Energy: 0.9065939288031349
Energy: 2.9359333523005295
Energy: 0.906593928802572
Energy: 2.9359333523010926
Energy: 0.9065939288020091
Energy: 2.9359333523010926

minimum gb energy = -0.021071077241976294 eV
minimum distance =  1.77328878349421 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.0102654571158718
Energy: -0.08396943647276779
Energy: 1.0102654571312455
Energy: -0.08396943902096003
Energy: 1.0102654571474092
Energy: -0.08396943656127313
Energy: 0.9308198992770746
Energy: 0.569041636879265
Energy: 0.9308198992766437
Energy: 0.5690416368926988
Energy: 0.9308198992758534
Energy: 0.5690416370025403
Energy: 1.2011223070759982
Energy: 2.04458422254391
Energy: 1.2011223070799493
Energy: 2.0445842225467112
Energy: 1.2011223070771475
Energy: 2.0445842225407485
Energy: 1.7151378878670773
Energy: 1.353609518337572
Energy: 1.715137887863126
Energy: 1.3536095183395835
Energy: 1.715137887862336
Energy: 1.3536095183435346
Energy: 0.5620707217634785
Energy: 2.3949408502857517
Energy: 0.5620707217958778
Energy: 2.3949408502857517
Energy: 0.5620707217939381
Energy: 2.394940850286111
Energy: 0.9373715717560172
Energy: 1.672835577150419
Energy: 0.9373715701624901
Energy: 1.6728355771499883
Energy: 0.9373715716940203
Energy: 1.6728355771499883
Energy: 1.106366529514781
Energy: 2.1362238814903294
Energy: 1.1063665295183014
Energy: 2.136223881470933
Energy: 1.106366529514781
Energy: 2.1362238814871684
Energy: 0.7429886668972352
Energy: 1.9447777197529992
Energy: 0.7429886669166317
Energy: 1.9447777197542202
Energy: 0.7429886668743186
Energy: 1.9447777197542202
Energy: 1.3112534531801554
Energy: 0.4783458030987881
Energy: 1.3112534532030722
Energy: 0.4783458035150937
Energy: 1.3112534531853277
Energy: 0.47834580320503767
Energy: 1.659674425657564
Energy: 0.22457321146277498
Energy: 1.6596744256571325
Energy: 0.22457323547854044
Energy: 1.659674425658713
Energy: 0.22457322188514062
Energy: 1.0552280336138022
Energy: 1.4610874929631732
Energy: 1.0552280336370776
Energy: 1.4610874929635325
Energy: 1.0552280336098512
Energy: 1.461087492961162
Energy: 1.7116741850897208
Energy: 0.862672949810705
Energy: 1.7116741850881405
Energy: 0.862672949832041
Energy: 1.7116741850858412
Energy: 0.8626729498213371
Energy: 0.7958039312471707
Energy: 2.3908049963839164
Energy: 0.7958039312435787
Energy: 2.3908049963851377
Energy: 0.7958039312463804
Energy: 2.390804996384707
Energy: 1.6915972239589152
Energy: 1.411234106574468
Energy: 1.6915972239573347
Energy: 1.4112341065724567
Energy: 1.6915972239553951
Energy: 1.411234106574468
Energy: 1.8646393267114953
Energy: 1.4842743254514292
Energy: 1.864639326707903
Energy: 1.484274325322335
Energy: 1.864639326704742
Energy: 1.4842743253953947
Energy: 0.13962745810929125
Energy: 2.366773940658824
Energy: 0.1396274581097223
Energy: 2.3667739406591832
Energy: 0.1396274581065614
Energy: 2.3667739406596144
Energy: 1.4271253065556115
Energy: 0.6869897965800406
Energy: 1.4271253065543905
Energy: 0.686989797489519
Energy: 1.4271253065564018
Energy: 0.6869897965484314
Energy: 0.486588762991656
Energy: 0.4986564527535025
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Energy: 0.49865645275034165
Energy: 1.3503832624927676
Energy: 1.1782008558200576
Energy: 1.3503832624931988
Energy: 1.1782008513225208
Energy: 1.3503832624911873
Energy: 1.1782008555862944
Energy: 2.1040917053782673
Energy: 1.0548323309968053
Energy: 2.1040917053762556
Energy: 1.054832330995225
Energy: 2.104091705377046
Energy: 1.0548323309983858
Energy: 1.137583354434104
Energy: 1.2822027957649977
Energy: 1.1375833544348943
Energy: 1.282202795839279
Energy: 1.1375833544352538
Energy: 1.2822027958625546
Energy: 1.1738211754741201
Energy: 1.1285965492793466
Energy: 1.17382117587067
Energy: 1.128596549276976
Energy: 1.1738211752170093
Energy: 1.1285965492797778
Energy: 1.2321292654738654
Energy: 0.5410823312393457
Energy: 1.2321292654719256
Energy: 0.541082331264992
Energy: 1.2321292654746556
Energy: 0.5410823312472479
Energy: 0.4511066895574683
Energy: 2.20107624831446
Energy: 0.45110668988332886
Energy: 2.2010762483120896
Energy: 0.4511066905895038
Energy: 2.2010762483112996
Energy: 0.3960328578952291
Energy: 0.5448604010569195
Energy: 0.39603287797114206
Energy: 0.5448604010059859
Energy: 0.39603286179485186
Energy: 0.5448604010099369
Energy: 0.6897456724546928
Energy: 2.44216227678491
Energy: 0.6897456724835
Energy: 2.442162276788861
Energy: 0.6897456725135287
Energy: 2.44216227678491
Energy: 1.7723015531172894
Energy: 1.0870570755455373
Energy: 1.7723015531089563
Energy: 1.087057075541586
Energy: 1.7723015531172894
Energy: 1.0870570755431663
Energy: 1.0419847767530397
Energy: 0.7786412917862215
Energy: 1.0419847767803385
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Energy: 1.0419847767783272
Energy: 0.7786412917865807
Energy: 0.6453466785724364
Energy: 2.815210099860743
Energy: 0.6453466793161111
Energy: 2.8152100998457286
Energy: 0.6453466785096494
Energy: 2.815210099811821
Energy: 1.3764883809412594
Energy: 1.3204305034424857
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Energy: 1.3204305034358046
Energy: 1.37648838094363
Energy: 1.3204305034444253
Energy: 0.9497456825883226
Energy: 0.9327076038115836
Energy: 0.9497456825843715
Energy: 0.9327076038127329
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Energy: 0.594724756330298
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Energy: 0.5947247567070922
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Energy: 0.25598073607219707
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Energy: 0.8223258767486222
Energy: 2.2891483879554957
Energy: 0.8223258747806714
Energy: 2.289148387955065
Energy: 0.8223258770076728
Energy: 2.2891483879547057
Energy: 1.4457689013849595
Energy: 1.2744492602846207
Energy: 1.4457689014185802
Energy: 1.2744492602842616
Energy: 1.4457689013920714
Energy: 1.2744492602838307
Energy: 3.159254784659946
Energy: 0.6228287520376596
Energy: 3.159254784887029
Energy: 0.6228287520246569
Energy: 3.1592547849000314
Energy: 0.6228287520463522
Energy: 1.0446594525586201
Energy: 2.810418823654131
Energy: 1.0446594525598412
Energy: 2.81041882365097
Energy: 1.0446594525570396
Energy: 2.810418823653341
Energy: 1.2887654267114201
Energy: 0.9426750563185032
Energy: 1.288765426710199
Energy: 0.942675056318144
Energy: 1.2887654267109891
Energy: 0.9426750563185032
Energy: 1.3602615573639278
Energy: 1.3758140049919285
Energy: 1.3602615573627066
Energy: 1.375814005818146
Energy: 1.3602615573634969
Energy: 1.375814004916067
Energy: 0.7055768779442348
Energy: 2.8014032298529825
Energy: 0.7055768779758438
Energy: 2.801403229854563
Energy: 0.705576877934824
Energy: 2.8014032298542038
Energy: 1.197768862987283
Energy: 0.7343089591985333
Energy: 1.1977688629940355
Energy: 0.7343089591985333
Energy: 1.197768862987283
Energy: 0.7343089591799271
Energy: 1.192309561506385
Energy: 2.5565344840636555
Energy: 1.1923095615032242
Energy: 2.556534484070336
Energy: 1.1923095615071753
Energy: 2.556534484062865
Energy: 0.8284719037616718
Energy: 1.0855900768608688
Energy: 0.8284719051585044
Energy: 1.0855900769323483
Energy: 0.8284718949995716
Energy: 1.0855900768735123
Energy: 1.4554396213707008
Energy: 0.6041969195784002
Energy: 1.455439621371922
Energy: 0.6041969195779692
Energy: 1.4554396213707008
Energy: 0.6041969195787593
Energy: 0.37126459363383835
Energy: 2.1688574988508926
Energy: 0.37126459362909703
Energy: 2.168857498850534
Energy: 0.37126459363103664
Energy: 2.168857498850534
Energy: 1.3061248101747762
Energy: 1.175941000241938
Energy: 1.3061248101755665
Energy: 1.1759410002905009
Energy: 1.3061248101787273
Energy: 1.1759410002438773
Energy: 0.8847097475229732
Energy: 1.5708332562323306
Energy: 0.8847097478290782
Energy: 1.5708332562464826
Energy: 0.884709747500847
Energy: 1.5708332562394425

minimum gb energy = -0.08396943902096003 eV
minimum distance =  2.3047034958335 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.23404094699761893
Energy: -0.6506838865668817
Energy: 0.23404094699761893
Energy: -0.6506838865668817
Energy: 0.23404094699761893
Energy: -0.6506838865695223
Energy: 0.5678772545291702
Energy: 0.19378559536696968
Energy: 0.5678772545291702
Energy: 0.193781010677509
Energy: 0.5678772545291702
Energy: 0.1937809853568377
Energy: 1.5006922060871684
Energy: 0.4283178287153986
Energy: 1.5006922059419918
Energy: 0.4283165274062172
Energy: 1.5006922061874537
Energy: 0.428316617861578
Energy: 0.46166795597658905
Energy: 0.4070283223501601
Energy: 0.46166795597658905
Energy: 0.4070283223422381
Energy: 0.46166795597658905
Energy: 0.40702832235280084
Energy: 0.23404094699761893
Energy: -0.6506838866249763
Energy: 0.2340409470002596
Energy: -0.650683886619695
Energy: 0.2340409470002596
Energy: -0.6506838866223357
Energy: 0.5678772545265894
Energy: 0.19379508071429635
Energy: 0.5678772545291702
Energy: 0.19380074030002734
Energy: 0.5678772545291702
Energy: 0.19380109693232478
Energy: 0.9532975175349266
Energy: 0.42831900056540495
Energy: 0.9532975175349266
Energy: 0.42832049106019005
Energy: 0.9532975175375673
Energy: 0.42832041974112445

minimum gb energy = -0.6506838866249763 eV
minimum distance =  2.31573219996097 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.5893890020831523
Energy: 1.6629183535216112
Energy: 1.4678075264397397
Energy: 1.6629183535216112
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Energy: 1.7510922131333806
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Energy: 1.1180062239361774
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Energy: 1.7296905927169157
Energy: 1.5815694250783752
Energy: 1.7296905927241026
Energy: 1.581569413828533
Energy: 1.7296905927133874
Energy: 1.9728521589818069
Energy: 1.4467649319555351
Energy: 1.9728521589710264
Energy: 1.4467579288582646
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Energy: 1.446765567789011
Energy: 1.153774174715385
Energy: 1.6841761719525152
Energy: 1.153746929547608
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Energy: 1.1537810671069242
Energy: 1.684176184894107
Energy: 1.7723016857606837
Energy: 0.713673125706286
Energy: 1.7723016857642773
Energy: 0.7136731257637166
Energy: 1.7723016857642773
Energy: 0.7136731255769204
Energy: 1.4561881865624007
Energy: 1.0060058757324826
Energy: 1.4561881862714587
Energy: 1.0060058754846628
Energy: 1.4561881857614447
Energy: 1.006005875545752
Energy: 1.7971565421303735
Energy: 1.496764067673983
Energy: 1.797156542069284
Energy: 1.3649420994018517
Energy: 1.797156542105219
Energy: 1.585197569839736
Energy: 1.5245828906130066
Energy: 1.8490537394203364
Energy: 1.5245827263772882
Energy: 1.8490543080170823
Energy: 1.5245830400538072
Energy: 1.8490542673604764
Energy: 2.5090475151448164
Energy: 1.3110529870194305
Energy: 2.5090475151448164
Energy: 1.3110529870194305
Energy: 2.50904751514841
Energy: 1.3110529870158372
Energy: 1.612568721876806
Energy: 1.2746204114104873
Energy: 1.612568721952204
Energy: 1.2746204114176742
Energy: 1.6125687218803995
Energy: 1.274620411500259
Energy: 1.6927934433051532
Energy: 1.7683657001370896
Energy: 1.6927934430717073
Energy: 1.7683657004280315
Energy: 1.6927934432907792
Energy: 1.7683656996522297
Energy: 1.5560216173315602
Energy: 1.3979664533333789
Energy: 1.5560207785956388
Energy: 1.3979664532866634
Energy: 1.5560216173315602
Energy: 1.3979664533477527

minimum gb energy = 0.6951857919146831 eV
minimum distance =  2.11172381163471 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.3315133470251703
Energy: 1.2985154427396106
Energy: 0.3243489505203773
Energy: 1.298515442720376
Energy: 1.3315133470231977
Energy: 1.2985154427381311
Energy: 1.628315561331193
Energy: 1.3940303770928302
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Energy: 1.3940303770928302
Energy: 1.6283155613306997
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Energy: 1.3682809840548769
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Energy: 1.314128430816299
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Energy: 1.3684371403666487
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Energy: 1.30252929346584
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Energy: 0.9191194252594008
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Energy: 1.4975914492651865
Energy: 1.6269839124424803
Energy: 0.9114426583298607
Energy: 1.6269839124350827
Energy: 1.486805846585642
Energy: 1.9396827148980968
Energy: 1.4868058465802165
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Energy: 1.486805846583669
Energy: 1.9396827148980968
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Energy: 1.2060334560143835
Energy: 0.721730420910755
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Energy: 0.7217304234959842
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Energy: 1.358448861648415
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Energy: 1.2540995790176044
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Energy: 2.122754579394453
Energy: 1.2540996059724259
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Energy: 1.5383867677732819
Energy: 0.5536862432909629
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Energy: 0.5536862426500697
Energy: 1.5383867677742684
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Energy: 1.6077436002952155
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Energy: 1.6077440166650225
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Energy: 0.8380345208512651
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Energy: 1.2634166617788096
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Energy: 1.2421898521876216
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Energy: 1.3805211833292304
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Energy: -0.13717613613249424
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Energy: 1.5243881241889918
Energy: 1.1604987361920678
Energy: 1.5243881241880055
Energy: 1.160498927473826
Energy: 1.5243881241894852
Energy: 0.8629268974930665
Energy: 0.6660896550779786
Energy: 0.862922018840661
Energy: 0.6660896550582505
Energy: 0.8629269054473347
Energy: 0.6660896550365497
Energy: 1.3057371591917386
Energy: 0.7771484361964413
Energy: 1.305737159193218
Energy: 0.7771484361934822
Energy: 1.3057371591917386
Energy: 0.7771484361969345
Energy: 1.2008249818549803
Energy: 1.1649691597573808
Energy: 1.2008249819057801
Energy: 1.1649691597583671
Energy: 1.2008249818091574
Energy: 1.1649691597583671
Energy: 1.5222935277980885
Energy: 2.0083412373221607
Energy: 1.7486023476138983
Energy: 2.0083412373226537
Energy: 1.5222935450741841
Energy: 2.0083412373221607
Energy: 1.511510643068771
Energy: 0.7426085865782178
Energy: 1.5115106433640644
Energy: 0.7426085861641077
Energy: 1.5115106430574272
Energy: 0.7426085865427072
Energy: 0.9426814225835074
Energy: 2.715476971193852
Energy: 0.9426814225825209
Energy: 2.7154769711953315
Energy: 0.9426814225825209
Energy: 2.715476971194345
Energy: 1.5547127120451498
Energy: 1.6397979425929317
Energy: 1.554712712042684
Energy: 1.6397979425924385
Energy: 1.5547127120476159
Energy: 1.6397979425924385
Energy: 0.6630027818061428
Energy: 0.8274757748494298
Energy: 0.6630027756887372
Energy: 0.8274757748494298
Energy: 0.6630027742344196
Energy: 0.8274757748494298
Energy: 1.2557002350730502
Energy: 0.9252023874250003
Energy: 1.2557002350715705
Energy: 0.9252023874220412
Energy: 1.2557002350725568
Energy: 0.9252023874210548
Energy: 1.4532752566184175
Energy: 2.220396789330986
Energy: 1.1607406315777513
Energy: 2.2203967893373973
Energy: 1.2921793290287835
Energy: 2.220396789330986
Energy: 1.2404398349463164
Energy: 1.2140480820103654
Energy: 1.2404398349463164
Energy: 1.2140480820246682
Energy: 1.2404398349463164
Energy: 1.2140480820054333
Energy: 2.074555280742631
Energy: 2.1181618340752637
Energy: 2.0745552807264005
Energy: 2.1181618340880872
Energy: 2.074555280742631
Energy: 2.118161834075757
Energy: 1.1495946951438811
Energy: 1.2092996005496
Energy: 1.1495935478590575
Energy: 1.2092995720335258
Energy: 1.1495946951453606
Energy: 1.2092993419969147

minimum gb energy = -0.13717613613249424 eV
minimum distance =  2.22405177253741 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.1982157867253935
Energy: 1.3218084416391607
Energy: 1.1982157867193628
Energy: 1.3218084422144323
Energy: 1.1982157867253935
Energy: 1.3218084418898557
Energy: 1.4348551957585385
Energy: 1.096948788729153
Energy: 1.4348644253443739
Energy: 1.096948670863618
Energy: 1.4348591476669126
Energy: 1.0969486667713717
Energy: 3.0320356415635663
Energy: 1.4056634842399944
Energy: 3.0320356415659893
Energy: 1.405663484245447
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Energy: 1.5669770761626478
Energy: 1.7107716888515148
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Energy: 1.710771690924266
Energy: 1.5669770761608304
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Energy: 1.5688073788447905
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Energy: 1.5435549779583524
Energy: 2.2856872926316445
Energy: 1.5435549779577467
Energy: 2.2856872926310383
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Energy: 1.429029173766766
Energy: 1.2727112818130868
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Energy: 1.272711281822174
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Energy: 1.839234662577935
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Energy: 1.2832137841438107
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Energy: 1.1037352673357697
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Energy: 1.1037352700849352
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Energy: 3.0026691731791164
Energy: 1.67851807825045
Energy: 3.0026691731785107
Energy: 1.678518075348097
Energy: 1.6522830048702113
Energy: 1.3459806274251715
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Energy: 1.378849495917038
Energy: 1.5932565628058064
Energy: 2.2276516906176287
Energy: 2.0578687252710237
Energy: 2.227651690618235
Energy: 2.057868725080882
Energy: 2.2276516906188406
Energy: 2.057868725280717
Energy: 2.393751818695143
Energy: 0.901780963557111
Energy: 2.393751818695143
Energy: 0.9017808153109769
Energy: 2.3937518186945375
Energy: 0.9017809622219057
Energy: 1.8063658758364893
Energy: 1.4021401505992401
Energy: 1.806365875838307
Energy: 1.4021401489582108
Energy: 1.8063658758377013
Energy: 1.402140151311948
Energy: 1.3934347744389672
Energy: 1.1995150831957748
Energy: 1.3947359755688302
Energy: 1.1995152263807796
Energy: 0.9511256248963524
Energy: 1.1995152194860839
Energy: 1.4544602831130682
Energy: 1.562843511797261
Energy: 1.4544602831130682
Energy: 1.5628435118142237
Energy: 1.4544602831070101
Energy: 1.5628435118008959
Energy: 1.9745328956323311
Energy: 1.2102828863889976
Energy: 1.9745328956402066
Energy: 1.210282261474916
Energy: 1.9745328956335428
Energy: 1.210282048417744
Energy: 1.0806624312984632
Energy: 1.3009921596798641
Energy: 0.7230377141075435
Energy: 1.3009314445776312
Energy: 1.2069995067933517
Energy: 1.3009290086750671
Energy: 0.9836875779230271
Energy: 1.681009983028367
Energy: 0.9836875779218154
Energy: 1.681009983024732
Energy: 0.9836875779157848
Energy: 1.6810099830241263
Energy: 2.000426177669013
Energy: 1.4249739220929707
Energy: 2.0004261776696186
Energy: 1.4249739224223936
Energy: 2.0004261776696186
Energy: 1.4249739220741906
Energy: 2.433711645110984
Energy: 1.3524921027260235
Energy: 2.4337116451085605
Energy: 1.352492104255611
Energy: 2.433711645110984
Energy: 1.3524921042574287
Energy: 1.1700710619159738
Energy: 1.3109580632259672
Energy: 1.1700710618529973
Energy: 1.3109596680592157
Energy: 1.1700710619353596
Energy: 1.310980480433477
Energy: 1.7909435611842468
Energy: 1.5695897754328818
Energy: 1.7909435612018154
Energy: 1.5695897754292745
Energy: 1.7909435611842468
Energy: 1.569589775435305
Energy: 2.0365523125223275
Energy: 1.8118839945694474
Energy: 2.0365523125223275
Energy: 1.8118839945694474
Energy: 2.0365523125229337
Energy: 1.8118839945694474
Energy: 2.490748643635075
Energy: 1.2864916004586382
Energy: 2.49074864363871
Energy: 1.1476262983882703
Energy: 2.3168139233132248
Energy: 1.1476851524728287
Energy: 1.3283522387329991
Energy: 2.326448262164342
Energy: 1.328352238734211
Energy: 2.326440651988341
Energy: 1.3283522387075826
Energy: 2.3264489167790003
Energy: 1.5667759608298686
Energy: 1.257100878779875
Energy: 1.566775829262757
Energy: 1.257100878762912
Energy: 1.5667759608304743
Energy: 1.257100878779269
Energy: 1.8343256436561615
Energy: 1.8688917986067697
Energy: 1.83432564365495
Energy: 1.8688917986067697
Energy: 1.83432564365495
Energy: 1.8688917986067697
Energy: 2.6786411734120774
Energy: 1.7836403141379302
Energy: 2.678641173432675
Energy: 1.7836403141397477
Energy: 2.6786411734126836
Energy: 1.783640314136113

minimum gb energy = 0.7230377141075435 eV
minimum distance =  1.9051032236868 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.6804583106061373
Energy: 0.5975981158271574
Energy: 0.6804583106061373
Energy: 0.5975981192808809
Energy: 0.6804583105136145
Energy: 0.5975981186277657
Energy: 0.9735018349383502
Energy: 0.48137631559550575
Energy: 0.9735006239487558
Energy: 0.48137631560256533
Energy: 0.9735009348535691
Energy: 0.48137631559315264
Energy: 0.591983248393596
Energy: 0.9337102988750072
Energy: 0.5919832480909624
Energy: 0.9337102988757916
Energy: 0.5919832483104859
Energy: 0.933710298876576
Energy: 1.3398388825325025
Energy: 0.7117706145663655
Energy: 1.3398388825356402
Energy: 0.7117706145232595
Energy: 1.3398388825317182
Energy: 0.7117706145201219
Energy: 1.5163658753553106
Energy: 0.5371168810270418
Energy: 1.516365875356095
Energy: 0.5371168809478538
Energy: 1.5163658753553106
Energy: 0.5371168810983861
Energy: 1.1426483047589373
Energy: 1.5217898633581137
Energy: 1.1426483039858457
Energy: 1.5217898633588978
Energy: 1.142648303846295
Energy: 1.5217898633581137
Energy: 1.097048082499989
Energy: 0.7834013575869924
Energy: 1.0970480828676916
Energy: 0.7834013576057821
Energy: 1.0970480888852434
Energy: 0.7834013575916987
Energy: 1.03314234302572
Energy: 0.6370661470606792
Energy: 1.033142343027289
Energy: 0.6370661470559729
Energy: 1.0331423430249358
Energy: 0.6370661470661699
Energy: 0.25832535419306607
Energy: 1.0248904383214614
Energy: 0.25832535558789727
Energy: 1.0248904383230302
Energy: 0.25832534650707223
Energy: 1.0248904383214614
Energy: 0.4066765812587161
Energy: 2.164292096477857
Energy: 0.40667658123832184
Energy: 2.164292096477857
Energy: 0.40667658125479406
Energy: 2.164292096477857
Energy: 0.39514949319395326
Energy: 1.2259157043263555
Energy: 0.395149492607476
Energy: 1.2259157043318465
Energy: 0.39514949322376025
Energy: 1.2259157043357685
Energy: 1.123546599661731
Energy: 0.7968242964961013
Energy: 1.12354654684369
Energy: 0.7968242964984544
Energy: 1.123546579725817
Energy: 0.7968242964961013
Energy: 0.6180230833221564
Energy: -0.11861813345775872
Energy: 0.6180252584303405
Energy: -0.11861813345854312
Energy: 0.6180149378755395
Energy: -0.11861813345854312
Energy: 0.11069602642109028
Energy: 0.810886742190813
Energy: 0.11069602641952149
Energy: 0.810886742190813
Energy: 0.11069602642109028
Energy: 0.810886742190813
Energy: 0.8139753000526782
Energy: 0.3022058237284265
Energy: 0.8139752897957608
Energy: 0.30220582388915607
Energy: 0.8139753029136491
Energy: 0.30220582467084056
Energy: 0.9857359311872829
Energy: 0.6447372554451468
Energy: 0.9857359311872829
Energy: 0.6447372554608348
Energy: 0.9857359311864986
Energy: 0.6447372555533577
Energy: 0.8082661654417741
Energy: 1.085737440764929
Energy: 0.8082648790199106
Energy: 1.0857374407680667
Energy: 0.8082658474672156
Energy: 1.0857374407672824
Energy: 1.0025662975387495
Energy: 1.920913970277006
Energy: 1.002566297537965
Energy: 1.920913970273084
Energy: 1.0025662975387495
Energy: 1.920913970277006
Energy: 1.2095168942325782
Energy: 1.4418430060671499
Energy: 1.2095168942325782
Energy: 1.441843006077347
Energy: 1.2095168942317938
Energy: 1.4418430060679344
Energy: 0.8220991041461693
Energy: 0.8342110787942096
Energy: 0.8220991041477381
Energy: 0.834211078792641
Energy: 0.8220991041477381
Energy: 0.8342110787942096
Energy: 0.8137982403549815
Energy: 0.7272369900154524
Energy: 0.8137982403612566
Energy: 0.7272369900162368
Energy: 0.8137982403549815
Energy: 0.7272369900201586
Energy: 0.7853491061030594
Energy: 0.5096573083623228
Energy: 0.7853491060983531
Energy: 0.5096573084313138
Energy: 0.7853491060983531
Energy: 0.5096573086939788
Energy: 0.8535052998575456
Energy: 1.0960357512400263
Energy: 0.8535052998536237
Energy: 1.096035751239242
Energy: 0.8535052998575456
Energy: 1.0960357512478704
Energy: 2.0992355625760277
Energy: -0.32438218699385934
Energy: 2.0992355625768124
Energy: -0.3243821869930749
Energy: 2.0992355625775967
Energy: -0.32438218699229054

minimum gb energy = -0.32438218699385934 eV
minimum distance =  2.2323736787178 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.6672350571949943
Energy: 0.5240873986356659
Energy: 1.6672350571949943
Energy: 0.5240873956972789
Energy: 1.6672350571949943
Energy: 0.5240873930938
Energy: 1.0004972925712217
Energy: 0.900777639022323
Energy: 1.000497297425573
Energy: 0.9007776390234322
Energy: 1.0004972925346147
Energy: 0.9007776390234322
Energy: 2.0213987213099345
Energy: 1.8372492138543808
Energy: 2.0213987213121527
Energy: 1.8372492138532714
Energy: 2.0213987213099345
Energy: 1.8372492138554901
Energy: 0.9439317572607543
Energy: 0.9089734417730938
Energy: 0.9439318374542379
Energy: 0.9089734418362735
Energy: 0.9439317572895962
Energy: 0.9089734418429295
Energy: 1.1941698016224684
Energy: 0.3831369514100356
Energy: 1.1941698016235778
Energy: 0.3831369514155821
Energy: 1.1941698016235778
Energy: 0.3831369514100356
Energy: 1.8099546677085805
Energy: 1.3937559884290462
Energy: 1.8099546677063618
Energy: 1.3937559884301556
Energy: 1.8099546677096898
Energy: 1.3937559884268276
Energy: 1.9776515193109627
Energy: 1.3661417293809213
Energy: 1.9776515193120723
Energy: 1.3661417293820306
Energy: 1.9776515193109627
Energy: 1.3661417293809213
Energy: 2.0353002038957535
Energy: 0.46609960980865955
Energy: 2.0353002038946446
Energy: 0.4660996098064409
Energy: 2.035300203896863
Energy: 0.4660996098064409
Energy: 0.9472095974810455
Energy: 1.2485815368911455
Energy: 0.9472095974788268
Energy: 1.2485815368922548
Energy: 0.9472095974821548
Energy: 1.2485815368911455
Energy: 1.5026557651870909
Energy: 1.1335413448106286
Energy: 1.5026557651859815
Energy: 1.1335413448106286
Energy: 1.5026557651859815
Energy: 1.13354134515547
Energy: 0.7843562827375
Energy: 2.456711774337325
Energy: 0.7843562828328494
Energy: 2.4567117743328875
Energy: 0.7843562821387297
Energy: 2.456711774337325
Energy: 1.3326443435733444
Energy: 1.1624357420479041
Energy: 1.3326443435733444
Energy: 1.1624357420479041
Energy: 1.3326443435733444
Energy: 1.1624357420490135
Energy: 0.5285987001533125
Energy: 0.8118442139546865
Energy: 0.5285987001544217
Energy: 0.811844186597056
Energy: 0.5285987001533125
Energy: 0.8118441873454811
Energy: 1.5242047468574023
Energy: 0.890817908445673
Energy: 1.5242047468574023
Energy: 0.8908179088958978
Energy: 1.5242047468574023
Energy: 0.8908179081729363
Energy: 1.3561032755507252
Energy: 1.8082783411491579
Energy: 1.3561032756516715
Energy: 1.8082783411491579
Energy: 1.3561032756505622
Energy: 1.8082783411491579
Energy: 1.1595800678679806
Energy: 1.3327989379942182
Energy: 1.1595800678679806
Energy: 1.3327989380319345
Energy: 1.1595800678679806
Energy: 1.3327989380984926
Energy: 1.2831053792953122
Energy: 0.5904199476552137
Energy: 1.283105379287547
Energy: 0.5904199476552137
Energy: 1.283105379290875
Energy: 0.5904199476552137

minimum gb energy = 0.3831369514100356 eV
minimum distance =  2.27894940632042 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.4229553391999017
Energy: 1.8673770283828572
Energy: 1.4229553391939043
Energy: 1.8673770282659503
Energy: 1.4229553392161796
Energy: 1.8673770283935276
Energy: 1.5214420529105839
Energy: 2.0299058156600696
Energy: 1.521442052911869
Energy: 2.02990581566521
Energy: 1.5214420529110122
Energy: 2.0299058156609266
Energy: 1.1311202228489012
Energy: 1.4309130159728307
Energy: 1.13112022285704
Energy: 1.4309130163924406
Energy: 1.131120222869463
Energy: 1.430913016767539
Energy: 1.0812096499693848
Energy: 2.0204339879335493
Energy: 1.081175844089972
Energy: 2.0204339880401365
Energy: 1.0811599397442948
Energy: 2.0204339879347955
Energy: 2.23676517193575
Energy: 1.3518345548950914
Energy: 2.23676517192804
Energy: 1.351834557605481
Energy: 2.23676517184883
Energy: 1.3518345572864996
Energy: 0.5751988086197071
Energy: 2.0632099863590234
Energy: 0.5751988082009537
Energy: 2.0632099863547784
Energy: 0.575198808505799
Energy: 2.063209986358595
Energy: 1.9031570108823561
Energy: 0.8228384091389835
Energy: 1.903157010898634
Energy: 0.8228384092250475
Energy: 1.9031570108832125
Energy: 0.8228384091916343
Energy: 0.9618286342291682
Energy: 1.997366868732848
Energy: 0.961828633809558
Energy: 1.9973668687324195
Energy: 0.9618286342248844
Energy: 1.9973668687298496
Energy: 1.1748473203461123
Energy: 1.7638968602992988
Energy: 1.1748473208282646
Energy: 1.7638968603010123
Energy: 1.1748473206051997
Energy: 1.7638968603018688
Energy: 1.2726426336789016
Energy: 2.3533186214747723
Energy: 1.2726426336964647
Energy: 2.3533186214756294
Energy: 1.2726426336771879
Energy: 2.3533186214760575
Energy: 1.4323882326199984
Energy: 1.1653789095408371
Energy: 1.4323882326131443
Energy: 1.1653788779761043
Energy: 1.432388232617428
Energy: 1.1653788986795732
Energy: 0.9877891506671759
Energy: 1.250372009523534
Energy: 0.9877891506697462
Energy: 1.250372009523534
Energy: 0.9877891506684611
Energy: 1.250372009525676
Energy: 0.8196473159135268
Energy: 1.483387911992073
Energy: 0.8196474203702917
Energy: 1.4833879119916444
Energy: 0.819647204545052
Energy: 1.4833879119912161
Energy: 0.6812849537234427
Energy: 1.341067496584131
Energy: 0.6812849537705636
Energy: 1.3410675098753175
Energy: 0.6812849537966554
Energy: 1.3410674940184533
Energy: 1.4714856958231766
Energy: 1.5821717386122833
Energy: 1.471485695828317
Energy: 1.5821710076663829
Energy: 1.471485695829602
Energy: 1.5821706651283711
Energy: 0.9603315108255651
Energy: 1.600576052895704
Energy: 0.960331340062253
Energy: 1.600576052895704
Energy: 0.9603307396502448
Energy: 1.6005760528961326
Energy: 1.4596526736741462
Energy: 0.9372402677786611
Energy: 1.4596526734883104
Energy: 0.937240268214978
Energy: 1.4596526735264355
Energy: 0.9372402685447079
Energy: 0.9253543102187446
Energy: 0.9746189516887028
Energy: 0.9253543102770032
Energy: 0.6606324728283817
Energy: 0.9253543101995069
Energy: 0.9746189635437906
Energy: 1.4019145398996542
Energy: 1.8212922829697782
Energy: 1.4019145398949422
Energy: 1.8212922829796308
Energy: 1.4019145398949422
Energy: 1.8212922830922535
Energy: 1.3936288347783625
Energy: 0.3744030672247482
Energy: 1.3936288347727936
Energy: 0.3744030672932488
Energy: 1.3936288347783625
Energy: 0.4279006769681927
Energy: 1.4036137693825268
Energy: 2.2151675975178877
Energy: 1.4036137693846298
Energy: 2.215167597407017
Energy: 1.4036137693854867
Energy: 2.2151675974545277
Energy: 1.1019230731925782
Energy: 1.4908150362748605
Energy: 1.1019230731934349
Energy: 1.490821033155604
Energy: 1.1019230731921499
Energy: 1.490815036098449
Energy: 1.1600140634700584
Energy: 1.0313867301847137
Energy: 1.1600140635462697
Energy: 1.031386730190711
Energy: 1.1600140633060696
Energy: 1.031386730182572
Energy: 1.2159255180084891
Energy: 1.0959538963266948
Energy: 1.2159255180093458
Energy: 1.0957539516771388
Energy: 1.2159255180089175
Energy: 1.0959589747537353
Energy: 1.4719620854604878
Energy: 1.784356754634271
Energy: 1.4719620854407829
Energy: 1.7843567546338424
Energy: 1.4719620854433528
Energy: 1.7843567546351278
Energy: 1.3221986450567178
Energy: 1.3646680529632904
Energy: 1.0471905158089785
Energy: 1.3646680529632904
Energy: 1.3224313349463632
Energy: 1.3646680529637187
Energy: 1.3285836646918845
Energy: 1.1301622841925374
Energy: 1.328583664699595
Energy: 1.130162410666823
Energy: 1.3285836646965965
Energy: 1.1301623023992575
Energy: 0.9330937167800482
Energy: 1.7127257885230658
Energy: 0.933093716731642
Energy: 1.7127257885234943
Energy: 0.9330937167813332
Energy: 1.7127257885239227
Energy: 1.367435747737569
Energy: 1.3284989497330606
Energy: 1.3674357477405674
Energy: 1.3285038604449695
Energy: 1.3674357477358552
Energy: 1.328507486093636
Energy: 1.5839946768321138
Energy: 1.8129994016984883
Energy: 1.5839946768342557
Energy: 1.8129994019553948
Energy: 1.5839946768325424
Energy: 1.8129994019969082
Energy: 2.374549929779999
Energy: 1.1876486725237887
Energy: 2.3745499297757147
Energy: 1.1876486461666225
Energy: 2.3745499297752866
Energy: 1.187648651742395
Energy: 1.527811716829031
Energy: 1.998242437631914
Energy: 1.5278117168294592
Energy: 1.998242437631057
Energy: 1.5278117168264609
Energy: 1.998242437631914
Energy: 1.911139263913734
Energy: 1.1833494227143544
Energy: 1.9111392639090214
Energy: 1.1833494998924854
Energy: 1.911139263909878
Energy: 1.183349498312921
Energy: 0.7207573050783509
Energy: 1.4727517188696002
Energy: 0.7207573054183617
Energy: 1.4727600637925236
Energy: 0.7207572987592747
Energy: 1.4727598924747023
Energy: 1.223852483842866
Energy: 1.070320610527295
Energy: 1.22386063486523
Energy: 1.0702170063666157
Energy: 1.223872756785947
Energy: 1.0703154596047395
Energy: 1.4749823708029328
Energy: 2.124762873465052
Energy: 1.4749823707836562
Energy: 2.124762873465909
Energy: 1.4749823707909386
Energy: 2.124762873466765
Energy: 1.4947904674346133
Energy: 0.9633767866730661
Energy: 1.4947904674380406
Energy: 0.9633767866537893
Energy: 1.4947904674324717
Energy: 0.9633767866700674
Energy: 1.2499783695977924
Energy: 2.0290544499769294
Energy: 1.2499783695990776
Energy: 2.0290544499769294
Energy: 1.2499783696050748
Energy: 2.029054449974359
Energy: 1.4229553391514955
Energy: 1.86737702693344
Energy: 1.4229553391553509
Energy: 1.867377027008366
Energy: 1.4229553391600627
Energy: 1.867377026961284
Energy: 1.52144206830761
Energy: 2.0299058157020498
Energy: 1.521442068308895
Energy: 2.0299058157033354
Energy: 1.5214420683080383
Energy: 2.0299058156964813
Energy: 1.1311202228471875
Energy: 1.4309130173931184
Energy: 1.131120222856612
Energy: 1.430913016313659
Energy: 1.1311202228548982
Energy: 1.4309130160306607
Energy: 1.0673369414626512
Energy: 1.854907466104581
Energy: 1.0673699582652971
Energy: 1.854907473416663
Energy: 1.0673877107017027
Energy: 1.8549075110149038
Energy: 2.236765171863823
Energy: 1.3518345394715452
Energy: 2.236765171865536
Energy: 1.3518345413598105
Energy: 2.23676517189338
Energy: 1.3518345406888628

minimum gb energy = 0.3744030672247482 eV
minimum distance =  2.12411102782204 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.214356743670918
Energy: 1.5354262102968375
Energy: 1.2143575673312708
Energy: 1.53542621029614
Energy: 1.2143567435663574
Energy: 1.5354262102975351
Energy: 1.00636440514984
Energy: 1.4542321873976094
Energy: 1.0063643698047815
Energy: 1.4542321878514235
Energy: 1.0063644014108355
Energy: 1.454232187380172
Energy: 1.089943147035304
Energy: 1.1994210086002937
Energy: 1.0899431439098397
Energy: 1.1994210086330759
Energy: 1.0899431432907198
Energy: 1.1994210086128487
Energy: 0.9370612555642892
Energy: 1.1467921257144205
Energy: 0.937061255572659
Energy: 1.1467921144632938
Energy: 0.9370613960124818
Energy: 1.14679212544392
Energy: 1.4479480309719617
Energy: 2.104282806758976
Energy: 1.4479480308750736
Energy: 2.104282806759674
Energy: 1.4479480309726591
Energy: 2.104282806759674
Energy: 0.29470990371112943
Energy: 1.8677130746588417
Energy: 0.2947099037494915
Energy: 1.867713074663724
Energy: 0.294709903706247
Energy: 1.8677130746595392
Energy: 1.2991773447293824
Energy: 0.8783036376244779
Energy: 1.299177424628621
Energy: 0.8783036376091332
Energy: 1.2991773447782071
Energy: 0.8783036376244779
Energy: 0.8111043773218293
Energy: 1.128202008186314
Energy: 0.8111043773197367
Energy: 1.1280803638988721
Energy: 0.8111043773218293
Energy: 1.1282038003007182
Energy: 1.0702429087426946
Energy: 2.034131972429642
Energy: 1.070242908807498
Energy: 2.0341319724289444
Energy: 1.0702429087433287
Energy: 2.0341319724289444
Energy: 2.04260628668694
Energy: 1.0395120144253782
Energy: 2.042606286682755
Energy: 1.0395120143619063
Energy: 2.0426062866799652
Energy: 1.0395120143898062
Energy: 1.3235510483155515
Energy: 1.8301514044552858
Energy: 1.323551215145832
Energy: 1.8301514044552858
Energy: 1.3235510518028877
Energy: 1.8301514044552858
Energy: 1.0542300457075409
Energy: 1.2927572104450282
Energy: 1.0542300458365135
Energy: 1.292757210666704
Energy: 1.054230045706146
Energy: 1.2927572104422382
Energy: 1.601358397305779
Energy: 1.6702766410786445
Energy: 1.601358397254228
Energy: 1.670276641079342
Energy: 1.6013583972932874
Energy: 1.670276641079342
Energy: 1.2414056178514465
Energy: 1.5490028243182974
Energy: 1.241405617850749
Energy: 1.5490028086079735
Energy: 1.2414056178570265
Energy: 1.5490026334323836
Energy: 1.082508939066391
Energy: 1.6052284985965868
Energy: 1.0825089408623076
Energy: 1.605228498579847
Energy: 1.0825089409438509
Energy: 1.6052284985875194
Energy: 1.5349783228848788
Energy: 0.8914447891321493
Energy: 1.534978322798453
Energy: 0.8914447890889681
Energy: 1.534978323061281
Energy: 0.8914447889697604
Energy: 0.956840005592837
Energy: 2.7139002815995714
Energy: 0.9568400054171322
Energy: 2.7139002815995714
Energy: 0.9568400055984168
Energy: 2.7139002815995714
Energy: 1.7527941275318222
Energy: 1.2872940206897112
Energy: 1.7527941275374022
Energy: 1.3317616166100008
Energy: 1.7527941275367047
Energy: 1.3317165901601353
Energy: 1.3329746831629437
Energy: 1.2342338415425298
Energy: 1.3329746831517837
Energy: 1.2342305356138485
Energy: 1.3329746831615485
Energy: 1.2342336395149325
Energy: 1.4852813692364797
Energy: 1.1834230188446566
Energy: 1.4852813692350846
Energy: 1.183423018874649
Energy: 1.4852813692364797
Energy: 1.1834230188613968
Energy: 0.9881078407256283
Energy: 1.8477870308606283
Energy: 0.9881078578826152
Energy: 1.8477870308620232
Energy: 0.9881078407423681
Energy: 1.847787030862721
Energy: 0.8257475182929391
Energy: 1.4884043975462888
Energy: 0.8278474409673093
Energy: 1.4884043975511714
Energy: 0.8230902430911314
Energy: 1.488404397550474
Energy: 1.6499407445088436
Energy: 0.8988863151120681
Energy: 1.649940619697104
Energy: 0.8988863151099755
Energy: 1.649940701075788
Energy: 0.8988863151099755
Energy: 1.133686346233641
Energy: 1.4489319962730611
Energy: 1.1336863462343385
Energy: 1.4489319955765831
Energy: 1.1336863462329434
Energy: 1.4489319981450046
Energy: 1.2239236869874655
Energy: 2.9679418190911626
Energy: 1.2239236870035077
Energy: 2.9679418190904654
Energy: 1.2239236869867678
Energy: 2.9679418190904654
Energy: 1.0879030085654373
Energy: 1.0499932584160179
Energy: 1.0879030471538362
Energy: 1.0499932463547852
Energy: 1.0879030263610106
Energy: 1.049993258289835
Energy: 1.551181568005839
Energy: 1.384385188936234
Energy: 1.551181565196212
Energy: 1.3843852140899104
Energy: 1.5511815671887579
Energy: 1.3843852017532317

minimum gb energy = 0.294709903706247 eV
minimum distance =  2.21886088631035 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.54453810401459
Energy: 1.539969634040652
Energy: 1.54453810642538
Energy: 1.5399696340457338
Energy: 1.5445381037671908
Energy: 1.5399696340396356
Energy: 1.4569710143085608
Energy: 1.766177579892487
Energy: 1.4569710069155548
Energy: 1.7661775798919788
Energy: 1.4569710083409064
Energy: 1.7661775798919788
Energy: 1.5404194085058496
Energy: 1.038406839034244
Energy: 1.5404194085048333
Energy: 1.0384067690089778
Energy: 1.5404194085058496
Energy: 1.0384068382347127
Energy: 1.4444915389465849
Energy: 1.193718182006689
Energy: 1.4444915389450603
Energy: 1.1937181820071974
Energy: 1.4444915389440438
Energy: 1.1937181820071974
Energy: 1.4968552315551529
Energy: 1.4411895779103991
Energy: 1.4968552350068207
Energy: 1.4411895779103991
Energy: 1.496855234986493
Energy: 1.4411895779088744
Energy: 1.6680236725797875
Energy: 1.8340607524475452
Energy: 1.6680236725833448
Energy: 1.8340607524475452
Energy: 1.668023672585886
Energy: 1.8340607524480532
Energy: 0.8597112275722848
Energy: 1.4000468156131727
Energy: 1.0527676434368776
Energy: 1.400046815613681
Energy: 1.0527620900617765
Energy: 1.400046815626894
Energy: 1.8558852819888156
Energy: 1.3615781029268201
Energy: 1.8558852819781435
Energy: 1.361578102923771
Energy: 1.855885281987291
Energy: 1.361578102931394
Energy: 1.063650174562606
Energy: 1.7351029008815047
Energy: 1.0636502047528276
Energy: 1.7351028991482784
Energy: 1.0636501892805197
Energy: 1.7351029008789638
Energy: 2.038850047237863
Energy: 0.9125486139525797
Energy: 2.038850047262257
Energy: 0.8050889364250388
Energy: 2.0388500472541256
Energy: 0.8050541144123269
Energy: 1.9581248211050386
Energy: 1.4024834318923909
Energy: 1.9581246349582087
Energy: 1.4024834319411774
Energy: 1.9581248210496454
Energy: 1.402483431859358
Energy: 1.173968796289065
Energy: 1.3349572447388156
Energy: 1.1739687964414316
Energy: 1.3349572441511097
Energy: 1.1739687964434642
Energy: 1.334957244830753
Energy: 1.9133639114093157
Energy: 1.2823012595116927
Energy: 1.913363911415414
Energy: 1.2823097199150508
Energy: 1.9133639114169383
Energy: 0.9954667788485031
Energy: 2.123919152261347
Energy: 1.3982711492632225
Energy: 2.123919152261347
Energy: 1.3982711492637308
Energy: 2.1239191522628715
Energy: 1.3982711492637308
Energy: 1.1441468421806413
Energy: 1.4693387953722292
Energy: 1.1441468752698445
Energy: 1.4693387953778194
Energy: 1.144146859598416
Energy: 1.469338795405724
Energy: 1.5774230725047158
Energy: 1.4658240195734273
Energy: 1.5774230740261164
Energy: 1.465824019572411
Energy: 1.5774230696941602
Energy: 1.465824019572919
Energy: 1.2324164593881761
Energy: 1.5748602253908603
Energy: 1.2324166350641799
Energy: 1.57486022556203
Energy: 1.2324166313041753
Energy: 1.5748602254309618
Energy: 2.118992247117226
Energy: 1.020376570505079
Energy: 2.1189922471162097
Energy: 1.0203765996666654
Energy: 2.1189922471167173
Energy: 1.020376617344036
Energy: 1.2435576073409236
Energy: 1.360178753029313
Energy: 1.2435576883286728
Energy: 1.3601787530277882
Energy: 1.243557609555134
Energy: 1.3601787530277882
Energy: 1.3553069595074914
Energy: 1.7690882282630733
Energy: 1.3553069813532712
Energy: 1.7690882275783484
Energy: 1.3553069607184762
Energy: 1.7690882271094683
Energy: 1.3288519999160424
Energy: 1.2182129508894193
Energy: 1.3288516018409
Energy: 1.2182129552853618
Energy: 1.328851436399966
Energy: 1.2182129502046481
Energy: 1.3112801067045299
Energy: 1.5802121033980268
Energy: 1.3112801067085955
Energy: 1.580212103370584
Energy: 1.3112801066923332
Energy: 1.5802121033736332
Energy: 1.3208476140627532
Energy: 2.230301588532092
Energy: 1.3208476140764747
Energy: 2.2303015885275177
Energy: 1.3208476140866385
Energy: 2.230301588528026
Energy: 1.2926320553285378
Energy: 1.7398514124377018
Energy: 1.2926320556582183
Energy: 1.7398514124392266
Energy: 1.2926320547393073
Energy: 1.7398514124377018
Energy: 1.3058868786263684
Energy: 1.9797601456736578
Energy: 1.3058868789926392
Energy: 1.9797601450996274
Energy: 1.3058868786644833
Energy: 1.9797601456736578
Energy: 1.4299707903984906
Energy: 1.5561166254522272
Energy: 1.429970790389343
Energy: 1.5561166254522272
Energy: 1.4299707904015397
Energy: 1.5561166254527354
Energy: 1.0951996832720547
Energy: 1.6136009680742116
Energy: 1.0952031648057594
Energy: 1.6136009680737036
Energy: 1.0952107228569337
Energy: 1.6136009680742116
Energy: 1.2825629099156544
Energy: 1.846345454999893
Energy: 1.2825629086015518
Energy: 1.846345454999893
Energy: 1.282562908594437
Energy: 1.8463454549749914
Energy: 1.2619303522681062
Energy: 1.3897780204051808
Energy: 1.2619300373208193
Energy: 1.3897780204128038
Energy: 1.2620097961272496
Energy: 1.3897780204036565
Energy: 1.0590113967233878
Energy: 1.903008308050245
Energy: 1.0590113966984864
Energy: 1.9030083080492284
Energy: 1.0590113967335515
Energy: 1.903008308050245
Energy: 0.9079141612951611
Energy: 1.7710148135362196
Energy: 1.3781384066703979
Energy: 1.7710148135006456
Energy: 1.1675102686747716
Energy: 1.7710148135367276
Energy: 1.4725956842756507
Energy: 1.5523599937326813
Energy: 1.4725956842492245
Energy: 1.552359993732173
Energy: 1.4725956842807326
Energy: 1.552359993732173
Energy: 1.0060555406766527
Energy: 1.9984926809615167
Energy: 1.006053762759625
Energy: 1.9984926809371697
Energy: 1.0060555455623117
Energy: 1.9984926809818446
Energy: 1.4116252824002316
Energy: 1.68819355490281
Energy: 1.4116252823854942
Energy: 1.68819355490281
Energy: 1.4116252824007398
Energy: 1.6881935548977276
Energy: 1.6435880585672595
Energy: 1.7508253779851342
Energy: 1.1918706053980688
Energy: 1.7508253779825933
Energy: 1.6435880585672595
Energy: 1.750825377987167
Energy: 2.300761905327579
Energy: 1.7063534287238584
Energy: 2.300761905327071
Energy: 1.7063534287238584
Energy: 2.300761905327071
Energy: 1.7063534287238584

minimum gb energy = 0.8050541144123269 eV
minimum distance =  1.97259604330063 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.07056484322159688
Energy: -2.8026630985411027
Energy: 0.07056484322346412
Energy: -2.8026630985411027
Energy: 0.07056484322346412
Energy: -2.8026630985411027
Energy: 0.5734591324035258
Energy: -2.8624403491958783
Energy: 0.5734591324016585
Energy: -2.8624403491958783
Energy: 0.5734591324016585
Energy: -2.8624403491958783
Energy: 0.5734583210651918
Energy: -2.37942438982109
Energy: 0.5734583210651918
Energy: -2.379424389815488
Energy: 0.5734583210633245
Energy: -2.379424389819222
Energy: 0.07056484322346412
Energy: -2.80266309854297
Energy: 0.07056484322159688
Energy: -2.8026630985411027
Energy: 0.07056484322346412
Energy: -2.802663098539236
Energy: 0.5734591324016585
Energy: -2.8624403491958783
Energy: 0.5734591324035258
Energy: -2.8624403491958783
Energy: 0.5734591324035258
Energy: -2.8624403491958783
Energy: 0.5734583210633245
Energy: -2.3794243898136207
Energy: 0.5734583210633245
Energy: -2.3794243898061516
Energy: 0.5734583210614573
Energy: -2.379424389809887
Energy: 0.07056484322159688
Energy: -2.8026630985411027
Energy: 0.07056484322159688
Energy: -2.802663098539236
Energy: 0.07056484322346412
Energy: -2.802663098539236
Energy: 0.5734591324035258
Energy: -2.8624403491958783
Energy: 0.5734591324016585
Energy: -2.862440349194011
Energy: 0.5734591324035258
Energy: -2.8624403491958783
Energy: 0.5734583210633245
Energy: -2.3794243898061516
Energy: 0.5734583210633245
Energy: -2.3794243898117533
Energy: 0.5734583210633245
Energy: -2.379424389809887
Energy: 0.07056484322346412
Energy: -2.8026630985411027
Energy: 0.07056484322346412
Energy: -2.802663098539236
Energy: 0.07056484322346412
Energy: -2.802663098539236

minimum gb energy = -2.8624403491958783 eV
minimum distance =  2.40811713971962 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.5659144206618343
Energy: 1.3558062182011819
Energy: 1.5659144210125922
Energy: 1.3558062181950858
Energy: 1.565914420660158
Energy: 1.3558062182000643
Energy: 1.5260979846832123
Energy: 1.9829895073368622
Energy: 1.5260979847027694
Energy: 1.9829895073458026
Energy: 1.5260979846832123
Energy: 1.9829895073290393
Energy: 1.3003794242057034
Energy: 1.5073226939682438
Energy: 1.3003794242057034
Energy: 1.5073226877043326
Energy: 1.3003794242057034
Energy: 1.5073226939682438
Energy: 1.7653863821463622
Energy: 1.714447958149718
Energy: 1.765386382209504
Energy: 1.7144479581502767
Energy: 1.7653863821491562
Energy: 1.714447958149718
Energy: 1.185423718268642
Energy: 1.51104904272517
Energy: 1.1854237182854053
Energy: 1.5110490427318752
Energy: 1.1854237182719947
Energy: 1.5110490427341103
Energy: 1.8089935500144891
Energy: 1.576981619920837
Energy: 1.8089935516068436
Energy: 1.5769816199543634
Energy: 1.8089935500139303
Energy: 1.5769816199107791
Energy: 1.3742808963746502
Energy: 1.6970915397402104
Energy: 1.3742808963735327
Energy: 1.6970915397402104
Energy: 1.374280896370739
Energy: 1.6970915398211819
Energy: 1.6915814606600355
Energy: 1.4535832592214961
Energy: 1.6915814606879744
Energy: 1.5039030716442146
Energy: 1.691581460693562
Energy: 1.3862194592953458
Energy: 2.0434099967362096
Energy: 2.1639481288456985
Energy: 2.043409996734533
Energy: 2.163948128842346
Energy: 2.043409996735092
Energy: 2.163948128843463
Energy: 1.2764781555672198
Energy: 2.6244162640399327
Energy: 1.2764781557889517
Energy: 2.624416264051108
Energy: 1.2764781555767188
Energy: 2.6244162640404918
Energy: 1.033489849321177
Energy: 1.5458623248704688
Energy: 1.0334898493217362
Energy: 1.5471041511001564
Energy: 1.0334898493228537
Energy: 1.5388296636714667
Energy: 0.7153414671376347
Energy: 1.4981253250953257
Energy: 0.7153414671683673
Energy: 1.498125326929528
Energy: 0.7153414671208715
Energy: 1.4981253224216924
Energy: 1.956173880581505
Energy: 0.8502776765791764
Energy: 1.9561738805781523
Energy: 0.8502776765791764
Energy: 1.9561738805781523
Energy: 0.850277676580294
Energy: 0.9985598431485871
Energy: 2.0716823116772454
Energy: 0.9985598431474696
Energy: 2.0716823116778045
Energy: 0.9985598431603213
Energy: 2.071682311673893
Energy: 1.4173935118245464
Energy: 2.1984778378319434
Energy: 1.4173935118245464
Energy: 2.198477837833061
Energy: 1.4173935118245464
Energy: 2.198477837832502
Energy: 1.503536938051207
Energy: 0.729857153763199
Energy: 1.503536938087527
Energy: 1.1410588916240383
Energy: 1.503536938098144
Energy: 0.9536946318871757
Energy: 0.9061938095758699
Energy: 1.1237501473152471
Energy: 0.9061938095803402
Energy: 1.1237501414060562
Energy: 0.9061938095797814
Energy: 1.1237501412541204
Energy: 1.2108260650687208
Energy: 1.9748937170070036
Energy: 1.2108260650681621
Energy: 1.9748937170075622
Energy: 1.2108260650681621
Energy: 1.974893717010915
Energy: 0.8364836022738564
Energy: 2.090133999727952
Energy: 0.8364836891660584
Energy: 2.090133999727952
Energy: 0.8364834986332065
Energy: 2.090133999728511
Energy: 1.3619052732064638
Energy: 1.6637363953901896
Energy: 1.3619052722173317
Energy: 1.6637363953907485
Energy: 1.361905273211493
Energy: 1.6637363953913071
Energy: 1.304346742918526
Energy: 1.8892555695045572
Energy: 1.3043467429196436
Energy: 1.8892555695045572
Energy: 1.3043467429603832
Energy: 1.8892555695051159
Energy: 1.2333835517721823
Energy: 1.5841320099263412
Energy: 1.2333835517688294
Energy: 1.5841320099274587
Energy: 1.233383551769947
Energy: 1.584132009924665
Energy: 1.5017936540876036
Energy: 1.332743014471126
Energy: 1.5017936540903976
Energy: 1.3327430476090345
Energy: 1.5017936540110517
Energy: 1.3327429983587666
Energy: 1.653855522686839
Energy: 1.1984195290947577
Energy: 1.6538555227030434
Energy: 1.198419535987544
Energy: 1.6538555227013672
Energy: 1.1984195498591166
Energy: 1.18102103162938
Energy: 1.0432350815102172
Energy: 1.1810210316411145
Energy: 1.0432350845033682
Energy: 1.1810210316427907
Energy: 1.0432350828238957
Energy: 1.4322338505388397
Energy: 1.4884182852940309
Energy: 1.4322338504952552
Energy: 1.4884182920449391
Energy: 1.432233850510342
Energy: 1.4884185531765908
Energy: 1.2678705439131186
Energy: 1.2712340965473614
Energy: 1.2678705439125595
Energy: 1.271234096796981
Energy: 1.2678705439125595
Energy: 1.2712340966495663
Energy: 1.5900507064941511
Energy: 2.5033671100683565
Energy: 1.5900507064036806
Energy: 2.503367110091774
Energy: 1.5900507064958278
Energy: 2.5033671100789223
Energy: 1.1704739293776272
Energy: 1.480671189945664
Energy: 1.1704739284833854
Energy: 1.480671189220121
Energy: 1.1704739288799628
Energy: 1.4806711892743218
Energy: 1.2389891907870476
Energy: 1.319297775130427
Energy: 1.238988867817568
Energy: 1.3192977748584054
Energy: 1.2389891964700366
Energy: 1.3192977751443962
Energy: 1.4138649556231482
Energy: 1.9532964050860087
Energy: 1.4138649556376761
Energy: 1.953296405087685
Energy: 1.413864955618119
Energy: 1.9532964050860087
Energy: 1.571357359070257
Energy: 1.4874975069441005
Energy: 1.5713573590641103
Energy: 1.4874970940351178
Energy: 1.571357359070257
Energy: 1.487497509859023
Energy: 1.5598986553756853
Energy: 1.755958118843402
Energy: 1.5598986559643795
Energy: 1.7559581188271975
Energy: 1.5598986553756853
Energy: 1.7559581189634876

minimum gb energy = 0.7153414671208715 eV
minimum distance =  1.88259097965808 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.6784423899480818
Energy: 0.6166340907848781
Energy: 0.6784424056101581
Energy: 0.6164837044354023
Energy: 0.6784423987333178
Energy: 0.6165996486934525
Energy: 1.38097617029462
Energy: 1.13380322837547
Energy: 1.380976173585419
Energy: 1.1338032279091197
Energy: 1.380976170291435
Energy: 1.1338032717430142
Energy: 3.280337736097283
Energy: 1.5551693527228454
Energy: 3.280337736097283
Energy: 1.5551693527132915
Energy: 3.2803377360956905
Energy: 1.5551693527029407
Energy: 1.348555814741589
Energy: 1.063513277477841
Energy: 1.348555814741589
Energy: 1.0635132774929688
Energy: 1.348555814742385
Energy: 1.063513277493765
Energy: 1.3953522604321074
Energy: 1.7915237468655738
Energy: 1.3953522603899091
Energy: 1.7915237468361873
Energy: 1.3953522604321074
Energy: 1.7915237468767204
Energy: 0.9939311354756774
Energy: 2.1300332837404388
Energy: 0.9939311354502715
Energy: 2.1300332837149605
Energy: 0.9939311354462907
Energy: 2.1300332837833604
Energy: 1.3896521417804288
Energy: 1.0628095678984462
Energy: 1.389652141770947
Energy: 1.0628095677989948
Energy: 1.3896521417828176
Energy: 1.0628095679947853
Energy: 1.0041064067914285
Energy: 1.5226237310788537
Energy: 1.0041057661515318
Energy: 1.5226237310756692
Energy: 1.0041064073795236
Energy: 1.5226237310740767
Energy: 1.3513979845285553
Energy: 2.4130512565056144
Energy: 1.3513979845277593
Energy: 2.4130512565048186
Energy: 1.3513979845285553
Energy: 2.4130512565056144
Energy: 2.0966067688962746
Energy: 2.0318402587583284
Energy: 2.0966067689305112
Energy: 2.0318402587909725
Energy: 2.0966067688954784
Energy: 2.0318402587917683
Energy: 1.0285761568413134
Energy: 1.6313916480512756
Energy: 1.028576230032047
Energy: 1.6313916479700639
Energy: 1.0285762302111174
Energy: 1.631391647966083
Energy: 1.9117428798276805
Energy: 1.687779833017222
Energy: 1.911742879826088
Energy: 1.687779833013241
Energy: 1.911742879824496
Energy: 1.6877798330148333
Energy: 0.8353365160647105
Energy: 1.1812712810554777
Energy: 0.8490849488249065
Energy: 1.1812712810554777
Energy: 0.849085566667993
Energy: 1.1812712810562738
Energy: 1.5868816439404174
Energy: 1.2899727768809928
Energy: 1.5868816439396216
Energy: 1.2899727768801965
Energy: 1.5868816439404174
Energy: 1.289972776883381
Energy: 1.453497140650856
Energy: 1.4815683856951123
Energy: 1.4534971406978312
Energy: 1.4815683856720228
Energy: 1.4534971406564292
Energy: 1.4815683856967048
Energy: 1.9486905312425784
Energy: 1.8177011929955673
Energy: 1.9486905312409857
Energy: 1.8177011930114184
Energy: 1.948690531241782
Energy: 1.8177011929939746
Energy: 0.9032326718727418
Energy: 1.2255890025341836
Energy: 0.9032326718990161
Energy: 1.2255890074524682
Energy: 0.9032326718663723
Energy: 1.2255889941603608
Energy: 1.261287439345889
Energy: 1.320657479027425
Energy: 1.2612874970026602
Energy: 1.3206574789923926
Energy: 1.2612873728170968
Energy: 1.3206574789852994
Energy: 1.4741498064399052
Energy: 2.26187328189813
Energy: 1.4741498064375167
Energy: 2.26187328189813
Energy: 1.4741498064399052
Energy: 2.26187328189813
Energy: 1.9853666191510049
Energy: 1.7376396443167794
Energy: 1.9853666191502086
Energy: 1.7376396443175752
Energy: 1.9853666191486163
Energy: 1.737639644319964
Energy: 1.8637202497753829
Energy: 0.8811394850347534
Energy: 1.8637202497921028
Energy: 0.8811394837598354
Energy: 1.8637202498015848
Energy: 0.8811394819325788
Energy: 2.0443779818443564
Energy: 2.279262693670964
Energy: 2.0443779818332097
Energy: 2.2792626937266975
Energy: 2.044377981842764
Energy: 2.279262693689277
Energy: 0.9974654440760631
Energy: 1.1660865280571318
Energy: 0.9974654441652365
Energy: 1.1660865280053792
Energy: 0.9974654440864136
Energy: 1.1660865280571318

minimum gb energy = 0.6164837044354023 eV
minimum distance =  2.25176531683433 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.3044778798140841
Energy: 0.9920461359827877
Energy: 1.2238142911770895
Energy: 0.9920440757273384
Energy: 1.3044778798150942
Energy: 0.9920461503325173
Energy: 1.5050079146902933
Energy: 0.7810780370438647
Energy: 1.5050079203593991
Energy: 0.781078057725605
Energy: 1.5050079146897881
Energy: 0.7810780554607452
Energy: 1.703439279948198
Energy: 1.5397854409925884
Energy: 1.7034392799497131
Energy: 1.5397854409719258
Energy: 1.7034392799522386
Energy: 1.5397854409855172
Energy: 1.1964404087523337
Energy: 0.9982555301858177
Energy: 1.3645370600527358
Energy: 0.9982553885377415
Energy: 1.196438786071753
Energy: 0.9982554524327778
Energy: 1.7368885900758908
Energy: 1.2721239185184852
Energy: 1.736888590076901
Energy: 1.272113888845158
Energy: 1.736888590076901
Energy: 1.272113892368054
Energy: 1.312519287440149
Energy: 1.455116996351821
Energy: 1.3125191829510185
Energy: 1.4551169963532902
Energy: 1.3125192816892186
Energy: 1.455116996352831
Energy: 2.01889314607171
Energy: 1.1865859494459166
Energy: 2.0188931460742356
Energy: 1.1865859494464215
Energy: 2.018893146075246
Energy: 1.1865859494489468
Energy: 1.0634780921501215
Energy: 1.1416392401961881
Energy: 1.0634771801276854
Energy: 1.1416392402032594
Energy: 1.0634773002519022
Energy: 1.1416392402052795
Energy: 1.8927437242865317
Energy: 1.6639339155800852
Energy: 1.8927437242870366
Energy: 1.6639339156780262
Energy: 1.8927437242880467
Energy: 1.663933915695704
Energy: 1.6901306384544226
Energy: 1.477667464811422
Energy: 1.6901306384569483
Energy: 1.319781807236969
Energy: 1.6901306384544226
Energy: 0.5864702215271723
Energy: 2.1049465586655915
Energy: 1.505147837774181
Energy: 2.104946558665086
Energy: 1.5051478377792318
Energy: 2.1049465586620557
Energy: 1.505147837779737
Energy: 1.176960467337452
Energy: 1.277850450130643
Energy: 1.1769609459567236
Energy: 1.2778504483449733
Energy: 1.1769607867459624
Energy: 1.2778504501119545
Energy: 1.0137603292511381
Energy: 1.0766078112379383
Energy: 1.0137603292516433
Energy: 1.076607811232382
Energy: 1.0137603292511381
Energy: 1.0766078112328872
Energy: 1.8610124385536488
Energy: 1.3239271568710376
Energy: 1.8610124385551639
Energy: 1.3239271588621855
Energy: 1.8610124385551639
Energy: 1.3239271569220055
Energy: 1.3995239484591486
Energy: 1.3921319572996393
Energy: 1.399523948461674
Energy: 1.3921319573011546
Energy: 1.3995239484591486
Energy: 1.3921319573001445
Energy: 1.0851569513820445
Energy: 1.1655188157506704
Energy: 1.085067922516586
Energy: 1.1655188145455768
Energy: 1.0850395775337245
Energy: 1.1655188149272395
Energy: 1.517016512261742
Energy: 1.0570559424866188
Energy: 1.5170165122637624
Energy: 1.0570561444199145
Energy: 1.5170165122632573
Energy: 1.0570559425305155
Energy: 1.704704006419391
Energy: 1.3419834797314671
Energy: 1.7047040065364791
Energy: 1.341983478828278
Energy: 1.7047040064017125
Energy: 1.341983479306872
Energy: 1.8127077198971289
Energy: 1.3036995605493282
Energy: 1.8127077198981392
Energy: 1.3036995605462975
Energy: 1.812707719898644
Energy: 1.3036995605523585
Energy: 1.5886353571800955
Energy: 1.723467082946133
Energy: 1.5886353583296753
Energy: 1.7234670827502507
Energy: 1.5886353583452875
Energy: 1.723467081911667
Energy: 1.6022434151838256
Energy: 1.2869630908272642
Energy: 1.601140204638144
Energy: 1.2869630907793268
Energy: 1.6022434151838256
Energy: 1.2869630908287795
Energy: 1.6630504439701144
Energy: 0.9684849149770786
Energy: 1.663050443917126
Energy: 0.9684849889431074
Energy: 1.66305044394385
Energy: 0.9684849372107702
Energy: 1.8421786906033906
Energy: 1.5393563593727446
Energy: 1.7878794206685695
Energy: 1.53935646204737
Energy: 1.8421786906028854
Energy: 1.5393562866416097
Energy: 1.1879670159202578
Energy: 1.813709280541126
Energy: 1.0927583578138353
Energy: 1.8137092802503332
Energy: 1.1879670159242985
Energy: 1.8137092806158328
Energy: 1.521806638335968
Energy: 1.1147448421269022
Energy: 1.6021081037896687
Energy: 1.1147448421284176
Energy: 1.5218066383329374
Energy: 1.114744842127407
Energy: 1.968678043432591
Energy: 0.7080777930488465
Energy: 1.9686780441126226
Energy: 0.7081203732224026
Energy: 1.968678043431581
Energy: 0.7081346856173821
Energy: 2.0860287074823307
Energy: 1.2820854846753236
Energy: 2.086028707484856
Energy: 1.2820854862817783
Energy: 2.0860287074853607
Energy: 1.2820854856996877
Energy: 1.3193554411966006
Energy: 1.5302046536219658
Energy: 1.3193554412026616
Energy: 1.5302046536249962
Energy: 1.3193554412061974
Energy: 1.5302046536224707
Energy: 1.8540469754806028
Energy: 1.4889444660572455
Energy: 1.8540469754790876
Energy: 1.4889444660567404
Energy: 1.854046975494745
Energy: 1.4889444660572455
Energy: 1.4577924450445765
Energy: 1.4675234513755213
Energy: 1.4577924450486173
Energy: 1.467523451380572
Energy: 1.4577924450445765
Energy: 1.4675234513755213
Energy: 1.2569522204849348
Energy: 1.070510586234367
Energy: 1.2569522204834196
Energy: 1.0705105850817564
Energy: 1.2569522204824093
Energy: 1.0705105865387972
Energy: 0.9405997174628342
Energy: 1.186536551702226
Energy: 0.9469560971139267
Energy: 1.1865365511271608
Energy: 0.9406140510913396
Energy: 1.1865365515053337
Energy: 1.3437635729295436
Energy: 1.3810994520229496
Energy: 1.3437635729260078
Energy: 1.381099491142325
Energy: 1.3437635729265127
Energy: 1.3811428091972506
Energy: 1.2998922692447281
Energy: 0.6886501166928672
Energy: 1.1705070068531644
Energy: 0.6886934856708418
Energy: 1.2998872829260593
Energy: 0.6886663303809002
Energy: 1.2249974275563715
Energy: 0.9851533184029501
Energy: 1.224997427542229
Energy: 0.9851533184049704
Energy: 1.2249974275553615
Energy: 0.9851533210918542
Energy: 1.3492556054240923
Energy: 1.385266046896036
Energy: 1.349255605423082
Energy: 1.385266046900582
Energy: 1.3492556054291431
Energy: 1.3852660469137141
Energy: 1.2131916740873818
Energy: 1.0115889757034044
Energy: 1.213191674088897
Energy: 1.0115889756963332
Energy: 1.213191674089402
Energy: 1.0115889756968384

minimum gb energy = 0.5864702215271723 eV
minimum distance =  2.1094539931867 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -0.4173007068946867
Energy: 1.0269232326172626
Energy: -0.4173007096942673
Energy: 1.0269232326172626
Energy: -0.4173007069608179
Energy: 1.0269232326172626
Energy: 0.929464138319748
Energy: 1.352054614536641
Energy: 0.9294641382880299
Energy: 1.3520546132684865
Energy: 0.9294641383114737
Energy: 1.3520546139328713
Energy: 3.2091712014550473
Energy: -0.7317193396365986
Energy: 3.2091712014550473
Energy: -0.731719339580058
Energy: 3.2091712014550473
Energy: -0.7317193399315256
Energy: 1.2379996823712862
Energy: 2.189007549652286
Energy: 1.237999682369907
Energy: 2.189007549656423
Energy: 1.2379996823726651
Energy: 2.189007549653665
Energy: 1.0878684841950181
Energy: 1.1265042347519052
Energy: 1.0878684841950181
Energy: 1.1266722747080478
Energy: 1.0878684841963973
Energy: 0.13006430119907253
Energy: 1.0809657452430743
Energy: 1.5295587872936256
Energy: 1.0809657452458323
Energy: 1.5295626826769246
Energy: 1.0809657452444532
Energy: 1.5295587872963836
Energy: 1.2602202797842508
Energy: 0.4613093903541476
Energy: 1.2602202797870086
Energy: 0.4613104881190599
Energy: 1.2602202797842508
Energy: 0.4613079558787587
Energy: 0.7997919139003096
Energy: 0.7034744700950654
Energy: 0.7997919139003096
Energy: 0.7034744724935329
Energy: 0.7997919138947933
Energy: 0.7034744818186152
Energy: 0.7542777092105328
Energy: 0.7985318749916082
Energy: 0.7542777092394927
Energy: 0.798531874866178
Energy: 0.7542777091732986
Energy: 0.7985318728577915
Energy: 0.9834319094243875
Energy: -0.01705348106298668
Energy: 0.9834319094257665
Energy: -0.01705348892145772
Energy: 0.9834319094257665
Energy: -0.01705341620375627
Energy: 0.7261762763463554
Energy: 1.0190349021472531
Energy: 0.7261762763491134
Energy: 1.0190349021472531
Energy: 0.7261762763435973
Energy: 1.019034902148632
Energy: 1.4753053065417803
Energy: 1.9904787968354567
Energy: 1.475305306540401
Energy: 1.9904787968106337
Energy: 1.4753053065417803
Energy: 1.990478796792769
Energy: 1.6125189550819043
Energy: 1.849080859265992
Energy: 1.6125189550819043
Energy: 1.8490808592259997
Energy: 1.6125189550763883
Energy: 1.8490808592135883
Energy: 1.0098889829646804
Energy: 1.349603195502687
Energy: 1.0098889829646804
Energy: 1.3496031964855053
Energy: 1.0098889829591644
Energy: 1.3496031954820014

minimum gb energy = -0.7317193399315256 eV
minimum distance =  2.07338362511597 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.2194261818875909
Energy: 1.6834490354221274
Energy: 1.219426181884562
Energy: 1.6834490354203098
Energy: 1.219426181884562
Energy: 1.6834490354221274
Energy: 1.706420777159217
Energy: 1.690365891120905
Energy: 1.7064207771616402
Energy: 1.6903658911184816
Energy: 1.7064207771640632
Energy: 1.6903658911215107
Energy: 2.3249661544406517
Energy: 1.6300981450798007
Energy: 2.3249661544412574
Energy: 1.6300981450791951
Energy: 2.3249661544400455
Energy: 1.6300981450791951
Energy: 1.6167131610695682
Energy: 1.3080088822417628
Energy: 1.61671316107078
Energy: 1.3080088822466092
Energy: 1.6167131610719911
Energy: 1.308008882215713
Energy: 1.2523076587655355
Energy: 1.5410375895230464
Energy: 1.189966454999549
Energy: 1.5410375895085064
Energy: 1.206101726477328
Energy: 1.5410375895066892
Energy: 1.78636053965902
Energy: 1.4623943216140953
Energy: 1.7863605396414513
Energy: 1.4623941814337706
Energy: 1.78636053965902
Energy: 1.4623944942580698
Energy: 1.6863655539276525
Energy: 1.4084490402793652
Energy: 1.6863655539270468
Energy: 1.4084490403780572
Energy: 1.6863655539270468
Energy: 1.4084490404228869
Energy: 1.327961457767814
Energy: 1.9214543284462924
Energy: 1.3279614569987934
Energy: 1.9214543283730168
Energy: 1.3279614516239922
Energy: 1.9214543284323589
Energy: 1.7802312644425828
Energy: 1.044666380634713
Energy: 1.7802312644425828
Energy: 1.0446712467344053
Energy: 1.7802312644425828
Energy: 1.044666380125447
Energy: 1.848418650880527
Energy: 1.7103101198044026
Energy: 1.8484186508811329
Energy: 1.7103101237622145
Energy: 1.848418650880527
Energy: 1.710310119757177
Energy: 1.5058201218107612
Energy: 1.6984486594044168
Energy: 1.5058201218059144
Energy: 1.6984486594365247
Energy: 1.5058201218053087
Energy: 1.6984486594304666
Energy: 1.680751192079266
Energy: 1.7272023359897917
Energy: 1.6807511968472935
Energy: 1.7272023359249975
Energy: 1.6807511974673672
Energy: 1.727202333003286
Energy: 1.7510038257580565
Energy: 1.385659340067062
Energy: 1.7510038257580565
Energy: 1.385659340064033
Energy: 1.7510038257580565
Energy: 1.385659340067062
Energy: 1.639018278008652
Energy: 1.63758195930626
Energy: 1.6390182780092577
Energy: 1.6375819536710983
Energy: 1.639018278008652
Energy: 1.6375819497502133
Energy: 1.6782054003043998
Energy: 1.4973088215888406
Energy: 1.6782054001536086
Energy: 1.497308821587629
Energy: 1.6782053988347327
Energy: 1.4973088215882349
Energy: 1.2809010759584667
Energy: 1.4865617560897835
Energy: 1.2809010759590727
Energy: 1.4865617559632245
Energy: 1.2809010759602844
Energy: 1.4865617560577031
Energy: 1.4292315023294333
Energy: 1.8642195117113356
Energy: 1.429231502334858
Energy: 1.8642195117107294
Energy: 1.429231502334858
Energy: 1.8642195117089122
Energy: 1.4421488957514625
Energy: 1.4205035390540928
Energy: 1.442825782915218
Energy: 1.1287301050624536
Energy: 1.4428267179316947
Energy: 1.1868945310341583
Energy: 2.302730336599343
Energy: 1.3374881920009378
Energy: 2.302730336597525
Energy: 1.3374881910666137
Energy: 2.302730336597525
Energy: 1.3374881915086345
Energy: 1.2070913866267954
Energy: 0.8026292916348174
Energy: 1.2070913866370665
Energy: 0.8026293224102395
Energy: 1.207091386641913
Energy: 0.8026292925534182
Energy: 1.3908934313327994
Energy: 1.768507345193698
Energy: 1.390893447011492
Energy: 1.7743922723903949
Energy: 1.3908934313327994
Energy: 1.7683664311277705
Energy: 1.4783413680262407
Energy: 1.646028856799228
Energy: 1.4783413680268467
Energy: 1.6460288568295187
Energy: 1.4783413680262407
Energy: 1.646028856828913
Energy: 1.8014888994764202
Energy: 2.2741712337707463
Energy: 1.8014888996126723
Energy: 2.2741712337707463
Energy: 1.8014888994231364
Energy: 2.2741712337707463
Energy: 1.7402210613728601
Energy: 0.9012362969982564
Energy: 1.7402210613813411
Energy: 0.9012362969976507
Energy: 1.7402210613728601
Energy: 0.9012362989020694
Energy: 1.3283069988870893
Energy: 1.4746247468620304
Energy: 1.328306998887695
Energy: 1.4746247469607499
Energy: 1.3283069988870893
Energy: 1.4746247468753582
Energy: 1.9279856305787255
Energy: 1.5853711698957076
Energy: 1.927985630579331
Energy: 1.5853711698957076
Energy: 1.927985630579331
Energy: 1.5853711698957076
Energy: 1.5264410409394822
Energy: 2.356913755626885
Energy: 1.5264410409376648
Energy: 2.356913755627491
Energy: 1.5264410409370588
Energy: 2.3569137556280966
Energy: 1.8159184071168808
Energy: 1.2318210272964913
Energy: 1.8159184071247563
Energy: 1.2318210272958858
Energy: 1.8159184071247563
Energy: 1.2318210272964913
Energy: 1.4833204357909535
Energy: 1.7419534172801314
Energy: 1.4833204357903478
Energy: 1.7419534159794299
Energy: 1.483320435789742
Energy: 1.741953415068099
Energy: 2.0646089588420544
Energy: 1.561872141862064
Energy: 2.0646089588311494
Energy: 1.5618721427951765
Energy: 2.0646089588402368
Energy: 1.5618721582504078
Energy: 2.0040578135590583
Energy: 2.338268964560498
Energy: 2.0040578135590583
Energy: 2.338268964559892
Energy: 2.0040578135584526
Energy: 2.3382689645592865

minimum gb energy = 0.8026292916348174 eV
minimum distance =  1.82844833992683 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.28823391381762736
Energy: 1.3103638721501927
Energy: 0.2882339138187054
Energy: 1.310363872151271
Energy: 0.2882339138187054
Energy: 1.3103638721501927
Energy: 1.336141883231199
Energy: 1.9251319496252963
Energy: 1.336141883615915
Energy: 1.9251319496252963
Energy: 1.3361418833734524
Energy: 1.9251319496252963
Energy: 0.9273272469665362
Energy: 1.0000335617148677
Energy: 0.9273272469654582
Energy: 1.0000335617310385
Energy: 0.9273272469686924
Energy: 1.0000335617946432
Energy: 0.7298479682970735
Energy: 0.2917947658288397
Energy: 0.7298487221378751
Energy: 0.2917947972334685
Energy: 0.7298467962812025
Energy: 0.29179475685052325
Energy: 0.8644644161179766
Energy: 2.2643437012930425
Energy: 0.8644644160975427
Energy: 2.264343701343711
Energy: 0.8644644160921524
Energy: 2.264343701256438
Energy: 0.5917014271528183
Energy: 1.0166108607144415
Energy: 0.5917014271980471
Energy: 1.0166108610452549
Energy: 0.5917014271818765
Energy: 1.0166108614040974
Energy: 0.2882339134437411
Energy: 1.3103638721383832
Energy: 0.28823391344266314
Energy: 1.3103638721383832
Energy: 0.28823391344481925
Energy: 1.310363872151271
Energy: 1.3361418814575672
Energy: 1.9251319496296084
Energy: 1.3361418816191761
Energy: 1.9251319496285304
Energy: 1.3361418813293287
Energy: 1.9251319496285304
Energy: 0.9273272474072615
Energy: 1.000033547172017
Energy: 0.9273272474158859
Energy: 1.0000335476213664
Energy: 0.9273272474169639
Energy: 1.0000335473692017
Energy: 0.7298493862215822
Energy: 1.269877430211829
Energy: 0.7298503830690669
Energy: 1.269877430211829
Energy: 0.7298489010885394
Energy: 1.269877430211829
Energy: 0.8644644160253137
Energy: 2.2643437005462994
Energy: 0.8644644160059086
Energy: 2.2643437005570797
Energy: 0.8644644159132456
Energy: 2.264343700494602
Energy: 0.5917014272702762
Energy: 1.0166108669891145
Energy: 0.5917014272573398
Energy: 1.0166108667132818
Energy: 0.5917014272820857
Energy: 1.0166108675375956
Energy: 0.28823391375191554
Energy: 1.3103638721416175
Energy: 0.28823391374975943
Energy: 1.3103638721491149
Energy: 0.28823391375191554
Energy: 1.3103638721405393
Energy: 1.3361418805394634
Energy: 1.9251319496231403
Energy: 1.336141880186011
Energy: 1.925131949622062
Energy: 1.3361418802194305
Energy: 1.925131949624218
Energy: 0.9273272469482097
Energy: 1.0000335342465796
Energy: 0.9273272469482097
Energy: 1.0000335340343023
Energy: 0.9273272469492877
Energy: 1.0000335344459201
Energy: 0.729849258390768
Energy: 1.002339113181999
Energy: 0.7298498569679934
Energy: 1.0023391131809207
Energy: 0.7298491802131696
Energy: 1.0023391131809207
Energy: 0.8644644155781201
Energy: 2.2643437011680385
Energy: 0.8644644155845885
Energy: 2.2643437010937015
Energy: 0.8644644155835104
Energy: 2.2643437011034044

minimum gb energy = 0.28823391344266314 eV
minimum distance =  1.88816496013698 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.5636921933354684
Energy: 1.6624198899069265
Energy: 1.563692193338109
Energy: 1.6624198899034057
Energy: 1.5636921933398693
Energy: 1.6624198899069265
Energy: 2.1028865583791725
Energy: 1.367881734104025
Energy: 2.1028865583809333
Energy: 1.367881734104025
Energy: 2.1028865583791725
Energy: 1.3678817341101863
Energy: 2.951457976106945
Energy: 1.5970975175985223
Energy: 2.9514579760937414
Energy: 1.5970975175421882
Energy: 2.951457976095502
Energy: 1.5970975176002826
Energy: 1.2918362359332776
Energy: 1.0317490870080963
Energy: 1.2918362207632204
Energy: 1.031749086920114
Energy: 1.2918362189956556
Energy: 1.0317490870019346
Energy: 1.5728304433510654
Energy: 1.3831172082939573
Energy: 1.5728224798609756
Energy: 1.3832708647445
Energy: 1.572830443333461
Energy: 1.3831232169682874
Energy: 1.5462653794474877
Energy: 1.0654947731316862
Energy: 1.5462653794466075
Energy: 1.065502890537625
Energy: 1.5462653794483678
Energy: 1.0655048590303462
Energy: 1.757928697596687
Energy: 1.2302570574989233
Energy: 1.7579286975984474
Energy: 1.230257057498043
Energy: 1.7579286975975672
Energy: 1.230257057498043
Energy: 1.6302784441605547
Energy: 1.4823863630245264
Energy: 1.630278444177279
Energy: 1.482386363472359
Energy: 1.6302784441588347
Energy: 1.482386363042971
Energy: 2.1661469662950172
Energy: 1.5409316837118079
Energy: 2.1661469662941375
Energy: 1.540931692964136
Energy: 2.166146966295898
Energy: 1.5409316896471414
Energy: 1.1970846372701331
Energy: 0.2398758019464238
Energy: 1.1970846372710133
Energy: 0.24002711595246962
Energy: 1.1970846372701331
Energy: 0.24052278167015606
Energy: 3.274639844248779
Energy: 1.6824263829717603
Energy: 3.2746398442443776
Energy: 1.6824263829611976
Energy: 3.274639844274305
Energy: 1.6824263829400723
Energy: 1.3758394240981624
Energy: 1.3139459986497697
Energy: 1.3758394240972822
Energy: 1.3139459986559314
Energy: 1.3758394240981624
Energy: 1.3139459986515303
Energy: 1.070668837721563
Energy: 1.5369775062036062
Energy: 1.070668837026508
Energy: 1.536977507789085
Energy: 1.0706688376837536
Energy: 1.5369775060311626
Energy: 0.8492082781918501
Energy: 1.4564461818265675
Energy: 0.8490472556430163
Energy: 1.4612493401184967
Energy: 0.8492143975260251
Energy: 1.4564466387771877
Energy: 1.653175304315403
Energy: 1.0581289504622857
Energy: 1.653175304315403
Energy: 1.0581289504587645
Energy: 1.6531753043136423
Energy: 1.058128950463166
Energy: 1.4559501395456484
Energy: 0.7988638459514188
Energy: 1.4559501323952893
Energy: 0.7988628857965802
Energy: 1.4559501522275198
Energy: 0.7988632339429425
Energy: 1.7010366515918613
Energy: 1.2847590833629745
Energy: 1.7010366515971425
Energy: 1.284759087967133
Energy: 1.7010366515927413
Energy: 1.2847593060639715
Energy: 1.113708474096599
Energy: 1.3727288326433211
Energy: 1.1137083926471842
Energy: 1.3727291118839848
Energy: 1.1137084727883098
Energy: 1.372728632224931
Energy: 2.703336284192942
Energy: 1.4922001428825677
Energy: 2.70333628422459
Energy: 1.492200142887849
Energy: 2.7033362842008235
Energy: 1.4922001428887293
Energy: 1.2587605455556974
Energy: 1.5258016758067467
Energy: 1.2587605454932416
Energy: 1.5258017064257314
Energy: 1.2587605455073252
Energy: 1.5258021255929242
Energy: 1.1251942154605605
Energy: 1.195297237478221
Energy: 1.1251942155080923
Energy: 1.195296906890637
Energy: 1.125194215471123
Energy: 1.195174905738266

minimum gb energy = 0.2398758019464238 eV
minimum distance =  2.27931576176985 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.2650297450992438
Energy: 1.3170565424848493
Energy: 0.6617457824292691
Energy: 1.3170565385089412
Energy: 1.265029747881098
Energy: 1.3170565416846087
Energy: 0.827686961669985
Energy: 1.380944781452619
Energy: 0.8276869617026312
Energy: 1.3809447814429734
Energy: 0.8276869616203071
Energy: 1.3809447814563287
Energy: 1.530849684881707
Energy: 1.4172284390234409
Energy: 1.5308496848891266
Energy: 1.4172284390234409
Energy: 1.530849684883191
Energy: 1.4172284390234409
Energy: 1.5911243935654804
Energy: 2.0780070787281733
Energy: 1.5911243935714163
Energy: 2.078007078725947
Energy: 1.5911243935654804
Energy: 2.078007078727431
Energy: 1.5427596344604366
Energy: 1.237300219744183
Energy: 1.5427596344626624
Energy: 1.2373002120371133
Energy: 1.5427596344589527
Energy: 1.2373002410839393
Energy: 0.32502924303964037
Energy: 1.5162588028177748
Energy: 0.32502924304038233
Energy: 1.5162588009132916
Energy: 0.3250292430151556
Energy: 1.5162588018781464
Energy: 1.3490792424745655
Energy: 0.8888744121997317
Energy: 1.3490792424745655
Energy: 0.8888744121982478
Energy: 1.3490792424730815
Energy: 0.8888744121989898
Energy: 1.6593212058208267
Energy: 1.4793500975082496
Energy: 1.6593212058223108
Energy: 1.4793500975067655
Energy: 1.6593212058230526
Energy: 1.4793500975127012
Energy: 1.3539523287574218
Energy: 1.6414973519765177
Energy: 1.3539523274528829
Energy: 1.6414973519757756
Energy: 1.3539523389044694
Energy: 1.6414973519757756
Energy: 0.8591915775651285
Energy: 0.8123620837331981
Energy: 0.8591915775666125
Energy: 0.8123620837361657
Energy: 0.8591915775651285
Energy: 0.8123620837309721
Energy: 1.119906522827135
Energy: 0.8291203906580588
Energy: 1.119906523422661
Energy: 0.8291203906580588
Energy: 1.1199065234271128
Energy: 0.8291203906580588
Energy: 0.34036844642339675
Energy: 0.9377798139589102
Energy: 0.34043078309841274
Energy: 0.9377798139069728
Energy: 0.3366926773552952
Energy: 0.9377798139514905
Energy: 1.9845081484267713
Energy: 1.3673008831299034
Energy: 1.9845081484252873
Energy: 1.3673008831306452
Energy: 1.9845081484260294
Energy: 1.3673008831291613
Energy: 1.1570053342231204
Energy: 0.5289300159908038
Energy: 1.1570053342246043
Energy: 0.5289300159922877
Energy: 1.1570053342231204
Energy: 0.5289300159915458
Energy: 0.44077657258848757
Energy: 1.134430568786467
Energy: 0.4407765725892295
Energy: 1.1344305687582725
Energy: 0.44077657258848757
Energy: 1.1344305687849834
Energy: 0.33463895067194216
Energy: 0.432539439264379
Energy: 0.33463895044797065
Energy: 0.432539118291434
Energy: 0.33463897198944
Energy: 0.43253861701410956
Energy: 1.6667805779234943
Energy: 1.120927408978203
Energy: 1.666780577926462
Energy: 1.120927408977461
Energy: 1.6667805779249782
Energy: 1.120927408977461
Energy: 0.8932396640461473
Energy: 1.2594728107689368
Energy: 0.8932396640483733
Energy: 1.259472810760033
Energy: 0.8932396640461473
Energy: 1.2594728108015494
Energy: 1.339805439347878
Energy: 0.6435823086145553
Energy: 1.5107630258698337
Energy: 0.6435823085937805
Energy: 1.3398054393404586
Energy: 0.6435823086367807
Energy: 1.265026515111414
Energy: 1.3170564948786703
Energy: 1.2140002729672839
Energy: 1.3170564944277594
Energy: 1.2650261783483565
Energy: 1.3170564983925042
Energy: 0.8276869612264937
Energy: 1.3809447814326197
Energy: 0.8276869612932365
Energy: 1.3809447814400393
Energy: 0.8276869611945893
Energy: 1.3809447814200064
Energy: 1.5308496852591975
Energy: 1.4172284390219572
Energy: 1.5308496852547455
Energy: 1.417228439022699
Energy: 1.5308496852428741
Energy: 1.4172284390212153
Energy: 1.591124393466833
Energy: 2.078007078701496
Energy: 1.591124393470543
Energy: 2.078007078702238
Energy: 1.5911243934208652
Energy: 2.0780070787000122
Energy: 1.5427596344648884
Energy: 1.2373002881427861
Energy: 1.542759634466372
Energy: 1.2373002989417154
Energy: 1.5427596344656305
Energy: 1.2373003018926696
Energy: 0.32502924295212254
Energy: 1.51625875883895
Energy: 0.32502924293134755
Energy: 1.5162587571939852
Energy: 0.3250292429402511
Energy: 1.5162587599158077

minimum gb energy = 0.32502924293134755 eV
minimum distance =  2.30533130348884 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.1333148845525058
Energy: 1.7341264331478
Energy: 1.1333148845589103
Energy: 1.7341264304398682
Energy: 1.1333148845518652
Energy: 1.734126430349593
Energy: 1.6295237238445504
Energy: 1.6497339142496987
Energy: 1.6295237238451907
Energy: 1.6497339142484178
Energy: 1.6295237238439098
Energy: 1.649733914249058
Energy: 1.527739252013602
Energy: 1.7623230104343397
Energy: 1.5277392520091189
Energy: 1.7623230104343397
Energy: 1.5277392520091189
Energy: 1.7623230104343397
Energy: 1.2053812095198897
Energy: 1.9789342112241248
Energy: 1.2053966820071622
Energy: 1.978934211225406
Energy: 1.205411645276944
Energy: 1.9789342112305295
Energy: 2.243175856915205
Energy: 2.254177293605685
Energy: 2.2431758569145646
Energy: 2.2541772936044038
Energy: 2.243175856913924
Energy: 2.254177293605685
Energy: 1.5852539495292823
Energy: 1.666836799891079
Energy: 1.585253949468468
Energy: 1.6668367999269151
Energy: 1.5852539495376081
Energy: 1.6668367998513998
Energy: 2.36963668123434
Energy: 1.6574320197262513
Energy: 2.3696366813559684
Energy: 1.6574320197262513
Energy: 2.369636681233699
Energy: 1.6574320197262513
Energy: 2.6481802282511366
Energy: 1.7032289721498335
Energy: 2.6481802282511366
Energy: 1.7032289737387445
Energy: 2.648180228252418
Energy: 1.703228972260574
Energy: 1.2955370153750099
Energy: 1.0440966850782665
Energy: 1.2955370153762908
Energy: 1.044096685078907
Energy: 1.2955370153750099
Energy: 1.0440966850769855
Energy: 1.474783201608313
Energy: 1.787152835946982
Energy: 1.4747832016127964
Energy: 1.7871528359476223
Energy: 1.4747832016102345
Energy: 1.7871528359495434
Energy: 1.206023135390055
Energy: 1.4208626388816346
Energy: 1.206023135386212
Energy: 1.4208626388835557
Energy: 1.206023135390055
Energy: 1.4208626388829155
Energy: 1.668306845142627
Energy: 1.7721093070762504
Energy: 1.6683068451317395
Energy: 1.7721093070019869
Energy: 1.668306845139425
Energy: 1.772109307081374
Energy: 1.9151466248525593
Energy: 1.470248234220738
Energy: 1.9151466248512783
Energy: 1.470248234234799
Energy: 1.9151466248519187
Energy: 1.4702482342226302
Energy: 1.395986237321354
Energy: 2.0925884153160474
Energy: 1.3959862373392868
Energy: 2.092588415315407
Energy: 1.3959862373386462
Energy: 2.092588415315407
Energy: 1.3594571431895912
Energy: 1.7282756479509067
Energy: 1.3594571431895912
Energy: 1.728275647920194
Energy: 1.3594571431895912
Energy: 1.7282756479208348
Energy: 2.2486496071351563
Energy: 1.5159109321827269
Energy: 2.248649607131343
Energy: 1.5159109320418849
Energy: 2.2486496071588538
Energy: 1.5159109317627626
Energy: 1.320357368029773
Energy: 1.61554367738422
Energy: 1.3203573680419418
Energy: 1.6155436802713925
Energy: 1.3203573680310539
Energy: 1.6155436812822053
Energy: 1.4288923179325554
Energy: 2.4329588520761076
Energy: 1.4288923179632682
Energy: 2.4329588520761076
Energy: 1.4288923179613469
Energy: 2.4329588520735457
Energy: 1.5382953115465616
Energy: 1.2565167626999751
Energy: 1.5382953115478424
Energy: 1.2565167626743567
Energy: 1.5382953123410172
Energy: 1.2565167609600036
Energy: 1.1540361788145705
Energy: 1.78337594831305
Energy: 1.1540361788158517
Energy: 1.7833759483124096
Energy: 1.1540361788216156
Energy: 1.78337594831305
Energy: 2.358178891199721
Energy: 1.578405821272232
Energy: 2.3581788921664004
Energy: 1.2432359963454196
Energy: 2.358178891199721
Energy: 1.3493810062820066
Energy: 1.8201204115603533
Energy: 1.5282339398679579
Energy: 1.8201204115616343
Energy: 1.5282339398673173
Energy: 1.8201204115603533
Energy: 1.5282339398673173
Energy: 1.7790750428443607
Energy: 1.5984968041628758
Energy: 1.779075042845001
Energy: 1.5984968042102403
Energy: 1.779075042845001
Energy: 1.5984968041615948
Energy: 1.769072479145511
Energy: 2.038625586863334
Energy: 1.7690724791448706
Energy: 2.0386255871878998
Energy: 1.7690724791429495
Energy: 2.0386255878683834
Energy: 1.6283737813780121
Energy: 1.402346244356673
Energy: 1.6283737813780121
Energy: 1.402346244355392
Energy: 1.6283737813773713
Energy: 1.402346244355392
Energy: 1.4425594562418784
Energy: 1.9103414854444034
Energy: 1.4425594562213842
Energy: 1.9103414854444034
Energy: 1.4425594562444404
Energy: 1.9103414854444034
Energy: 1.8637966073468653
Energy: 0.8686875018533071
Energy: 1.8637966074031962
Energy: 0.868687493586777
Energy: 1.8637966074006342
Energy: 0.8686875009071219
Energy: 1.9761645068971185
Energy: 1.7917048532469864
Energy: 1.9761645069060847
Energy: 1.7917048532469864
Energy: 1.976164506911179
Energy: 1.7917048532469864
Energy: 1.584065267777444
Energy: 1.999307150040608
Energy: 1.5840652677780844
Energy: 1.999307150040608
Energy: 1.5840652677780844
Energy: 1.999307150040608

minimum gb energy = 0.868687493586777 eV
minimum distance =  1.97932407290121 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.1872772773389835
Energy: 1.029155232317822
Energy: 1.1872772773378577
Energy: 1.029155232317822
Energy: 1.1872772773389835
Energy: 1.029155232317822
Energy: 2.5972878824208676
Energy: 0.7703909004636305
Energy: 2.5972878824236827
Energy: 0.9370578681987655
Energy: 2.5972878824248085
Energy: 1.2751956012394055
Energy: 1.0844926783154913
Energy: 1.145774943948773
Energy: 1.0844926782812
Energy: 1.1457749439442688
Energy: 1.0844926778968302
Energy: 1.1457749439442688
Energy: 1.137525876100838
Energy: 2.0353175677319193
Energy: 1.13752587610872
Energy: 2.03531756773023
Energy: 1.1375258761042162
Energy: 2.0353175677319193
Energy: 1.0428994101854365
Energy: 2.109409518220038
Energy: 1.0428994101826217
Energy: 2.1094095182194748
Energy: 1.0428994101848736
Energy: 2.1094095182194748
Energy: 1.966656642350564
Energy: 0.904552736890938
Energy: 1.96665664235169
Energy: 0.904552736890938
Energy: 1.9666566423511267
Energy: 0.904552736890938
Energy: 1.0829608324430702
Energy: 3.3970931890022937
Energy: 1.082960832440818
Energy: 3.397093189002857
Energy: 1.0829608324430702
Energy: 3.3970931890022937
Energy: 2.975895963368463
Energy: 3.024003383468441
Energy: 2.975895963366774
Energy: 3.024003383469004
Energy: 2.975895963366211
Energy: 3.024003383468441
Energy: 0.9707089694432187
Energy: 0.9939335954740666
Energy: 1.3005187479313995
Energy: 0.9939335954870155
Energy: 0.8921360346537391
Energy: 0.9939335954892675
Energy: 3.083411891027608
Energy: 1.3187905182086204
Energy: 3.0834118910231045
Energy: 1.3187905185614626
Energy: 3.0834118910236668
Energy: 1.3187905178603334
Energy: 0.526472274244596
Energy: 1.6669550031653193
Energy: 0.5264722742490998
Energy: 1.6669550031619413
Energy: 0.5264722742485369
Energy: 1.6669550031647562
Energy: 2.017623396873626
Energy: 2.12722888812144
Energy: 2.017623396876441
Energy: 2.1272288883707424
Energy: 2.0176233968775668
Energy: 2.1272288881259436
Energy: 1.5493048950503991
Energy: 1.1197065678995228
Energy: 1.5493048950498363
Energy: 1.119706566919201
Energy: 1.5493048950515254
Energy: 1.1197065629766225
Energy: 1.3972792919231223
Energy: 1.968386401598337
Energy: 1.3972792919225592
Energy: 1.968386401600026
Energy: 1.3972792919236854
Energy: 1.9683864015989
Energy: 1.5877679202392099
Energy: 2.504500997008338
Energy: 1.5877679202392099
Energy: 2.504500997008901
Energy: 1.5877679202392099
Energy: 2.504500997008901
Energy: 2.288675933837185
Energy: 1.4360121886187416
Energy: 2.2886759338338067
Energy: 1.4360121886187416
Energy: 2.28867593383437
Energy: 1.4360121886187416
Energy: 0.8331037325369888
Energy: 2.877516698094235
Energy: 0.8331037325651383
Energy: 2.8775166980953606
Energy: 0.8331037325341739
Energy: 2.8775166980936717
Energy: 2.9364603833098752
Energy: 1.5655596724523049
Energy: 2.9364603833087495
Energy: 1.565559672452868
Energy: 2.9364603833110015
Energy: 1.5655596724523049
Energy: 1.0910716810854895
Energy: 0.9060315226463107
Energy: 1.0910716810832375
Energy: 0.9060315226463107
Energy: 1.0910716810866155
Energy: 0.9060315226468738
Energy: 3.2548053139204605
Energy: 1.1447620435621726
Energy: 3.2548053139198974
Energy: 1.1447620435661134
Energy: 3.2548053139204605
Energy: 1.1447620436443184
Energy: 1.1562395047096523
Energy: 2.3391778195332207
Energy: 1.1562395047147191
Energy: 2.339177819522524
Energy: 1.1562395047113414
Energy: 2.3391778195343464
Energy: 1.9697334829359303
Energy: 1.672357086073176
Energy: 1.9697334829359303
Energy: 1.672357086073176
Energy: 1.9697334829359303
Energy: 1.6723570860737387
Energy: 0.9247373961063546
Energy: 1.0064423095937272
Energy: 0.9247374133909632
Energy: 1.006442309966274
Energy: 0.9247374026786157
Energy: 1.0064423096359005
Energy: 0.9100202654934657
Energy: 2.890197610174383
Energy: 0.9100202654878359
Energy: 2.890197610174383
Energy: 0.9100202654929027
Energy: 2.890197610174383
Energy: 0.6221436870920378
Energy: 2.5429938614208365
Energy: 0.6221436839789505
Energy: 2.5429938614213996
Energy: 0.62214368876054
Energy: 2.542993861420274
Energy: 2.0399687236420676
Energy: 1.4478020684888555
Energy: 2.0399687236420676
Energy: 1.4478020684888555
Energy: 2.0399687236403787
Energy: 1.4478020684888555
Energy: 1.379346725284533
Energy: 3.0050268931031767
Energy: 1.3793467252817693
Energy: 3.0050268931031767
Energy: 1.379346725284533
Energy: 3.005026893102051
Energy: 1.9585496951190806
Energy: 1.9336806743724262
Energy: 1.9585496951185173
Energy: 1.9336806743724262
Energy: 1.9585496951185173
Energy: 1.9336806743724262
Energy: 0.043470453878492
Energy: 1.0578618051794229
Energy: -0.38891038511216103
Energy: 1.0578618051777342
Energy: 0.04346104931105177
Energy: 1.057861805179986
Energy: 3.1549643629818624
Energy: 0.8503278468834029
Energy: 3.1549643629812993
Energy: 0.8503279256655236
Energy: 3.1549643629824256
Energy: 0.8503278476892486
Energy: 0.7502918902523403
Energy: 2.2443133708487406
Energy: 0.7502918902816159
Energy: 2.2443133708481784
Energy: 0.7502918902500882
Energy: 2.2443133708487406
Energy: 1.6726490552253015
Energy: 1.3241646387847157
Energy: 1.6726490552213606
Energy: 1.3241646387858417
Energy: 1.672649055221924
Energy: 1.3241646387841528
Energy: 1.3850907250994127
Energy: 2.394677607773778
Energy: 1.3850907154781942
Energy: 2.3946776077743412
Energy: 1.3850907249941844
Energy: 2.3946776077743412

minimum gb energy = -0.38891038511216103 eV
minimum distance =  1.9497829780541 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020537704584873317
Energy: -2.1758525056467253
Energy: 0.020537704584405545
Energy: -2.1758525056855507
Energy: 0.020537704584405545
Energy: -2.1758525056736997
Energy: -1.9156422891817355
Energy: 0.414621153228333
Energy: -1.9156422891744072
Energy: 0.4146211533723547
Energy: -1.9156422892297083
Energy: 0.41462115322791726
Energy: -6.953414277100523
Energy: 0.4153093487432066
Energy: -6.953414277099173
Energy: 0.4153093487427388
Energy: -6.953414277100056
Energy: 0.4153093487418033
Energy: -1.9156422892292404
Energy: 0.4146211532269817
Energy: -1.9156422892137002
Energy: 0.4146211533718869
Energy: -1.915642289230176
Energy: 0.414621153228333

minimum gb energy = -6.953414277100523 eV
minimum distance =  2.48236063285523 Angstroms
sigma value = 1