Model name: model_name=EAM_Mendelev_2019_CuZr__MO_945018740343_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.640646010637284
cohesive_energy=3.276684801703484
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6503220418516997e-19, 2.0759562864401396e-19, 2.4800893206003e-19, 2.8281621943367997e-19, 3.13299232072164e-19, 3.38562353237076e-19, 3.59959422184146e-19, 3.79464320526462e-19, 3.9825945461991593e-19, 4.1661559231565395e-19, 4.342203091700459e-19, 4.504663802388059e-19, 4.647882371701319e-19, 4.7691991864278e-19, 4.86996007494006e-19, 4.95482737124304e-19, 5.02809490871586e-19, 5.09088421100232e-19, 5.14271462511222e-19, 5.18337786808314e-19, 5.2134026582043e-19, 5.23376632322244e-19, 5.24555834324868e-19, 5.249419588936619e-19, 5.24555834324868e-19, 5.23288512607374e-19, 5.20673760340686e-19, 5.16238935417774e-19, 5.0960432197638e-19, 5.00395010684148e-19, 4.8824730744516e-19, 4.72880831348466e-19, 4.54173816969882e-19, 4.3216792090189196e-19, 4.068166800221099e-19, 3.77868552598998e-19, 3.4476918551719196e-19, 3.0654765973648797e-19, 2.61754005403116e-19, 2.0820125141166598e-19, 1.4244808256996938e-19, 6.01788758966838e-20, -4.549717009336139e-20, -1.8965765904975e-19, -4.04110603687284e-19, -7.57544360441148e-19, -1.407385601014914e-18, -2.7288913300941596e-18, -5.54768079112206e-18, -1.154499643280988e-17, -2.5593489986842796e-17, -6.36225943538034e-17, -1.8991721166445798e-16, -7.60848048660456e-16]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012459351437271147
Energy: 0.10614160184067478
Energy: 0.7156797769836339
Energy: 0.012746599463705453
Energy: 0.10614160185156568
Energy: 1.007073062046309
Energy: 0.012746599472191424
Energy: 1.007073225619311
Energy: 0.7156797769776215
Energy: 0.012746599436529732
Energy: 0.012459351506155243
Energy: 0.10614160183102068
Energy: 0.01274659946854967
Energy: 1.0070734083022044
Energy: 0.10614160182195068
Energy: 1.0070729215015872

minimum gb energy = 0.012459351437271147 eV
minimum distance =  2.54573980990337 Angstroms
sigma value = 1


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

Energy: 1.2945909779408318
Energy: 0.8422310447840525
Energy: 0.8434866217626936
Energy: 0.8035771769567317
Energy: 0.8241068876722781
Energy: 0.8883150479199021
Energy: 0.8228868464080511
Energy: 0.8883150479101521
Energy: 0.8416310699209151
Energy: 0.8425428691870734
Energy: 1.411064794700467
Energy: 0.8425428691638235
Energy: 0.8261529648405721
Energy: 0.8232110960014729
Energy: 0.8233249276144683
Energy: 0.8232110959842229
Energy: 1.199148168412302
Energy: 0.823000637881723
Energy: 0.8230021979783161
Energy: 0.8230006378847228
Energy: 0.8814837268008044
Energy: 0.9301015125147594
Energy: 0.8234780165538048
Energy: 0.9301015124810436
Energy: 0.886583691814722
Energy: 0.928861480560627
Energy: 1.198326409706782
Energy: 0.928861480556877
Energy: 0.8789852398476247
Energy: 0.8272802908446866
Energy: 0.9049348193877758
Energy: 0.8272802908551866
Energy: 1.0250281176083047
Energy: 1.0052498166812633
Energy: 0.9030085251477912
Energy: 1.0052498166700472
Energy: 0.9041421102222493
Energy: 0.9720117185074941
Energy: 0.9024036259126307
Energy: 0.9720117185074941
Energy: 0.9009608340750563
Energy: 1.0069684869470068
Energy: 1.0254570534741894
Energy: 1.0069684869485067
Energy: 0.8791738377945306
Energy: 1.0055136532485112
Energy: 0.9044420673699393
Energy: 1.005513653236511
Energy: 0.8973433751546123
Energy: 0.9296204807120522
Energy: 0.9013653473327082
Energy: 0.929620480715768
Energy: 0.8817698091727704
Energy: 0.9298022518726047
Energy: 0.8765277616285461
Energy: 0.929802251857639
Energy: 0.8470028228252542
Energy: 0.8227055365581062
Energy: 0.8235029120644228
Energy: 0.8227055365498562
Energy: 0.8524744315557271
Energy: 0.823279304769018
Energy: 0.8233908249875616
Energy: 0.823279304775018
Energy: 0.8418623845938521
Energy: 0.8410199678695846
Energy: 0.8012256176743691
Energy: 0.8410199678680844
Energy: 0.8234876129355864
Energy: 0.8274060430255203
Energy: 0.846308442950216
Energy: 0.8274060430367703
Energy: 0.8232282221950872
Energy: 0.8433546060352505
Energy: 0.8426502345963106
Energy: 0.8433546060262506
Energy: 0.8931380866645627
Energy: 0.8272380603563948
Energy: 0.8435751704279841
Energy: 0.8272380603511448
Energy: 0.8238583655638426
Energy: 0.8234154962386779
Energy: 0.9010332087604132
Energy: 0.823415496245428
Energy: 0.8238804305971275
Energy: 0.8241614109337351
Energy: 0.8815196752804815
Energy: 0.824161410932985
Energy: 0.8792182763085837
Energy: 0.9290097373398193
Energy: 0.8809611610348063
Energy: 0.9290097373300693
Energy: 0.9053615873621773
Energy: 0.928990927387112
Energy: 0.8812641092915098
Energy: 0.9289909274246121
Energy: 0.9029632298860443
Energy: 1.0055187106142462
Energy: 1.0250692845681582
Energy: 1.0055187106142462
Energy: 0.9038577233455625
Energy: 1.0050474988118796
Energy: 0.9054081583879848
Energy: 1.0050474988021296
Energy: 1.0259057150392688
Energy: 1.0051130085252724
Energy: 0.901566608368177
Energy: 1.0051130085245226
Energy: 0.9056739095050897
Energy: 1.005404179382334
Energy: 0.9029044165695947
Energy: 1.005404179374834
Energy: 0.9011935636238478
Energy: 0.9296472114286509
Energy: 0.8970208787709928
Energy: 0.9296472114271509
Energy: 0.8767815248203498
Energy: 0.9293806761063639
Energy: 0.8818219286246812
Energy: 0.9293806761078639
Energy: 0.8227591902124236
Energy: 0.8226556391412527
Energy: 0.8769677435794553
Energy: 0.8226556391232529
Energy: 0.8232046669878723
Energy: 0.8230672219524805
Energy: 0.8524999356646201
Energy: 0.8230672219622305
Energy: 0.8005473669361869
Energy: 0.840934088071641
Energy: 0.8414752566486818
Energy: 0.8409340880866412

minimum gb energy = 0.8005473669361869 eV
minimum distance =  2.26981041678337 Angstroms
sigma value = 1


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

Energy: 1.4777828876877313
Energy: 0.8888722142459275
Energy: 0.8897606438882298
Energy: 0.844448277007723
Energy: 0.8884801485902662
Energy: 0.9362308035346568
Energy: 0.8688546363277798
Energy: 0.9362308035269608
Energy: 0.8882362498943639
Energy: 0.8888397312564207
Energy: 1.352754638765921
Energy: 0.8888397312461591
Energy: 0.8733146282294646
Energy: 0.8691384529533601
Energy: 0.8688260732585943
Energy: 0.8691384529422433
Energy: 0.9012189434597425
Energy: 0.8695692928541784
Energy: 0.8695722829546291
Energy: 0.8695692928533233
Energy: 0.9372515352036345
Energy: 0.9299304247495543
Energy: 0.8692842284056181
Energy: 0.9299304247358722
Energy: 0.8737298854786035
Energy: 0.9924740599810469
Energy: 1.1265701815070084
Energy: 0.9924740599819021
Energy: 0.9373971484020442
Energy: 0.9933937023569337
Energy: 0.9577378156772032
Energy: 0.9933937023629196
Energy: 0.9582776773804299
Energy: 1.0676336617110282
Energy: 0.954994344430925
Energy: 1.0676336617016218
Energy: 0.9571405837530624
Energy: 1.0389114552498238
Energy: 0.9374998623639795
Energy: 1.0389114552857002
Energy: 0.9534426517098318
Energy: 0.9926481640691983
Energy: 0.9638826724029311
Energy: 0.9926481640589369
Energy: 0.9297848901859666
Energy: 0.993189925603443
Energy: 0.9371447377315053
Energy: 0.9931899256111392
Energy: 0.8702700907052208
Energy: 0.8691465789328608
Energy: 0.9526117483578341
Energy: 0.8691465789371364
Energy: 0.8691365943956695
Energy: 0.8693205150753397
Energy: 0.8999039066505782
Energy: 0.8693205150462653
Energy: 0.8415104699257199
Energy: 0.8878715919612178
Energy: 0.888514289648022
Energy: 0.8878715919483908
Energy: 0.897455272703146
Energy: 0.8732860098921239
Energy: 0.8885583833616155
Energy: 0.8732860098921239
Energy: 0.8896412400811056
Energy: 0.8892184210562367
Energy: 0.9022131105190186
Energy: 0.8892184210878376
Energy: 0.8899172577512965
Energy: 0.8750198963010252
Energy: 0.9457576688146453
Energy: 0.8750198962813571
Energy: 0.8688475370905536
Energy: 0.8692954015871629
Energy: 0.8700500972776564
Energy: 0.8692954015974244
Energy: 0.9374266412654466
Energy: 0.8689203072982341
Energy: 0.869496421141801
Energy: 0.8689203072948134
Energy: 0.9371578009059109
Energy: 0.9925017012222533
Energy: 0.935139079102467
Energy: 0.9925017012316597
Energy: 0.9376775409087791
Energy: 0.9925723140271604
Energy: 0.9586127147538486
Energy: 0.9925723140485386
Energy: 0.9573196079641435
Energy: 1.0686113074976764
Energy: 0.9009975902776259
Energy: 1.0686113075028072
Energy: 0.9571926895028131
Energy: 1.06808807260348
Energy: 0.9574179333468923
Energy: 1.0680880726137418
Energy: 0.9528203250370324
Energy: 0.9928036545250195
Energy: 0.9638491619844413
Energy: 0.9928036545164682
Energy: 0.9308091026351849
Energy: 0.9928904087962295
Energy: 0.9370360044031987
Energy: 0.9928904087987948
Energy: 0.8693435586875591
Energy: 0.8690540787530618
Energy: 0.930364294714635
Energy: 0.8690540787111993
Energy: 0.8690610854931443
Energy: 0.8694377262848625
Energy: 0.8999985298940356
Energy: 0.8694377262848625
Energy: 0.839590098356353
Energy: 0.8877368038814333
Energy: 0.8882915731381142
Energy: 0.8877368038660408

minimum gb energy = 0.839590098356353 eV
minimum distance =  2.26068589544407 Angstroms
sigma value = 25


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

Energy: 1.407997212580822
Energy: 0.9387922981529335
Energy: 0.9394669631666116
Energy: 0.8891094231982068
Energy: 0.9385746578990491
Energy: 0.9887500839364058
Energy: 0.9230808834203396
Energy: 0.9887500839393881
Energy: 0.9390552893639847
Energy: 0.9386441131460841
Energy: 0.9224987937449487
Energy: 0.9386441131361434
Energy: 0.9406347185578645
Energy: 1.0436223766518065
Energy: 0.9229053169915212
Energy: 1.0436223766518065
Energy: 0.9572372047427218
Energy: 0.9225440666872422
Energy: 0.9240399211008535
Energy: 0.9225440666902244
Energy: 1.0031998510237674
Energy: 0.9924393702628681
Energy: 0.9225060888584374
Energy: 0.9924393702489512
Energy: 1.0047663870699761
Energy: 1.0693675415169976
Energy: 1.0022148261013057
Energy: 1.0693675415080512
Energy: 1.0030331196253697
Energy: 1.0706589953439807
Energy: 1.0193581570015446
Energy: 1.0706589953390104
Energy: 0.928894307606777
Energy: 1.0692763066140234
Energy: 1.0169447955077606
Energy: 1.0692763066279403
Energy: 1.0030170983112432
Energy: 1.0697234076377955
Energy: 0.923300411617884
Energy: 1.069723407621913
Energy: 0.8833575230119479
Energy: 0.922657282318556
Energy: 0.922478181165744
Energy: 0.9226572823145798
Energy: 0.9515855591263708
Energy: 0.9229972022931556
Energy: 0.922783159239579
Energy: 0.9229972022901735
Energy: 0.9382800171198644
Energy: 0.9383349308560207
Energy: 0.8835747733312913
Energy: 0.9383349308440918
Energy: 0.9384750260549619
Energy: 0.9291377735165611
Energy: 0.9614130229524115
Energy: 0.9291377735175552
Energy: 0.922157246630034
Energy: 0.9400386622821915
Energy: 0.9409863259550264
Energy: 0.9400386622682745
Energy: 1.007350257356712
Energy: 0.9293464088674881
Energy: 0.9393653348896629
Energy: 0.9293464088744465
Energy: 0.9224869660527636
Energy: 0.9227226270633369
Energy: 0.9577659377995751
Energy: 0.9227226270613488
Energy: 0.9224618142531055
Energy: 0.9229103992643185
Energy: 1.0033475598158377
Energy: 0.9229103992523897
Energy: 1.0022418732362024
Energy: 1.0693945864400916
Energy: 1.0044470617851171
Energy: 1.0693945864301508
Energy: 1.0207671478028923
Energy: 1.0696856478505956
Energy: 1.0036175437668646
Energy: 1.0696856478605363
Energy: 1.0169212279694224
Energy: 1.0691414332517815
Energy: 1.049735934339815
Energy: 1.0691414332527756
Energy: 1.0197044455783373
Energy: 1.0692264117383443
Energy: 1.0030229579354857
Energy: 1.0692264117403325
Energy: 0.9234130936345647
Energy: 0.9228968684622642
Energy: 0.8840430827899148
Energy: 0.9228968684731763
Energy: 0.9226444674746929
Energy: 0.9227627138562685
Energy: 0.9518099459629746
Energy: 0.9227627138522924
Energy: 0.8834616435752004
Energy: 0.9388961921129164
Energy: 0.9388644344202239
Energy: 0.9388961921069519

minimum gb energy = 0.8833575230119479 eV
minimum distance =  2.25620603284508 Angstroms
sigma value = 9


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

Energy: 1.3060603859578335
Energy: 0.9931939822913407
Energy: 0.9943153667294683
Energy: 0.9375464647887849
Energy: 0.9927944472751244
Energy: 1.0440789616615025
Energy: 0.9929032308934043
Energy: 1.0440789616686177
Energy: 0.9938679514551341
Energy: 0.9930710528304545
Energy: 0.991633732534754
Energy: 0.9930710528281097
Energy: 0.994399308032876
Energy: 1.1120258159388037
Energy: 0.9892261626170874
Energy: 1.1120258159340606
Energy: 1.0151504897638253
Energy: 0.9889588651702338
Energy: 0.9889985036946429
Energy: 0.9889588651643314
Energy: 1.086452407096153
Energy: 0.9881264942314729
Energy: 0.9894113628844612
Energy: 0.9881264942587475
Energy: 1.0462983020264942
Energy: 1.1322473497668684
Energy: 1.086356313896879
Energy: 1.1322473497550098
Energy: 1.0182484528493807
Energy: 1.1338942442190199
Energy: 1.0864680238190008
Energy: 1.1338942442143034
Energy: 0.9883551738652063
Energy: 0.9895942456597764
Energy: 0.9268937417363919
Energy: 0.9895942456585906
Energy: 0.989496362933887
Energy: 0.9894274246355109
Energy: 1.011438729537014
Energy: 0.9894274246449977
Energy: 0.926594417456229
Energy: 0.9923971562430031
Energy: 0.9928365735126806
Energy: 0.9923971562204719
Energy: 1.064192319586966
Energy: 0.9951105955940296
Energy: 0.9929857219518823
Energy: 0.9951105956011447
Energy: 0.9926329865974678
Energy: 0.9928512028508655
Energy: 0.9915261782830243
Energy: 0.9928512028579807
Energy: 0.9929543140807668
Energy: 0.99495338894747
Energy: 1.0805331519582027
Energy: 0.9949533889379832
Energy: 1.0149493499939686
Energy: 0.9888969777206231
Energy: 0.9887956459527395
Energy: 0.9888969777146938
Energy: 1.0864293107542915
Energy: 0.9891866152228913
Energy: 0.9892896174846124
Energy: 0.9891866152205198
Energy: 1.0479675578071181
Energy: 1.1327079687821278
Energy: 1.0861456986671394
Energy: 1.1327079687750397
Energy: 1.0482839681477922
Energy: 1.132321817137043
Energy: 1.087076962516214
Energy: 1.132321817131114
Energy: 0.9873059141596827
Energy: 0.9895803011293376
Energy: 0.9276364945573887
Energy: 0.9895803011210366
Energy: 0.9890415504692378
Energy: 0.989110213882288
Energy: 0.9269749408525935
Energy: 0.9891102138846596
Energy: 0.9268006126416989
Energy: 0.9939772024058798
Energy: 0.994777115150427
Energy: 0.9939772024201102

minimum gb energy = 0.926594417456229 eV
minimum distance =  2.26118637570035 Angstroms
sigma value = 25


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

Energy: 1.171518946011125
Energy: 1.0538746053577779
Energy: 1.054643100708161
Energy: 0.9893107985415879
Energy: 1.054868959314189
Energy: 1.0661980520969783
Energy: 1.0540504586329278
Energy: 1.0661980520969783
Energy: 1.054403631876061
Energy: 1.0536996784898087
Energy: 1.0521959602808435
Energy: 1.0536996785103403
Energy: 1.0547725646964572
Energy: 1.0659988947588652
Energy: 1.007919654818941
Energy: 1.0659988947779302
Energy: 1.071311509432851
Energy: 1.0747448457567779
Energy: 1.073388463133349
Energy: 1.0747448457494453
Energy: 0.9813930644747674
Energy: 1.078354647227441
Energy: 1.0077132964651836
Energy: 1.078354647211309
Energy: 0.9764054023522228
Energy: 1.0737519616243552
Energy: 1.0728921814415924
Energy: 1.0737519616155558
Energy: 0.9764686276832089
Energy: 1.13992743400612
Energy: 1.009370620764014
Energy: 1.1399274340163859
Energy: 1.0532024251565937
Energy: 1.0530186690102483
Energy: 1.1193775172281133
Energy: 1.0530186690131813
Energy: 1.053971793649728
Energy: 0.9817823721340563
Energy: 1.1195818320001738
Energy: 0.9817823721457887
Energy: 1.141352914030497
Energy: 1.053535098608746
Energy: 1.0574748091126018
Energy: 1.0535350986175451
Energy: 1.0523194817481432
Energy: 1.0582219240429855
Energy: 1.0536977388511013
Energy: 1.0582219240444521
Energy: 1.0084541648470409
Energy: 1.1759044507859995
Energy: 1.0711680965696988
Energy: 1.1759044507977316
Energy: 1.0736854633353674
Energy: 1.079101306993169
Energy: 1.054022099253969
Energy: 1.0791013070048678
Energy: 1.0756149643759405
Energy: 1.0748579592137983
Energy: 1.1557528451821961
Energy: 1.0748579592093988
Energy: 1.0082177891469346
Energy: 1.0748483798639927
Energy: 1.1564275661009666
Energy: 1.074848379869859
Energy: 1.1235680605894296
Energy: 1.0575089849874981
Energy: 1.0592729911121825
Energy: 1.0575089849933643

minimum gb energy = 0.9764054023522228 eV
minimum distance =  2.26427881037012 Angstroms
sigma value = 17


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

Energy: 1.5397075645101657
Energy: 1.1358181146833382
Energy: 1.1351155158134758
Energy: 1.0929161276507733
Energy: 1.1157860843817515
Energy: 1.056536113547683
Energy: 1.1543651756712934
Energy: 1.0565361135625952
Energy: 1.0567969842815657
Energy: 1.0560412419243215
Energy: 1.140863411894397
Energy: 1.0560412419268133
Energy: 1.0569977789190577
Energy: 1.0564188562206724
Energy: 1.0904762063711764
Energy: 1.0564188562032304
Energy: 1.114682132629303
Energy: 1.1847975651003697
Energy: 1.1237907334332156
Energy: 1.1847975651210965
Energy: 1.0549423771790065
Energy: 1.1864776150644312
Energy: 1.113871517925643
Energy: 1.186477615056956
Energy: 1.093462666564805
Energy: 1.0553960187784321
Energy: 1.0567147721245094
Energy: 1.0553960187751097
Energy: 1.193952755218331
Energy: 1.0551093004872374
Energy: 1.056140754378835
Energy: 1.0551093004747787
Energy: 1.1372955838964833
Energy: 1.1363854989684887
Energy: 1.1378188276500671
Energy: 1.136385498956861
Energy: 1.1441629077736133
Energy: 1.1446522508100845
Energy: 1.156179379372808
Energy: 1.1446522508167292
Energy: 1.1134329820570317
Energy: 1.074805867818006
Energy: 1.045213481439415
Energy: 1.0748058678246506
Energy: 1.1486485508142628
Energy: 1.0745647930929598
Energy: 1.0732408105360556
Energy: 1.0745647930805011
Energy: 1.0868502984632913
Energy: 1.0742107147201334
Energy: 1.0731920350250397
Energy: 1.0742107147251165
Energy: 1.0866817546820668
Energy: 1.0740880139515134
Energy: 1.042687687493471
Energy: 1.0740880139589886
Energy: 1.1469250668952944
Energy: 1.1386335816194273
Energy: 1.1784949941824643
Energy: 1.1386335816302247
Energy: 1.1356825539503796
Energy: 1.1363811893748135
Energy: 1.1785696474404517
Energy: 1.136381189381458
Energy: 1.1361417396520799
Energy: 1.0557819162814954
Energy: 1.0548536560542585
Energy: 1.0557819162773425
Energy: 1.1357931339632885
Energy: 1.0559540289065958
Energy: 1.054101809560294
Energy: 1.0559540289007818
Energy: 1.0572009924987047
Energy: 1.1850757213647876
Energy: 1.1172021815525461
Energy: 1.1850757213622958
Energy: 1.1226955261721208
Energy: 1.1856984477300285
Energy: 1.1148849086881425
Energy: 1.1856984476744177
Energy: 1.0554948915284434
Energy: 1.0554228622813109
Energy: 1.1790327411686117
Energy: 1.0554228622696828
Energy: 1.0561911049380819
Energy: 1.0569581948314586
Energy: 1.08742598258385
Energy: 1.056958194830628
Energy: 1.1345156224840267
Energy: 1.1465759334379981
Energy: 1.1349837934095774
Energy: 1.1465759334296923
Energy: 1.1388006435383935
Energy: 1.1361715394498606
Energy: 1.1346479314835543
Energy: 1.136171539453183
Energy: 1.0422954049652167
Energy: 1.0737721862008727
Energy: 1.1481920817310074
Energy: 1.0737721861975504
Energy: 1.0731901956961258
Energy: 1.0743046614310372
Energy: 1.1147327813247523
Energy: 1.074304661416087
Energy: 1.0415698325425038
Energy: 1.1319906419521368
Energy: 1.0880461126805656
Energy: 1.13199064195712
Energy: 1.0740347189356005
Energy: 1.074711718516652
Energy: 1.0866780342863658
Energy: 1.0747117185091768
Energy: 1.042269951453274
Energy: 1.0564504161660366
Energy: 1.0925831092830172
Energy: 1.0564504161685284
Energy: 1.1792049627655348
Energy: 1.1351615232644037
Energy: 1.1343514633773681
Energy: 1.1351615233225063

minimum gb energy = 1.0415698325425038 eV
minimum distance =  2.22993153189302 Angstroms
sigma value = 53


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

Energy: 1.397408195647785
Energy: 1.0996055485312022
Energy: 1.1004228297889105
Energy: 1.010255461329542
Energy: 1.101383460802768
Energy: 1.1035748272093344
Energy: 1.1004321455797752
Energy: 1.1035748272055104
Energy: 1.0993203334033352
Energy: 1.0993101403500904
Energy: 1.0957987888926224
Energy: 1.0993101403175842
Energy: 1.0990220907475055
Energy: 1.072143574061568
Energy: 1.1023996817584465
Energy: 1.0721435740634797
Energy: 1.098764554793714
Energy: 1.0708607907692638
Energy: 0.9936899731196338
Energy: 1.0708607907788243
Energy: 1.1025287725181132
Energy: 1.0720837033238344
Energy: 0.9936695117220088
Energy: 1.0720837033200104
Energy: 1.1860994535152651
Energy: 1.09923262065807
Energy: 1.1003112327473987
Energy: 1.0992326206599823
Energy: 1.1864392918268372
Energy: 1.1023576363306449
Energy: 1.10216423266018
Energy: 1.1023576363153476
Energy: 1.0992997906463458
Energy: 1.0992092112595666
Energy: 1.0963144751870877
Energy: 1.0992092112672152
Energy: 1.1021068920428883
Energy: 1.1030215001952608
Energy: 1.0994484930866097
Energy: 1.103021500181876
Energy: 1.0997606505669861
Energy: 1.0733949613453957
Energy: 0.9937964801175975
Energy: 1.0733949613530445
Energy: 1.1009854557382983
Energy: 1.0706823042866997
Energy: 0.9935841211117057
Energy: 1.0706823042599733
Energy: 1.1861917986384882
Energy: 1.1026089232041754
Energy: 1.1012380645087683
Energy: 1.1026089231907903

minimum gb energy = 0.9935841211117057 eV
minimum distance =  2.29254397585339 Angstroms
sigma value = 9


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

Energy: 1.3635775020655025
Energy: 1.2001014179957805
Energy: 1.2019762549516404
Energy: 1.1500776535729775
Energy: 1.0689322088701576
Energy: 1.0679276361010288
Energy: 1.248036971434645
Energy: 1.0679276360946595
Energy: 1.0690923476577656
Energy: 1.0692144107648767
Energy: 1.2845556590337615
Energy: 1.069214410759215
Energy: 1.071043154483468
Energy: 1.0685636715289484
Energy: 1.2033521952461328
Energy: 1.0685636715218712
Energy: 1.0701142988193777
Energy: 1.0677997713839011
Energy: 1.2405326677330792
Energy: 1.0677997713923935
Energy: 1.0683728922682492
Energy: 1.0674317679149286
Energy: 1.2401275794503255
Energy: 1.0674317679050205
Energy: 1.204567072578427
Energy: 1.1883623215715329
Energy: 1.2050791661831497
Energy: 1.188362321560917
Energy: 1.202639574927246
Energy: 1.1875315915452116
Energy: 1.1877511243467151
Energy: 1.18753159154875
Energy: 1.0995261571937638
Energy: 1.2029952013322718
Energy: 1.1402621577146816
Energy: 1.2029952013443028
Energy: 1.073154204807258
Energy: 1.1426355295299069
Energy: 1.1906847067890571
Energy: 1.142635529524245
Energy: 1.0960545488201687
Energy: 1.0961203237820727
Energy: 1.196219069482696
Energy: 1.0961203237870267
Energy: 1.0975105253577304
Energy: 1.151810094500041
Energy: 1.2404789603140014
Energy: 1.1518100945035796
Energy: 1.2022333611838538
Energy: 1.0968777431223058
Energy: 1.1175653885059222
Energy: 1.0968777431166439
Energy: 1.202385852926393
Energy: 1.0975945079252665
Energy: 1.0989238671837716
Energy: 1.0975945079097287
Energy: 1.1880927808070347
Energy: 1.1177224404035875
Energy: 1.114705813685972
Energy: 1.1177224403639878
Energy: 1.2064738717879295
Energy: 1.1975922776103702
Energy: 1.1153189863646706
Energy: 1.1975922776132013
Energy: 1.1886172228544634
Energy: 1.161393900083972
Energy: 1.0986940041210336
Energy: 1.1613939000868025
Energy: 1.1999823461810035
Energy: 1.198073737896733
Energy: 1.3630610521403945
Energy: 1.198073737916549
Energy: 1.2044071691683906
Energy: 1.1872457223253805
Energy: 1.076030052089974
Energy: 1.187245722335996
Energy: 1.2852910821841441
Energy: 1.0692843670384846
Energy: 1.069153265369989
Energy: 1.0692843670356538
Energy: 1.202473253265346
Energy: 1.0682694421488645
Energy: 1.068739323501545
Energy: 1.0682694421417875
Energy: 1.240169782782252
Energy: 1.0673404290352666
Energy: 1.068197577028447
Energy: 1.0673404290182813
Energy: 1.2405656980932849
Energy: 1.0675951355591726
Energy: 1.0689187651986753
Energy: 1.0675951355726192
Energy: 1.2056733048677026
Energy: 1.1881329451651392
Energy: 1.20193280855002
Energy: 1.1881329451771703
Energy: 1.1881623118249347
Energy: 1.187615208189938
Energy: 1.2026788571398397
Energy: 1.1876152082175067
Energy: 1.141702043813246
Energy: 1.1978238817020608
Energy: 1.0978579173798935
Energy: 1.1978238817246756
Energy: 1.1884330954569788
Energy: 1.1429385129862
Energy: 1.0725094349022792
Energy: 1.142938512962138
Energy: 1.1957328726864926
Energy: 1.0964632088502735
Energy: 1.0972044991552135
Energy: 1.0964632088679342
Energy: 1.2401330078333457
Energy: 1.1008758621124914
Energy: 1.0976925689013322
Energy: 1.100875862101876
Energy: 1.1178170574199768
Energy: 1.0968491467643628
Energy: 1.2020128606355174
Energy: 1.0968491467601167
Energy: 1.1010855035074536
Energy: 1.0982649763804635
Energy: 1.2340881357033093
Energy: 1.0982649763634784
Energy: 1.0978248391756058
Energy: 1.0969672213564732
Energy: 1.1889842510852588
Energy: 1.0969672213642578
Energy: 1.11691655040475
Energy: 1.2009648853736885
Energy: 1.2071485864223812
Energy: 1.2009648853701498
Energy: 1.097370811648398
Energy: 1.1624561122305335
Energy: 1.1328414113443093
Energy: 1.1624561122326567
Energy: 1.242635294280363
Energy: 1.1892942389288097
Energy: 1.1982695067164806
Energy: 1.1892942389273942

minimum gb energy = 1.0673404290182813 eV
minimum distance =  2.28462132746153 Angstroms
sigma value = 73


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

Energy: 1.436312660724175
Energy: 1.1495025084019401
Energy: 1.1511476063954347
Energy: 1.1242981204220066
Energy: 1.0893269033650113
Energy: 1.2366869415805821
Energy: 1.1754959078811573
Energy: 1.2366869415996449
Energy: 1.0827001024438678
Energy: 1.0833624913154905
Energy: 1.247792471680844
Energy: 1.0833624913154905
Energy: 1.0825706096875385
Energy: 1.0831195159286475
Energy: 1.175448458697518
Energy: 1.0831195159219362
Energy: 1.0866708115264516
Energy: 1.086663180279898
Energy: 1.235724183165652
Energy: 1.0866631802832665
Energy: 1.131531850060602
Energy: 1.2456071882045834
Energy: 1.2066335577340037
Energy: 1.2456071881978465
Energy: 1.098647610121465
Energy: 1.1819675250394062
Energy: 1.2060185963201184
Energy: 1.181967525048389
Energy: 1.1657917190810412
Energy: 1.1808668705873293
Energy: 1.1792141792398223
Energy: 1.1808668705828382
Energy: 1.1112306090266588
Energy: 1.2450826102341077
Energy: 1.1796974277505896
Energy: 1.2450826102296417
Energy: 1.1350910574665865
Energy: 1.2539393879705907
Energy: 1.1798677326958005
Energy: 1.253939387977328
Energy: 1.1116824801231402
Energy: 1.0554576116823615
Energy: 1.0554932768220604
Energy: 1.0554576116812386
Energy: 1.1126253982036944
Energy: 1.0557756379296277
Energy: 1.3007344606625069
Energy: 1.0557756379318735
Energy: 1.1792034881161066
Energy: 1.1187121132364102
Energy: 1.1131508730088682
Energy: 1.11871211324427
Energy: 1.179109836849771
Energy: 1.1185086606869392
Energy: 1.1145548092929214
Energy: 1.1185086606903079
Energy: 1.191850043478474
Energy: 1.1088686614540937
Energy: 1.1101526781726982
Energy: 1.1088686614451109
Energy: 1.2363149038710826
Energy: 1.1113750080322031
Energy: 1.1096131181690487
Energy: 1.1113750080254663
Energy: 1.207104669304893
Energy: 1.2670849871710779
Energy: 1.1109636063825423
Energy: 1.2670849871710779
Energy: 1.1855710805365345
Energy: 1.1856275124219602
Energy: 1.0983558226602013
Energy: 1.185627512423083
Energy: 1.1577098596581124
Energy: 1.1603246716546183
Energy: 1.09873107483114
Energy: 1.1603246716658466
Energy: 1.2057085357561181
Energy: 1.1807478685323687
Energy: 1.1503781315462867
Energy: 1.1807478685267547
Energy: 1.1573258830105935
Energy: 1.273578061715262
Energy: 1.137787816794886
Energy: 1.273578061733202
Energy: 1.2080056265639052
Energy: 1.14962452350654
Energy: 1.1503266529196554
Energy: 1.1496245234941889

minimum gb energy = 1.0554576116812386 eV
minimum distance =  2.2753740303594 Angstroms
sigma value = 7


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

Energy: 1.6410605771510418
Energy: 1.1863346029221047
Energy: 1.1864480949768337
Energy: 1.1038440669475724
Energy: 1.077493863710066
Energy: 1.1440132957523435
Energy: 1.2245891793962966
Energy: 1.144013295736464
Energy: 1.0922001796598981
Energy: 1.2300274332978938
Energy: 1.1806059116605967
Energy: 1.230027433295512
Energy: 1.0878117651537564
Energy: 1.0867123741055167
Energy: 1.22400415723989
Energy: 1.0867123740816975
Energy: 1.0785333286494114
Energy: 1.0775644675458786
Energy: 1.2013561249919744
Energy: 1.0775644675363512
Energy: 1.0881211818491703
Energy: 1.0769262334328997
Energy: 1.201346654039919
Energy: 1.076926233428136
Energy: 1.2223578412441145
Energy: 1.0780132523126906
Energy: 1.0883903456625141
Energy: 1.0780132523158665
Energy: 1.2226979683941899
Energy: 1.0768597435063316
Energy: 1.075177025163081
Energy: 1.076859743547618
Energy: 1.2248313245248565
Energy: 1.085643577415376
Energy: 1.086207110053228
Energy: 1.085643577413788
Energy: 1.2609768436492204
Energy: 1.2317712416172566
Energy: 1.0795335359748761
Energy: 1.2317712416013773
Energy: 1.2240866686351943
Energy: 1.1447974148770148
Energy: 1.1546679269352482
Energy: 1.1447974148762208
Energy: 1.1457003315038699
Energy: 1.1465293101919223
Energy: 1.1634685064388508
Energy: 1.1465293102070078
Energy: 1.1454908086523874
Energy: 1.1472658698415024
Energy: 1.144762634121575
Energy: 1.1472658698335623
Energy: 1.1616751535693293
Energy: 1.164631699353588
Energy: 1.10409709452104
Energy: 1.1646316993909045
Energy: 1.1454595750143926
Energy: 1.149320070704793
Energy: 1.083074318435985
Energy: 1.1493200706936777
Energy: 1.0812668960850245
Energy: 1.1453993503265387
Energy: 1.144330088406016
Energy: 1.1453993503376183
Energy: 1.0859983861484148
Energy: 1.1435815443884332
Energy: 1.2287300958023575
Energy: 1.1435815443884332
Energy: 1.0793148845380924
Energy: 1.236659111785213
Energy: 1.179572536677167
Energy: 1.2366591117780672
Energy: 1.0841852519419994
Energy: 1.0859901193459651
Energy: 1.225503386620805
Energy: 1.0859901193419952
Energy: 1.0770822460186558
Energy: 1.0765911399255614
Energy: 1.0825697432027144
Energy: 1.0765911399255614
Energy: 1.0884990745896386
Energy: 1.0779681217183141
Energy: 1.2008465903436836
Energy: 1.0779681216913553
Energy: 1.2227959062184028
Energy: 1.0771509427984258
Energy: 1.1550942939633921
Energy: 1.0771509428135113
Energy: 1.2226538241367235
Energy: 1.0777442825170234
Energy: 1.0785898782889412
Energy: 1.0777442825130534
Energy: 1.2244302146170398
Energy: 1.0867268831699188
Energy: 1.0872608517719307
Energy: 1.0867268831651549
Energy: 1.2622868193896575
Energy: 1.0882013697019406
Energy: 1.0928499402133478
Energy: 1.0882013697059105
Energy: 1.203847680424518
Energy: 1.1439511319780982
Energy: 1.0773570313933878
Energy: 1.1439511319741282
Energy: 1.1450545147853715
Energy: 1.1450820535814799
Energy: 1.4498093743849416
Energy: 1.1450820535910073
Energy: 1.1432978836561678
Energy: 1.144431469768097
Energy: 1.0775802613484096
Energy: 1.1444314697784184
Energy: 1.1830333855752067
Energy: 1.1669983907092856
Energy: 1.1451134465061543
Energy: 1.166998390700552
Energy: 1.143738709969668
Energy: 1.1840158504312923
Energy: 1.1034033774209477
Energy: 1.1840158503979454
Energy: 1.0812415807604556
Energy: 1.1441950328859718
Energy: 1.1460563628563505
Energy: 1.1441950328725103

minimum gb energy = 1.075177025163081 eV
minimum distance =  2.27991277019234 Angstroms
sigma value = 29


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

Energy: 1.0158659981955824
Energy: 1.1961755704601482
Energy: 1.1090864704958925
Energy: 1.017312437896812
Energy: 1.0264825249007654
Energy: 1.1013984751682344
Energy: 1.0267153829715765
Energy: 1.1013984751693409
Energy: 1.0258658528198952
Energy: 1.1101399445005031
Energy: 1.0162628401625138
Energy: 1.1101399444861528
Energy: 1.0142440532975674
Energy: 1.028250449114076
Energy: 1.025007657705824
Energy: 1.0282504491446207
Energy: 1.024396808236301
Energy: 1.0248521920176794
Energy: 1.0143315796784755
Energy: 1.024852192027943
Energy: 1.0245480757907512
Energy: 1.1046405702419038
Energy: 1.0141623287209152
Energy: 1.1046405702364954
Energy: 1.0169381318087085
Energy: 1.1094045649210298
Energy: 1.0248918687546789
Energy: 1.1094045648972453
Energy: 1.0266926681690727
Energy: 1.0234577841736534
Energy: 1.0144353291598693
Energy: 1.0234577841801369
Energy: 1.013722741222076
Energy: 1.023254638857161
Energy: 1.0221614243354669
Energy: 1.0232546388398607

minimum gb energy = 1.013722741222076 eV
minimum distance =  2.25213980170814 Angstroms
sigma value = 5


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

Energy: 1.301213072884025
Energy: 0.9870384741445767
Energy: 1.1331888255620288
Energy: 0.9652342415517907
Energy: 1.1194171263813562
Energy: 1.0058306435988587
Energy: 1.138142176163889
Energy: 1.0058306436213587
Energy: 1.1353202647835192
Energy: 1.072263824693662
Energy: 1.1264220545945298
Energy: 1.0722638246854121
Energy: 1.0058470668121295
Energy: 0.9863573771290748
Energy: 1.1340714868400477
Energy: 0.986357377073609
Energy: 1.1311400947003298
Energy: 0.9922122784765028
Energy: 1.1215643560351534
Energy: 0.992212278451037
Energy: 1.0017431441931584
Energy: 1.0022267981793316
Energy: 1.1224293545231474
Energy: 1.0022267982122972
Energy: 0.9861513220772429
Energy: 0.986179838111844
Energy: 1.1348560661418734
Energy: 0.986179838117094
Energy: 1.0065649206012939
Energy: 0.9945381733703823
Energy: 1.2307285147337899
Energy: 0.9945381733539165
Energy: 1.0217882146705974
Energy: 1.0269084919712923
Energy: 1.2324297758019418
Energy: 1.0269084919637923
Energy: 1.1525003217462513
Energy: 0.9689275283138142
Energy: 0.9685568667796653
Energy: 0.9689275282628143
Energy: 1.0203069858928642
Energy: 0.9691833847405816
Energy: 0.9682189293457155
Energy: 0.9691833847158317
Energy: 1.2339408698468242
Energy: 0.968970407795318
Energy: 0.9709181473071252
Energy: 0.9689704078028178
Energy: 1.2273246297039142
Energy: 0.969133228763201
Energy: 0.9708692266553688
Energy: 0.9691332287489509
Energy: 0.9915655330760063
Energy: 1.0283509435949445
Energy: 1.1235596850075953
Energy: 1.0283509435971945
Energy: 1.003198125257969
Energy: 0.9862858587067418
Energy: 1.1338495528397525
Energy: 0.9862858587217419
Energy: 1.0058435498168254
Energy: 1.0022729006407471
Energy: 1.1200629028860165
Energy: 1.002272900681213
Energy: 0.9850501674625568
Energy: 0.9865898639585415
Energy: 1.0048240950019292
Energy: 0.9865898639368258
Energy: 1.137330135488869
Energy: 1.0064688703079674
Energy: 1.0060018157515167
Energy: 1.0064688703012172
Energy: 1.1284699833452678
Energy: 1.0705040102676542
Energy: 1.1358208409648531
Energy: 1.0705040102774042
Energy: 1.1346807181197713
Energy: 1.2486484851564454
Energy: 1.0045626996648391
Energy: 1.2486470307762096
Energy: 1.1228846216503923
Energy: 1.0040072239180804
Energy: 1.13188505444779
Energy: 1.0040072239248303
Energy: 1.1218002198453707
Energy: 0.9913043492456078
Energy: 0.987990637653867
Energy: 0.9913043492463579
Energy: 1.134862821056214
Energy: 0.9866118130995192
Energy: 0.9894245323126684
Energy: 0.986611813119735
Energy: 1.2293264460762066
Energy: 0.9934713539762384
Energy: 1.0045965726771953
Energy: 0.9934713540032385
Energy: 1.2329809073518723
Energy: 1.0258574516555634
Energy: 1.020490705018926
Energy: 1.0258574516608137
Energy: 0.9692456979185099
Energy: 0.968514927133248
Energy: 1.1523741606474438
Energy: 0.9685149271482479
Energy: 0.9689332831116741
Energy: 0.9692893486120455
Energy: 1.0216621286148657
Energy: 0.9692893486015456
Energy: 0.9689288839120456
Energy: 0.9681585352418758
Energy: 1.0411023277404308
Energy: 0.968158535242626
Energy: 0.970681479181905
Energy: 0.9685365773704433
Energy: 1.2282345566323996
Energy: 0.9685365773584432
Energy: 1.1338328242675273
Energy: 1.0271538211307236
Energy: 1.008612715319264
Energy: 1.0271538210999736
Energy: 1.1233585491131124
Energy: 0.9902617128234465
Energy: 1.004682397776497
Energy: 0.9902617128271967
Energy: 1.1209624033531782
Energy: 0.9916207401316774
Energy: 1.0051401004323746
Energy: 0.9916207401391433
Energy: 1.0074661447480768
Energy: 0.9865217226759249
Energy: 0.9854909030333212
Energy: 0.9865217226774249

minimum gb energy = 0.9652342415517907 eV
minimum distance =  2.21648216246836 Angstroms
sigma value = 1


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

Energy: 1.3660008685573035
Energy: 0.9368348420273719
Energy: 1.1034466228988005
Energy: 0.9155477435431076
Energy: 0.9501544008001008
Energy: 0.9522791268345876
Energy: 1.1392688548700494
Energy: 0.9522791268335506
Energy: 1.1363293567852009
Energy: 1.04684926046538
Energy: 1.1242182887339198
Energy: 1.046849260471602
Energy: 0.9538681863116889
Energy: 1.042535628885838
Energy: 1.1169587237482583
Energy: 1.042535629055835
Energy: 0.9373718934300065
Energy: 0.9373284958065955
Energy: 1.1196070536089182
Energy: 0.9373284957982995
Energy: 0.9369720692203195
Energy: 0.9387647093304204
Energy: 1.1205042690145333
Energy: 0.9387647093138284
Energy: 0.9339560516832933
Energy: 0.9345102637449525
Energy: 1.1181852486156243
Energy: 0.9345102637263101
Energy: 0.9569512597801328
Energy: 0.9505413390317232
Energy: 1.2719900935114397
Energy: 0.9505413390213532
Energy: 1.1357283793530353
Energy: 0.99349161298805
Energy: 1.271015694167894
Energy: 0.9934916129952854
Energy: 1.1593320707220582
Energy: 0.9564844039165118
Energy: 0.9526643475134862
Energy: 0.9564844039185859
Energy: 1.118609809331434
Energy: 0.9344131372818735
Energy: 0.9331981135662955
Energy: 0.9344131372870583
Energy: 1.2677358554932276
Energy: 0.9399893210660186
Energy: 0.9392062224120535
Energy: 0.93998932109192
Energy: 1.2684913164508231
Energy: 0.9356907956455843
Energy: 0.9384068462754989
Energy: 0.9356907956341773
Energy: 1.1162691887090768
Energy: 0.9377714311583953
Energy: 1.1240583570221583
Energy: 0.9377714311594324
Energy: 0.9529958509747039
Energy: 1.041725112094836
Energy: 1.1382634859814722
Energy: 1.0417251120772073
Energy: 0.9540127191658662
Energy: 0.9386167835050263
Energy: 1.1183515685691012
Energy: 0.9386167834946563
Energy: 0.937756018675533
Energy: 0.9355573088607969
Energy: 1.1191940652943704
Energy: 0.9355573088742544
Energy: 0.9573430224047381
Energy: 0.9537407687811875
Energy: 1.1130701477985487
Energy: 0.9537407687863725
Energy: 0.9338701326121113
Energy: 0.9346198591135535
Energy: 1.271833306894406
Energy: 0.9346198591187383
Energy: 0.9392396698275616
Energy: 1.2112762282017684
Energy: 1.2716407978780366
Energy: 1.2086953574916746
Energy: 1.1193457605261048
Energy: 0.9946580656446882
Energy: 1.1185332394786451
Energy: 0.9946580656477991
Energy: 1.11920478091357
Energy: 0.9392181950224366
Energy: 0.9552366050928515
Energy: 0.9392181950307326
Energy: 1.1181162672774732
Energy: 0.9368809160212664
Energy: 0.9391796121086651
Energy: 0.9368809160274648
Energy: 1.268007313263214
Energy: 0.9356588959782877
Energy: 0.9350082245274833
Energy: 0.9356588959731027

minimum gb energy = 0.9155477435431076 eV
minimum distance =  2.22281126303523 Angstroms
sigma value = 17


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

Energy: 1.4421090710997213
Energy: 0.919763716941889
Energy: 1.1013689573110153
Energy: 0.9043623459645095
Energy: 0.9169994877814539
Energy: 0.9219878483092521
Energy: 1.0372448647834704
Energy: 0.9219878483207892
Energy: 1.1378180946505854
Energy: 0.9154172969486585
Energy: 1.040777759747102
Energy: 0.9154172969512222
Energy: 1.1333861564183532
Energy: 0.9718174692810507
Energy: 1.0303246747273296
Energy: 0.9718174692842556
Energy: 1.0176047311031844
Energy: 0.903610722369103
Energy: 1.2364459786743938
Energy: 0.9036107223671801
Energy: 0.9062417353866866
Energy: 0.903206368980004
Energy: 1.2386930672210508
Energy: 0.9032063689902591
Energy: 0.9081653444188994
Energy: 0.9039461960238867
Energy: 1.0306868702229166
Energy: 0.9039461961200288
Energy: 0.912203872790962
Energy: 0.9087018085470774
Energy: 1.3283660776753792
Energy: 0.9087018085451545
Energy: 1.236031506005907
Energy: 0.903874546959349
Energy: 1.1383739325343345
Energy: 0.903874546959349
Energy: 1.0515815735708633
Energy: 0.9733236963234689
Energy: 1.032439599189163
Energy: 0.9733236963407746
Energy: 1.234311416604429
Energy: 1.143173591215535
Energy: 0.9253414025887147
Energy: 1.1431655734084125
Energy: 1.2356035738786109
Energy: 0.9171796274304383
Energy: 1.0308477760345223
Energy: 0.9171796274272336
Energy: 1.2296552795974418
Energy: 0.9146647058810851
Energy: 0.914277580623469
Energy: 0.914664705893904
Energy: 1.0668601644394897
Energy: 0.9163277691256023
Energy: 0.9158176926596584
Energy: 0.9163277691326528
Energy: 1.1611301126506817
Energy: 0.9193314956138934
Energy: 0.9254671064455653
Energy: 0.9193314956254304
Energy: 1.3344583917750474
Energy: 0.9157538628044599
Energy: 1.0696131126814554
Energy: 0.9157538627980504
Energy: 0.9152509499385737
Energy: 0.9233726042867464
Energy: 1.230563093030514
Energy: 0.923359354620912
Energy: 0.91539551113348
Energy: 0.9147427161350162
Energy: 1.2348479567228996
Energy: 0.9147427161445721
Energy: 0.9186359086978152
Energy: 0.9276919117393739
Energy: 1.1345430538418535
Energy: 0.9276919117438607
Energy: 0.9176914230300623
Energy: 0.9152612467307374
Energy: 1.3278749798142366
Energy: 0.9152612467288145
Energy: 1.037066795159667
Energy: 0.9185024788804708
Energy: 1.0196810989535332
Energy: 0.9185024788907258
Energy: 1.03919763901576
Energy: 0.9155143333505821
Energy: 1.1395552272178944
Energy: 0.9155143333544278
Energy: 1.0308417917649715
Energy: 0.9696803059658305
Energy: 1.1449309750195549
Energy: 0.9696803059619848
Energy: 1.2295641942877773
Energy: 0.907081456913743
Energy: 1.017518647918282
Energy: 0.907081456902206
Energy: 1.2359487385510874
Energy: 0.9024150457843124
Energy: 0.9025274576277136
Energy: 0.9024150457830306
Energy: 1.0311623962740715
Energy: 0.9055554738752336
Energy: 0.9098258288758443
Energy: 0.905555473882925
Energy: 1.3283542034527076
Energy: 0.9089828955845954
Energy: 0.9067477188345083
Energy: 0.9089828954788973
Energy: 1.1357288744695784
Energy: 0.9083289264526577
Energy: 1.2387006452955045
Energy: 0.9083289264565034
Energy: 1.0368330412692368
Energy: 0.9715397039230041
Energy: 1.0395637858632976
Energy: 0.9715397039319774
Energy: 0.926531593087046
Energy: 0.9151553185880196
Energy: 1.2327335249331188
Energy: 0.9150696780304785
Energy: 1.0297444320662001
Energy: 0.9156730905270462
Energy: 1.2380009970230474
Energy: 0.9156730905180729
Energy: 0.9142306337324937
Energy: 0.9154698470269726
Energy: 1.2392086661212203
Energy: 0.9154698470423555
Energy: 0.9152106211170952
Energy: 0.9148506609850224
Energy: 1.1303276716757573
Energy: 0.9148506609901499
Energy: 0.9253568666957989
Energy: 0.9244348892063418
Energy: 1.1322732719541284
Energy: 0.924434889214033
Energy: 1.1759688984560712
Energy: 0.9147958637075209
Energy: 1.3345616667249038
Energy: 0.9147958637088027
Energy: 1.3102461469411055
Energy: 0.9228907832068083
Energy: 0.9167008496050689
Energy: 0.9228907832183453
Energy: 1.2331431718332337
Energy: 0.9145868811079525
Energy: 0.9148524869690301
Energy: 0.9145868811207715
Energy: 1.1373055847913975
Energy: 0.917724143490001
Energy: 0.9164942708185063
Energy: 0.9177241434938466

minimum gb energy = 0.9024150457830306 eV
minimum distance =  2.22335623445603 Angstroms
sigma value = 89


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

Energy: 1.5048595224311632
Energy: 0.8265759887883589
Energy: 0.8280510625826595
Energy: 0.8597867185405672
Energy: 0.8276445324241146
Energy: 0.916771745243359
Energy: 0.8273819062492815
Energy: 0.916771745241682
Energy: 0.8201823830999672
Energy: 0.9168843310377895
Energy: 0.8483228961406142
Energy: 0.9168843310294044
Energy: 0.8211237095264784
Energy: 0.9096636054796265
Energy: 0.8267282512485564
Energy: 0.9096636055131675
Energy: 0.8262259882454163
Energy: 0.82713637984157
Energy: 1.102850844635717
Energy: 0.8271363798533093
Energy: 0.8276749520760216
Energy: 0.8258247446478056
Energy: 1.102932905533184
Energy: 0.8258247446427746
Energy: 0.8263600653373506
Energy: 0.8251796200469793
Energy: 0.8280030767823899
Energy: 0.8251796200436253
Energy: 0.8255564332216146
Energy: 0.8261397945064499
Energy: 0.8216924875734679
Energy: 0.8261397945081268
Energy: 0.8274874295713125
Energy: 0.8253061312272307
Energy: 0.82690347919193
Energy: 0.8253061312272307
Energy: 0.8489218739201743
Energy: 0.9317565326645944
Energy: 0.8277166339984218
Energy: 0.931756532615979
Energy: 0.8285130467196189
Energy: 0.9074308370037455
Energy: 0.8191112040162748
Energy: 0.9074308370137887
Energy: 1.1036020020141353
Energy: 0.825191612795334
Energy: 0.826652791999205
Energy: 0.825191612790322
Energy: 1.1036321882172708
Energy: 0.8269865955651855
Energy: 0.8265027638558052
Energy: 0.8269865955433837
Energy: 0.8270898176305569
Energy: 0.8245725145642983
Energy: 0.8241973952091537
Energy: 0.8245725145626212
Energy: 0.8253988370381478
Energy: 0.8269001813972886
Energy: 0.8276552078441223
Energy: 0.8269001813939535

minimum gb energy = 0.8191112040162748 eV
minimum distance =  2.26091410337811 Angstroms
sigma value = 13


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

Energy: 1.3254092841779663
Energy: 0.78131278737508
Energy: 1.0161309610029599
Energy: 0.7796274046624759
Energy: 1.1409277578267485
Energy: 0.780197507553441
Energy: 0.9187816567404009
Energy: 0.7801975075414915
Energy: 1.2596317451698977
Energy: 0.7793085149283665
Energy: 0.9127768052103227
Energy: 0.779308514924149
Energy: 1.0437527294608575
Energy: 0.7826071748288693
Energy: 0.905680698803518
Energy: 0.7826071748401159
Energy: 1.0725623629331869
Energy: 0.7809430159355534
Energy: 1.1519735278018781
Energy: 0.7809430159123891
Energy: 0.9046292201116761
Energy: 0.7806963933291703
Energy: 1.1514325311478169
Energy: 0.7806963933425256
Energy: 0.9127879442388324
Energy: 0.7797363040355427
Energy: 1.069204252595097
Energy: 0.7797363040425718
Energy: 0.904776172816429
Energy: 0.782881151963208
Energy: 1.1429478297146833
Energy: 0.7828811519484469
Energy: 0.8005529319029735
Energy: 0.7825169313919781
Energy: 1.146507089166091
Energy: 0.7825169313800605
Energy: 0.7786931368774543
Energy: 0.7797401626943764
Energy: 1.1474255905631794
Energy: 0.7797401627070288
Energy: 0.7818023489875722
Energy: 0.7857357679072675
Energy: 1.3258958413193411
Energy: 0.7857357677428498
Energy: 1.1409925782375325
Energy: 0.8334638825802407
Energy: 1.0691819593583902
Energy: 0.833463882603437
Energy: 1.154664387106247
Energy: 0.8323961779714988
Energy: 1.1393128538895076
Energy: 0.8323961779995833
Energy: 1.145731843714987
Energy: 0.8350931846806294
Energy: 1.041413693147371
Energy: 0.8350931844185389
Energy: 1.1539254891468982
Energy: 0.7816568212524384
Energy: 1.0702694259550358
Energy: 0.7816568212721201
Energy: 1.152588406926236
Energy: 0.7799850610246419
Energy: 0.782921396401868
Energy: 0.7799850610162069
Energy: 1.1446231780816793
Energy: 0.7800134136508942
Energy: 0.7802678622785437
Energy: 0.7800134136558146
Energy: 1.2654715639842264
Energy: 0.7814458057406084
Energy: 0.7857708154330691
Energy: 0.7814458057553695
Energy: 1.0169962199355824
Energy: 0.7993535253957244
Energy: 0.8995160050352551
Energy: 0.7993535254856653
Energy: 1.1473699065554719
Energy: 0.7786833032170063
Energy: 0.9122766322905669
Energy: 0.7786833032184121
Energy: 1.0402329373636563
Energy: 0.7826610161237875
Energy: 0.9022142415898751
Energy: 0.7826610165390172
Energy: 1.0760985632510565
Energy: 0.7794102214409084
Energy: 1.1510087704569538
Energy: 0.7794102215097619
Energy: 0.9191153340460972
Energy: 0.7820344284709382
Energy: 1.1524962910965775
Energy: 0.7820344284582859
Energy: 0.7822451000677033
Energy: 0.7789721484629588
Energy: 1.0715220296628136
Energy: 0.7789721484819374
Energy: 0.9032202167585269
Energy: 0.7801975401765788
Energy: 1.3565522094250426
Energy: 0.7801975401948547
Energy: 0.7805693407056593
Energy: 0.778568681206427
Energy: 1.3537459139290386
Energy: 0.7785686812141591
Energy: 0.7793131815807709
Energy: 0.7787889384988137
Energy: 1.0753919111029082
Energy: 0.7787889384861612
Energy: 0.801350727336748
Energy: 0.782648041988803
Energy: 1.265461667269152
Energy: 0.7826480419979408
Energy: 1.1398592812165702
Energy: 0.77928952521661
Energy: 1.0170640510824487
Energy: 0.7792895252299655
Energy: 0.912045827265442
Energy: 0.835758252434437
Energy: 1.1414175830233633
Energy: 0.8357582524231906
Energy: 1.1441933724523579
Energy: 1.208446239343837
Energy: 1.040545263440552
Energy: 1.208446980503923
Energy: 1.1517820584558855
Energy: 0.7798102627583864
Energy: 1.0702563165125478
Energy: 0.7798102627576834
Energy: 1.155548416265682
Energy: 0.782065741108024
Energy: 0.801950352873275
Energy: 0.7820657411129442
Energy: 1.0707169417816615
Energy: 0.7791572314297763
Energy: 0.7797940095756934
Energy: 0.7791572314311821
Energy: 1.0175628723648178
Energy: 0.7805097486743565
Energy: 0.7817210987525122
Energy: 0.7805097486687332

minimum gb energy = 0.778568681206427 eV
minimum distance =  2.25770200584739 Angstroms
sigma value = 37


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

Energy: 1.287284087386886
Energy: 0.7269942519560167
Energy: 0.7255032603723549
Energy: 0.7483221077778731
Energy: 1.1259283352235956
Energy: 0.7258354552382782
Energy: 0.9492222699873911
Energy: 0.7258354552322315
Energy: 1.2145693895576704
Energy: 0.7248931224096427
Energy: 0.9381350456248321
Energy: 0.7248931224048054
Energy: 1.2154120238863586
Energy: 0.821415403534617
Energy: 1.0960578798355105
Energy: 0.8214154035394544
Energy: 1.1268021641495993
Energy: 0.7190617162160335
Energy: 1.032916815773357
Energy: 0.7190617162063587
Energy: 0.8246885109242332
Energy: 0.7195750701181884
Energy: 1.1623436405382717
Energy: 0.7195750701314912
Energy: 0.824098143745028
Energy: 0.7187072469607643
Energy: 1.1266300123875659
Energy: 0.7187072469680204
Energy: 0.9056025817436459
Energy: 0.706242191551006
Energy: 1.3769070902668468
Energy: 0.7062421915594714
Energy: 0.8203763706147337
Energy: 0.7104974794410662
Energy: 1.3766319916345016
Energy: 0.7104974794555783
Energy: 0.8125970216791674
Energy: 0.7045695711600388
Energy: 1.1267201415733366
Energy: 0.7045695711564108
Energy: 0.8770695662428588
Energy: 0.8766012745957623
Energy: 1.154607048752105
Energy: 0.876601274583669
Energy: 1.0230384321621786
Energy: 0.7043366268055631
Energy: 1.12666896896433
Energy: 0.7043366268116098
Energy: 1.0244182958957957
Energy: 0.7041750562476837
Energy: 1.2148498877793088
Energy: 0.7041750562476837
Energy: 1.1273375876099598
Energy: 0.7995020813848888
Energy: 1.2154418031337741
Energy: 0.7995020813667487
Energy: 1.0329168157951252
Energy: 0.797441901207683
Energy: 1.1265497264239346
Energy: 0.7974419012620757
Energy: 1.1284615034867684
Energy: 0.9692370815668719
Energy: 0.8242801749545536
Energy: 0.9692370815704998
Energy: 1.1271803154621598
Energy: 0.9731161357723727
Energy: 0.8244259691439814
Energy: 0.9731161357626978
Energy: 1.376907090264428
Energy: 0.7249897206619265
Energy: 0.721293565725659
Energy: 0.7249897206679733
Energy: 1.3766319916296643
Energy: 0.7250833782534855
Energy: 0.7254939847627083
Energy: 0.7250833782462295
Energy: 1.158786121170684
Energy: 0.7271400533789273
Energy: 0.7386008835289988
Energy: 0.727140053363206

minimum gb energy = 0.7041750562476837 eV
minimum distance =  2.24260951434464 Angstroms
sigma value = 25


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

Energy: 1.3572246983986445
Energy: 0.6303076579192722
Energy: 0.630436596899234
Energy: 0.6592730717860544
Energy: 1.2439988960432034
Energy: 0.6285567706621441
Energy: 0.799824620392034
Energy: 0.6285567706527009
Energy: 1.2350108883657323
Energy: 0.6277684892300124
Energy: 0.7977433549714427
Energy: 0.627768489220569
Energy: 0.9644074429801366
Energy: 0.6275667211377328
Energy: 0.7953923601122191
Energy: 0.6275667211198335
Energy: 1.2427935775145416
Energy: 0.9063513014429794
Energy: 1.103480062764495
Energy: 0.9063513014571444
Energy: 0.9625749882780953
Energy: 0.7010926627663495
Energy: 1.1003082805520068
Energy: 0.7010926627672938
Energy: 0.9625550920762129
Energy: 0.9063975998898749
Energy: 1.1017629403276774
Energy: 0.9063975998964852
Energy: 0.9807209646368864
Energy: 0.6274987433352124
Energy: 1.098547582015351
Energy: 0.6274987433635423
Energy: 0.7974513511884457
Energy: 0.6279100007541252
Energy: 1.2436470154078845
Energy: 0.6279100007805665
Energy: 0.7996986579508354
Energy: 0.6285629054949979
Energy: 1.2441328891743955
Energy: 0.6285629054912205
Energy: 0.6277624686475882
Energy: 0.6273722842573364
Energy: 1.1589126063312236
Energy: 0.627372284262058
Energy: 0.6320362500083689
Energy: 0.6287356830410961
Energy: 1.2446059739752078
Energy: 0.6287356830458177
Energy: 0.6295962449241268
Energy: 0.6313221895351901
Energy: 1.234898703722387
Energy: 0.6313221895531327
Energy: 0.7953113707057767
Energy: 0.6273315399247199
Energy: 1.2327237392123644
Energy: 0.6273315399284972
Energy: 0.7970456264399327
Energy: 0.627251991267216
Energy: 1.2434013731516633
Energy: 0.6272519912530939
Energy: 0.8006615431177535
Energy: 0.6291976287946447
Energy: 1.2363363318423242
Energy: 0.6291976287852014
Energy: 1.1013813840070819
Energy: 0.6275518245779699
Energy: 1.2340365927611303
Energy: 0.6275518245845803
Energy: 0.794992624947615
Energy: 0.9073018335503681
Energy: 1.1012766561907155
Energy: 0.9073018329453081
Energy: 1.1005858278185348
Energy: 0.9062176905781049
Energy: 0.9620385930232266
Energy: 0.9062176905677172
Energy: 1.2435690640739543
Energy: 0.906058444998767
Energy: 0.9620797408527061
Energy: 0.9060584450034886
Energy: 1.160110230616168
Energy: 0.6277234020977228
Energy: 0.7956340419700813
Energy: 0.6277234021043332
Energy: 1.244909636414171
Energy: 0.6269391432773187
Energy: 0.6281232904576225
Energy: 0.6269391432829847
Energy: 1.2390900118883774
Energy: 0.630520296306691
Energy: 0.7976205105550842
Energy: 0.6305202962604186
Energy: 1.102986334350058
Energy: 0.6277226659655704
Energy: 0.6274833868013558
Energy: 0.6277226659599043
Energy: 1.242887539775302
Energy: 0.6271749872766268
Energy: 0.6283061743680657
Energy: 0.6271749872785154
Energy: 1.2351564917627589
Energy: 0.629480647979388
Energy: 0.6282230907825014
Energy: 0.6294806479916641

minimum gb energy = 0.6269391432773187 eV
minimum distance =  2.27610920931366 Angstroms
sigma value = 41


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

Energy: 1.4858229090055435
Energy: 0.5697905430277102
Energy: 0.5723990533995539
Energy: 0.5944032270123875
Energy: 1.3198036030610705
Energy: 0.5689372174917404
Energy: 0.7094740344362778
Energy: 0.568937217497934
Energy: 1.3124428042392013
Energy: 0.5683324079260959
Energy: 0.7085161910381363
Energy: 0.568332407938483
Energy: 1.0830356434561021
Energy: 0.5710529756944016
Energy: 0.962600759213135
Energy: 0.5710529756773693
Energy: 1.3172519543125054
Energy: 0.8102734101724022
Energy: 0.9648345392153492
Energy: 0.8102734101654344
Energy: 1.0773525740907568
Energy: 1.0451484762213659
Energy: 0.963651397038876
Energy: 1.0451484762322047
Energy: 1.0825874516873888
Energy: 1.0423180980547404
Energy: 1.1975082129136776
Energy: 1.0423180980679017
Energy: 1.0854002847350301
Energy: 1.0464869440086073
Energy: 0.9604677108023394
Energy: 1.046486944003188
Energy: 0.8444829347585788
Energy: 0.5689219866825693
Energy: 1.1958246078663177
Energy: 0.5689219867127632
Energy: 0.8452299702259846
Energy: 0.8100173004143463
Energy: 1.3196417655216564
Energy: 0.8100173004275076
Energy: 0.7068702023564624
Energy: 0.5715346191445135
Energy: 1.1938462015241877
Energy: 0.5715346192164787
Energy: 0.7063824043221991
Energy: 0.5673985217008423
Energy: 1.319107699999883
Energy: 0.5673985216892294
Energy: 0.71326401544583
Energy: 0.5706373128364407
Energy: 1.3197551797104807
Energy: 0.5706373128186341
Energy: 0.5674974085117236
Energy: 0.5738555632598278
Energy: 1.1933072880981266
Energy: 0.5738555632613761
Energy: 0.5701765571236723
Energy: 0.5685282239505832
Energy: 1.3172287837568948
Energy: 0.5685282239281314
Energy: 0.5733587821912447
Energy: 0.5707695376592028
Energy: 1.312640776191133
Energy: 0.57076953767159
Energy: 0.7061580068385981
Energy: 0.5724163911576603
Energy: 1.3091198953130188
Energy: 0.5724163911715959
Energy: 0.7042373177914854
Energy: 0.5676012001590953
Energy: 1.3164738470523532
Energy: 0.5676302590765802
Energy: 0.7102923378565358
Energy: 0.5717398186545914
Energy: 1.0798331370376133
Energy: 0.5717398186600108
Energy: 0.9657082094306548
Energy: 0.5699237277159969
Energy: 1.0779745064868593
Energy: 0.5699237277043839
Energy: 0.9626943403431031
Energy: 0.5689137524990312
Energy: 1.1981269971209312
Energy: 0.5689137524998055
Energy: 0.9662597127150259
Energy: 1.0448924056644657
Energy: 1.082352342349971
Energy: 1.0448924056528528
Energy: 1.1958775582386014
Energy: 1.0383643273742693
Energy: 1.076576751395428
Energy: 1.0383643273634309
Energy: 0.9643384016887404
Energy: 1.046050661537751
Energy: 0.9672413768561909
Energy: 1.046050661518396
Energy: 1.1980807985281876
Energy: 0.5688910087932075
Energy: 0.8360041252020743
Energy: 0.5688910088419469
Energy: 1.1965841521415765
Energy: 0.5695811904114494
Energy: 0.9647992574991856
Energy: 0.5695811904501593
Energy: 1.1987280767385902
Energy: 0.5705419068987797
Energy: 0.7076852796975165
Energy: 0.5705419068987797
Energy: 1.3163062425008432
Energy: 0.7873123980238282
Energy: 0.7029296853402891
Energy: 0.7076201218809165
Energy: 1.1980788251676315
Energy: 0.5749828352061286
Energy: 0.7066331818600271
Energy: 0.5749828352038061
Energy: 1.1960645139073185
Energy: 0.5732413676386052
Energy: 0.5678795775823726
Energy: 0.5732413676486698
Energy: 1.3169411557970585
Energy: 0.5686990408028153
Energy: 0.5697283158658663
Energy: 0.5686990407942991
Energy: 1.3091446827624207
Energy: 0.5745775973108233
Energy: 0.568486909860498
Energy: 0.5745775973100491

minimum gb energy = 0.5673985216892294 eV
minimum distance =  2.28023000213217 Angstroms
sigma value = 15


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

Energy: 1.3529965716536874
Energy: 0.526838505149609
Energy: 0.8333721070954724
Energy: 0.5474088527210974
Energy: 1.3731768139559055
Energy: 0.5256326346807557
Energy: 0.6463549834006601
Energy: 0.5256326346735413
Energy: 1.3761570974702497
Energy: 0.524681877528935
Energy: 0.6453221339148659
Energy: 0.5246818775413963
Energy: 1.2216809969259275
Energy: 0.5284810464037337
Energy: 0.8612958894234802
Energy: 0.528481046402422
Energy: 1.273715117318918
Energy: 0.525848753159323
Energy: 0.862073345564955
Energy: 0.5258487531298095
Energy: 1.215373623102415
Energy: 0.5267648442310641
Energy: 0.8624358468524201
Energy: 0.5267648442546151
Energy: 1.0136539615101519
Energy: 0.7635844617019382
Energy: 1.068310921559412
Energy: 0.7635844616966914
Energy: 1.0723993783355328
Energy: 0.9605505560380628
Energy: 0.9145126693849974
Energy: 0.9605505560216664
Energy: 1.0125683685841762
Energy: 0.9546117535469406
Energy: 1.0639418321586378
Energy: 0.9546117535378184
Energy: 1.011271057105078
Energy: 0.9554056168131885
Energy: 1.2656384832888496
Energy: 0.955405616797448
Energy: 0.8736443388665684
Energy: 0.7607718111285393
Energy: 1.1213069279851096
Energy: 0.7607718112091498
Energy: 0.8098662871507405
Energy: 0.5246534762442432
Energy: 1.265760895769979
Energy: 0.5246534762389964
Energy: 0.8662071935433667
Energy: 0.5263797970161544
Energy: 1.3147619415912877
Energy: 0.526379797004349
Energy: 0.6343613933481526
Energy: 0.5304787985963505
Energy: 1.1178181002213243
Energy: 0.5304787985268894
Energy: 0.6382129189646162
Energy: 0.5235056593662052
Energy: 1.3295356936688516
Energy: 0.5235056593707962
Energy: 0.6465118471185747
Energy: 0.5280527536276819
Energy: 1.3172694056565597
Energy: 0.5280527536434224
Energy: 0.5806098999860133
Energy: 0.5306723210801029
Energy: 1.3197766352170797
Energy: 0.530672321075512
Energy: 0.5778163092938695
Energy: 0.5785564563856885
Energy: 1.3681001320637005
Energy: 0.5787609538773958
Energy: 0.5904453473071191
Energy: 0.5258595556813019
Energy: 1.16584069866909
Energy: 0.5258595556753992
Energy: 0.7054856649310371
Energy: 0.524423146803214
Energy: 1.3673910870597366
Energy: 0.5244231468189544
Energy: 0.6899541049099283
Energy: 0.5783504623139583
Energy: 1.3662287674849984
Energy: 0.5783504605596655
Energy: 0.7071712863448736
Energy: 0.529528997856992
Energy: 1.219973815516544
Energy: 0.5295289978320695
Energy: 0.8598786394292038
Energy: 0.5253539715957852
Energy: 1.2131695863706438
Energy: 0.5253539715866629
Energy: 0.8596408119310126
Energy: 0.523951242257008
Energy: 1.2257466697726538
Energy: 0.5239512422602872
Energy: 0.8576370358684611
Energy: 0.7648302069882045
Energy: 1.0174683487450844
Energy: 0.7648302070111592
Energy: 1.0673084025598725
Energy: 0.8859989074945738
Energy: 1.2261344359468191
Energy: 0.8859989074880152
Energy: 0.9113180579305895
Energy: 0.5757999294266792
Energy: 1.0639247800804184
Energy: 0.5757999293899513
Energy: 1.0735611971535706
Energy: 0.9585647984976137
Energy: 1.0187824624731219
Energy: 0.9585647984707235
Energy: 1.11624558135644
Energy: 0.7597000402313554
Energy: 1.0673281076810037
Energy: 0.7597000402254527
Energy: 1.1133345936294938
Energy: 0.7554287789224561
Energy: 0.8629263097067011
Energy: 0.7554287789303262
Energy: 1.3333027508880781
Energy: 0.525404577208674
Energy: 0.8099193124022533
Energy: 0.5254045772080181
Energy: 1.1188298063315623
Energy: 0.5274805451953046
Energy: 0.8700803593164733
Energy: 0.5274805452044865
Energy: 1.3153352927087103
Energy: 0.5253508991782324
Energy: 0.6465474146624562
Energy: 0.5253508992031548
Energy: 1.3757023991746822
Energy: 0.5250570441392195
Energy: 0.6450749517833321
Energy: 0.5250570441575835
Energy: 1.3124431722148102
Energy: 0.5320873644303732
Energy: 0.6992407370428763
Energy: 0.5320873641228965
Energy: 1.3790702176585221
Energy: 0.5263784046281699
Energy: 0.5284857461422969
Energy: 0.526378404544936
Energy: 1.4146056555312334
Energy: 0.5267725255379143
Energy: 0.529330024820756
Energy: 0.5267725255516276

minimum gb energy = 0.5235056593662052 eV
minimum distance =  2.28213660318976 Angstroms
sigma value = 85


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

Energy: 1.4301809695117869
Energy: 0.5060661566739997
Energy: 0.4958832759596885
Energy: 0.5055357453050754
Energy: 1.3961562502955516
Energy: 0.47124330841680084
Energy: 0.5719524487671793
Energy: 0.4712433084327279
Energy: 1.257639834721757
Energy: 0.47070130285773826
Energy: 0.5717542159188236
Energy: 0.47070130285773826
Energy: 1.0739909587358187
Energy: 0.46916063159985466
Energy: 0.7669182437970802
Energy: 0.4691606315327593
Energy: 1.3059316129530416
Energy: 0.4693731684833066
Energy: 0.7668266538119135
Energy: 0.46937316847932486
Energy: 1.0781747710721763
Energy: 0.4698535182513537
Energy: 0.7686835095731583
Energy: 0.4698535183087791
Energy: 1.0770068314835075
Energy: 0.6945188832754303
Energy: 0.94655682798091
Energy: 0.6945188833152479
Energy: 1.1273010263670162
Energy: 0.6939477488413933
Energy: 0.8103752471784725
Energy: 0.69394774885277
Energy: 1.0795904814118433
Energy: 0.8804738172110185
Energy: 0.9475363764498879
Energy: 0.8804738172121561
Energy: 1.0818624446634495
Energy: 0.8875169638735397
Energy: 1.1266149063347306
Energy: 0.8875169638797967
Energy: 0.9478869249179167
Energy: 0.8870284853211299
Energy: 0.9883782601966247
Energy: 0.8870284853319118
Energy: 0.9022690762637098
Energy: 0.46948155036546485
Energy: 1.1273036107831684
Energy: 0.46948156690519105
Energy: 0.9477926675250483
Energy: 0.4695531588031688
Energy: 1.1690247105705938
Energy: 0.46955315879406756
Energy: 0.7688460105223981
Energy: 0.4703703731316026
Energy: 0.9850496220152438
Energy: 0.47037037312193264
Energy: 0.7153732827492003
Energy: 0.469816560517513
Energy: 1.3055982150233414
Energy: 0.46981656050158593
Energy: 0.7689458970137152
Energy: 0.4704393566702744
Energy: 1.1680782679592163
Energy: 0.4704393566765315
Energy: 0.5694817555587975
Energy: 0.47069699897237965
Energy: 1.1661027297544415
Energy: 0.4706969989695355
Energy: 0.5700121866438915
Energy: 0.4695850979304179
Energy: 1.3569012587105664
Energy: 0.4695850979281427
Energy: 0.5694566475376339
Energy: 0.4693553223112349
Energy: 1.3446901423732491
Energy: 0.4693553223038402
Energy: 0.5170304054153243
Energy: 0.46953677261613685
Energy: 1.3446654283306934
Energy: 0.46953677261898097
Energy: 0.5182772828666867
Energy: 0.4669808173860119
Energy: 1.3920907724871612
Energy: 0.4669808173808924
Energy: 0.5183112613648128
Energy: 0.4670452881239374
Energy: 1.2101199821442647
Energy: 0.4670452881438462
Energy: 0.621302132777149
Energy: 0.46705018972363005
Energy: 1.3897479683471294
Energy: 0.4670501897281807
Energy: 0.6176265304790953
Energy: 0.46951879364050564
Energy: 1.392006458493193
Energy: 0.46951879363939375
Energy: 0.6207104088385244
Energy: 0.4669346517933391
Energy: 1.0740463952567114
Energy: 0.46693465210262436
Energy: 0.763918027068434
Energy: 0.4697536712228854
Energy: 1.3964844193959338
Energy: 0.4697536712109402
Energy: 0.7632521031335384
Energy: 0.4692177556936299
Energy: 1.2588140379469976
Energy: 0.4692177556748846
Energy: 0.8746024618699074
Energy: 0.4693413182647487
Energy: 1.0769705956496933
Energy: 0.46934132025077246
Energy: 0.9507506427984865
Energy: 0.7985565441120656
Energy: 1.2675856269514012
Energy: 0.7985565441126343
Energy: 0.949018054501863
Energy: 0.8041070443533923
Energy: 1.079638207286159
Energy: 0.8041070443488416
Energy: 1.1277272454082754
Energy: 0.883710646869693
Energy: 0.899392507712384
Energy: 0.883710646869693
Energy: 0.9881975272113445
Energy: 0.8836440734697389
Energy: 1.0977428866745442
Energy: 0.8836440734577936
Energy: 1.1275507670893945
Energy: 0.7008561068164181
Energy: 0.8998362266004557
Energy: 0.700856106810161
Energy: 1.3061714176036991
Energy: 0.6922777538620579
Energy: 0.900920465382051
Energy: 0.692277753836461
Energy: 0.9852157082810568
Energy: 0.46911340693621595
Energy: 0.766561320684788
Energy: 0.4691134069441794
Energy: 1.3051616950499658
Energy: 0.4691837846898399
Energy: 0.7669261050150348
Energy: 0.4691837846443598
Energy: 1.346851537458241
Energy: 0.4697770753969522
Energy: 0.7681535005575622
Energy: 0.4697770753741992
Energy: 1.1660352379867818
Energy: 0.4692430417539141
Energy: 0.5727273226879082
Energy: 0.46924304174595055
Energy: 1.3972872785845052
Energy: 0.4693039665170334
Energy: 0.5709658722764619
Energy: 0.46930396653805395
Energy: 1.3447236166990122
Energy: 0.4691732038357309
Energy: 0.5729867879699635
Energy: 0.4691732038431256
Energy: 1.1631483553585633
Energy: 0.46937729941372097
Energy: 0.4722394994980475
Energy: 0.4693772994239598
Energy: 1.3981874338473532
Energy: 0.4693157477554843
Energy: 0.4699548448453409
Energy: 0.4693157477628791
Energy: 1.2546613169547216
Energy: 0.46958362209359306
Energy: 0.4710531946513047
Energy: 0.46958362211463955

minimum gb energy = 0.4669346517933391 eV
minimum distance =  2.27429081202273 Angstroms
sigma value = 113


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

Energy: 0.014096147117487724
Energy: 0.4498452866211081
Energy: 1.1034292124978373
Energy: 0.014932137944131693
Energy: 0.7592072579548254
Energy: 0.11087503337632937
Energy: 0.7615918832520125
Energy: 0.11087503339170714
Energy: 0.014784104785744745
Energy: 0.10942952034611446
Energy: 0.7603091606266256
Energy: 0.10942952031492165
Energy: 0.01564447153029601
Energy: 0.10880788537725603
Energy: 0.7585306616141094
Energy: 0.10880788537725603
Energy: 0.7595159217329858
Energy: 0.11060941972115813
Energy: 0.7598569899520874
Energy: 0.11060941971858304
Energy: 0.014605503838163107
Energy: 0.10926286352108525
Energy: 0.759898628403207
Energy: 0.10926286351722257

minimum gb energy = 0.014096147117487724 eV
minimum distance =  2.54116923512298 Angstroms
sigma value = 1