Model name: model_name=EAM_MagneticCubic_MendelevHanSrolovitz_2003_Fe__MO_856295952425_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658364951610565
cohesive_energy=4.002359338941917
mass=55.845
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=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19, -1.04629343995053e-18, -1.7621539709049e-18, -2.98863620599824e-18, -5.1358733308850395e-18, -9.088186738701599e-18, -1.69832325380634e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01507161141782295
Energy: 0.01561135277030271
Energy: -4.23902724888037
Energy: 0.03522491990974984
Energy: 0.01561135277030271
Energy: -3.821114706293499
Energy: 0.035224919908559
Energy: -3.8505371316599604
Energy: -4.265685500439858
Energy: 0.035224919909137405
Energy: 0.01507161141782295
Energy: 0.015611352769690275
Energy: 0.035224919908559
Energy: -3.849101878531269
Energy: 0.015611352770881123
Energy: -3.8305768052928943

minimum gb energy = -4.265685500439858 eV
minimum distance =  2.44893348067287 Angstroms
sigma value = 1


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

Energy: -4.626199614729281
Energy: 0.06064795749208468
Energy: -5.117005676862067
Energy: -0.007591712305913369
Energy: -4.96895272729878
Energy: 0.033489903604785716
Energy: -0.3857478081603415
Energy: 0.03348990360181471
Energy: -0.10292047247962954
Energy: -0.6131368443409785
Energy: 0.0803354025286734
Energy: -0.6131368443268662
Energy: -0.6423186735444737
Energy: 0.13323146598295355
Energy: -0.3133810479343739
Energy: 0.1332314659762688
Energy: 0.13938281139720818
Energy: 0.05050545676110017
Energy: -0.09965468638831822
Energy: 0.050505455911055055
Energy: 0.13942922978381872
Energy: -0.16750159250286706
Energy: -0.017681458861765174
Energy: -0.06439548408661645
Energy: -0.13339058523439506
Energy: 0.4258208426550364
Energy: 0.08206769357585325
Energy: 0.4258208426498371
Energy: 0.08661998538736408
Energy: 0.41053142138114634
Energy: 0.02405782733829432
Energy: 0.41053142788400176
Energy: -0.04556278551180382
Energy: 0.5988779950328535
Energy: -0.09434745957978301
Energy: 0.5988779950328535
Energy: -0.16132874841504552
Energy: -0.2754032525375615
Energy: -0.0746092317062445
Energy: -0.2754032859784544
Energy: -0.04293996340451383
Energy: 0.6163989512075233
Energy: -0.08806920364318936
Energy: 0.6163989512082659
Energy: -0.09919725791492927
Energy: -0.18381319098925678
Energy: -0.15034658701480633
Energy: -0.18381318161026572
Energy: -0.1861313798016289
Energy: -0.46504269239413437
Energy: 0.16441794353095487
Energy: -0.45436789226743335
Energy: 0.15846240781613372
Energy: -0.42094733441938154
Energy: 0.19886393316866224
Energy: -0.42094733434368836
Energy: 0.20540501922694585
Energy: 0.22635374605041625
Energy: -0.17005245026012816
Energy: 0.22635374587445173
Energy: 0.11406289048690046
Energy: 0.013964337146281038
Energy: 0.10164381779847967
Energy: 0.013964337007454062
Energy: -0.09151726817895008
Energy: -0.590922791952976
Energy: 0.15733428141830294
Energy: -0.5909227919455485
Energy: 0.16123627983884903
Energy: -0.541390689315987
Energy: 0.06652269841081598
Energy: -0.5413906894050498
Energy: 0.20750591817642336
Energy: -0.5890384777753959
Energy: -0.09888343108273348
Energy: -0.5890384777739104
Energy: 0.0276558628806543
Energy: -0.6547821866390996
Energy: -0.5799824215455857
Energy: -0.6547821866710379
Energy: -0.1179333401521273
Energy: 0.2368990830739799
Energy: 0.13149450487486483
Energy: 0.23689908303758506
Energy: -0.04293431747687281
Energy: 0.2637431223576317
Energy: 0.139109838217708
Energy: 0.2637431223865991
Energy: 0.08726363452302059
Energy: 0.46531278436406537
Energy: -0.3136070549189237
Energy: 0.46531278451254815
Energy: -0.08967371143137423
Energy: -0.4649240532324582
Energy: -0.3088678586838732
Energy: -0.4649240551471361
Energy: -0.09736055316082168
Energy: 0.5982181283108073
Energy: -0.0600314068198144
Energy: 0.5982181283100647
Energy: -0.14735369901117382
Energy: -0.27491290608770413
Energy: -0.14444931956851753
Energy: -0.2749043800583414
Energy: -0.09906671474737985
Energy: 0.6148862282168419
Energy: -0.04172138175201289
Energy: 0.6148862282183273
Energy: -0.1501540071876067
Energy: -0.26220210253513887
Energy: -0.049216450836967636
Energy: -0.26220182392357994
Energy: 0.16167771495234495
Energy: 0.4111791579860574
Energy: -0.1802452227274385
Energy: 0.4111791579808581
Energy: 0.2218745321811412
Energy: -0.19844592134812788
Energy: 0.16073840962198743
Energy: -0.2008612717828554
Energy: -0.1808326733867295
Energy: 0.22325334068531297
Energy: 0.239256624096346
Energy: 0.2232533405071202
Energy: 0.1527249281151701
Energy: 0.020502158286757402
Energy: 0.11217585652669095
Energy: 0.020502161031493642
Energy: 0.14725131386696208
Energy: -0.5638185955727848
Energy: -0.8314736759207009
Energy: -0.5638185955727848

minimum gb energy = -5.117005676862067 eV
minimum distance =  2.28998205657547 Angstroms
sigma value = 1


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

Energy: -2.960442681182551
Energy: 0.1564650681063605
Energy: 0.1611236930798755
Energy: -0.2512536825891917
Energy: -0.30491498234102066
Energy: 0.1662152816282351
Energy: -0.24090111077251083
Energy: 0.16621528163162258
Energy: -0.0077886249313195806
Energy: -0.17640776852790108
Energy: 0.4024826444453957
Energy: -0.1764077685151981
Energy: -0.3017668643056656
Energy: 0.11348769155867391
Energy: -0.2451612715675597
Energy: 0.1134876915637551
Energy: 0.1488015474719669
Energy: 0.31296645499022646
Energy: 0.2202736011279519
Energy: 0.3129664548446424
Energy: -0.16159420581498563
Energy: 0.3511048618938329
Energy: 0.10937490467501301
Energy: 0.3511048636198244
Energy: 0.14171815843312408
Energy: 0.637791687183164
Energy: 0.20588500546929367
Energy: 0.6377916871840109
Energy: 0.008229245738534011
Energy: 0.4868906349600248
Energy: 0.13083203626895526
Energy: 0.48689063561349805
Energy: 0.02625275920842205
Energy: 0.6778244352438141
Energy: 0.12659452165693308
Energy: 0.6778244352455077
Energy: 0.009427127441941087
Energy: 0.6692371618768436
Energy: 0.07222655539383067
Energy: 0.6692371618726093
Energy: 0.28001111753590074
Energy: 0.5917035008805956
Energy: 0.13887736386444394
Energy: 0.5917035008797489
Energy: 0.26392045630945765
Energy: 0.01869442073875686
Energy: 0.07951377454289721
Energy: 0.020972478985767606
Energy: 0.1669511838067179
Energy: 0.3667186213563967
Energy: 0.3111345599823109
Energy: 0.3667186211083802
Energy: -0.1793336744802749
Energy: 0.415135050744952
Energy: 0.20395054240923138
Energy: 0.4151350507483394
Energy: 0.2341001512430328
Energy: -0.282931223569197
Energy: 0.07752500772760244
Energy: -0.2829312235945645
Energy: -0.23538304043940064
Energy: -0.32110409949434054
Energy: -0.2301952522611229
Energy: -0.3211040914526858
Energy: 0.09083231094189269
Energy: -0.250820390373247
Energy: 0.2842194367222459
Energy: -0.2508203903774814
Energy: -0.02729174744583684
Energy: -0.34978231823512995
Energy: 0.13182767165662196
Energy: -0.3497823182258144
Energy: 0.2630293897484304
Energy: 0.37319669192831806
Energy: 0.20480626278275135
Energy: 0.3731966919113807
Energy: -0.2892715631712944
Energy: 0.15759465623256508
Energy: 0.23843378450999403
Energy: 0.15759465933583153
Energy: 0.1352484009148889
Energy: 0.5828162224606517
Energy: 0.1671137802930236
Energy: 0.5828162224614986
Energy: 0.14053271284973037
Energy: 0.1002291088938702
Energy: 0.13594977439420844
Energy: 0.09994399521940928
Energy: 0.13670813190873957
Energy: 0.6650143492844546
Energy: 0.1148132759622864
Energy: 0.6650143492836078
Energy: 0.09516215101562558
Energy: 0.5750424943382241
Energy: 0.08633261034208291
Energy: 0.5750424943399179
Energy: 0.2744026014901064
Energy: 0.6281611156270778
Energy: 0.04340299190804865
Energy: 0.6281611156304654
Energy: 0.28964629868656727
Energy: 0.1412024328138365
Energy: 0.06139603481162656
Energy: 0.14119968322966525
Energy: 0.16255753764202363
Energy: 0.3753946078070361
Energy: 0.3103079268138973
Energy: 0.3753946078053423
Energy: 0.2273455826006638
Energy: 0.3786487418600098
Energy: 0.20784996898425181
Energy: 0.37864874186339725
Energy: 0.23561909235076728
Energy: -0.23451649951090525
Energy: 0.07296784743840563
Energy: -0.23451649948126493

minimum gb energy = -2.960442681182551 eV
minimum distance =  2.26708770122237 Angstroms
sigma value = 25


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

Energy: -2.281456517499399
Energy: 0.27800506887096
Energy: 0.29661832778761216
Energy: 0.009200393697520015
Energy: -2.6885112923474077
Energy: 0.25807950326782
Energy: 0.2022458892311171
Energy: 0.25807950287515363
Energy: -0.04695009728238704
Energy: -0.030887278821972848
Energy: 0.5180905188337007
Energy: -0.030887278823941773
Energy: -2.5987049106601683
Energy: 0.28690687402279713
Energy: 0.26571930273395994
Energy: 0.28690687396869646
Energy: 0.3012334388940867
Energy: 0.4873547176143955
Energy: 0.3372812750749665
Energy: 0.4873547176311314
Energy: 0.20756514301395756
Energy: 0.38523362364906377
Energy: 0.24828776807130823
Energy: 0.3852336236461103
Energy: 0.3343698572061209
Energy: 0.7040106703226022
Energy: 0.3522437284715712
Energy: 0.7040106703196488
Energy: 0.1830860679682041
Energy: 0.5850955852230801
Energy: 0.24729995188973372
Energy: 0.5850955852408005
Energy: 0.3424308342960912
Energy: 0.740764086570117
Energy: 0.20618228357785034
Energy: 0.7407640865681482
Energy: 0.2901858795654199
Energy: 0.6914592077109437
Energy: 0.24917460265721914
Energy: 0.6914592077109437
Energy: -2.8102643046929714
Energy: 0.45997364621345693
Energy: 0.35470839962816897
Energy: 0.4599736461849075
Energy: 0.30193827705869203
Energy: 0.44968599271147397
Energy: 0.2045749151535182
Energy: 0.44968599271344284
Energy: -0.04136807140856228
Energy: -0.022695249340620033
Energy: 0.31846236865921773
Energy: -0.022695249338651108
Energy: 0.2721048548609021
Energy: 0.1275359986157424
Energy: -2.690684185724869
Energy: 0.1275359986186958
Energy: 0.28621821646440104
Energy: -0.04779531511550991
Energy: -0.000619859502282144
Energy: -0.04779531421808269
Energy: -2.62970309725164
Energy: -0.004613694782587862
Energy: -2.5681717088367586
Energy: -0.004613694777665549
Energy: 0.3405402978564037
Energy: 0.4885045916775266
Energy: 0.3016548135473804
Energy: 0.48850431347875833
Energy: 0.3620510762355294
Energy: 0.45952815515349443
Energy: 0.2171717539168325
Energy: 0.4595281551554633
Energy: 0.35178546009713724
Energy: 0.7437921828340409
Energy: 0.3287443379719358
Energy: 0.7437921828350254
Energy: 0.2395450953061636
Energy: 0.6674803505356481
Energy: 0.3377774711384351
Energy: 0.6674803505268326
Energy: 0.20461014748190196
Energy: 0.7367304655528766
Energy: 0.3529929949796633
Energy: 0.7367304655528766
Energy: 0.19775873131849586
Energy: -2.987941334009664
Energy: 0.2483510617279789
Energy: -2.9365407744234235
Energy: 0.35569322126932185
Energy: 0.5078701687908846
Energy: 0.30951368609199625
Energy: 0.5078701688262806
Energy: 0.26752527286944294
Energy: 0.5143592440991035
Energy: 0.3136389213264841
Energy: 0.5143592441010725
Energy: 0.3173125018670147
Energy: -0.03012698886041724
Energy: 0.021031389781646998
Energy: -0.030126988861401704

minimum gb energy = -2.987941334009664 eV
minimum distance =  2.27921264719279 Angstroms
sigma value = 9


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

Energy: 0.49272423937585474
Energy: 0.4520935107257232
Energy: 0.3247956047179893
Energy: -1.106211268957517
Energy: -1.1887482634932591
Energy: 0.45834086292151593
Energy: 0.4362423160012895
Energy: 0.458340862889834
Energy: -1.3813668634089693
Energy: 0.14849290466532897
Energy: -1.4149546336081362
Energy: 0.14849263452815029
Energy: -1.3946922063274556
Energy: 0.6056485184332898
Energy: 0.3664362231218089
Energy: 0.6056485167323418
Energy: 0.5428399654171212
Energy: 0.6518811893954005
Energy: 0.5061525026234145
Energy: 0.6518811893965749
Energy: 0.31796363239533215
Energy: 0.6083685781848652
Energy: 0.3949306497337714
Energy: 0.6083685779266055
Energy: 0.6017835885367409
Energy: 0.8441921024513717
Energy: 0.5133436273253125
Energy: 0.8441921024501973
Energy: 0.5154163868063012
Energy: 0.8008937713613713
Energy: 0.3136907720471832
Energy: 0.800893771321442
Energy: 0.5092244176857184
Energy: 0.6503206012374605
Energy: 0.42557616829195205
Energy: 0.6503206012351118
Energy: 0.35627873300737667
Energy: 0.661682647775372
Energy: 0.4303304115013941
Energy: 0.661682647775372
Energy: 0.445632222667932
Energy: 0.18332703911951115
Energy: -1.4226306318031117
Energy: 0.18332703910659282
Energy: -1.3623450421452166
Energy: 0.15463863043756318
Energy: 0.05810340334855329
Energy: 0.15463863043873755
Energy: -1.4656231450371724
Energy: 0.1633541044173501
Energy: 0.28264463032035764
Energy: -1.1990555550571205
Energy: -1.4384910289015984
Energy: -1.3761160371183812
Energy: 0.32045249209790555
Energy: -1.3466185948034304
Energy: 0.5331128114400301
Energy: 0.6781928769236119
Energy: 0.5005154460916063
Energy: 0.678192878189047
Energy: 0.39079549403272856
Energy: 0.616030774281828
Energy: 0.3952850495484547
Energy: 0.6160307742912231
Energy: 0.602096958286396
Energy: 0.8218906056189061
Energy: 0.5126970513311307
Energy: 0.8218906056236036
Energy: 0.6055522008203904
Energy: 0.8282832745347787
Energy: 0.3246735083777703
Energy: 0.8282832745136396
Energy: 0.5140223236512059
Energy: 0.6570602231440098
Energy: 0.41498929074088986
Energy: 0.6570602231440098
Energy: 0.5367610356316274
Energy: 0.6335030753722717
Energy: 0.4202000003946416
Energy: 0.6335030752513626
Energy: 0.44550378662423606
Energy: 0.2053858502092143
Energy: 0.25040519419696383
Energy: 0.20538585021273748

minimum gb energy = -1.4656231450371724 eV
minimum distance =  2.29625107967739 Angstroms
sigma value = 25


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

Energy: 0.8731865591208167
Energy: 0.6349957856458508
Energy: 0.591782509554751
Energy: 0.40751336407775246
Energy: 0.3633089269848089
Energy: 0.6374740267357781
Energy: 0.4532748618085601
Energy: 0.6374740267357781
Energy: 0.5041302891300485
Energy: 0.4209632357680557
Energy: 0.6404385852242209
Energy: 0.42096323582756967
Energy: 0.4848593409787474
Energy: 0.6460707590612081
Energy: 0.6550645255843673
Energy: 0.6460707590626605
Energy: 0.7601408545000596
Energy: 0.8124355036836984
Energy: 0.6922005748052769
Energy: 0.812435503682246
Energy: 0.49902256238587317
Energy: 0.8171061530907172
Energy: 0.6423359650337869
Energy: 0.8171061530907172
Energy: 0.8264492535566624
Energy: 0.8059903861207013
Energy: 0.7459196470276227
Energy: 0.8059903861207013
Energy: 0.657254226052076
Energy: 0.784538130626269
Energy: 0.599358356995353
Energy: 0.7845381306349832
Energy: 0.4801043622250622
Energy: 0.42201089209610754
Energy: 0.3702596626248841
Energy: 0.42201089206418846
Energy: 0.48454905519077324
Energy: 0.4499106439677075
Energy: 0.39171387508550937
Energy: 0.4499106439996595
Energy: 0.6279772129951556
Energy: 0.6414940207027233
Energy: 0.5036817726968353
Energy: 0.6414940206838426
Energy: 0.5386015600428948
Energy: 0.4608724394473101
Energy: 0.4988247309393385
Energy: 0.46087243935587713
Energy: 0.642879924097275
Energy: 0.8294807433898158
Energy: 0.7605556390584141
Energy: 0.8294807433912681
Energy: 0.5896446816618501
Energy: 0.8546472818823297
Energy: 0.4949274090402864
Energy: 0.8546472818823297
Energy: 0.7503059915108703
Energy: 0.8044017856128753
Energy: 0.6585476699393287
Energy: 0.8044017856128753
Energy: 0.6008727695152589
Energy: 0.8218158282632912
Energy: 0.6592739489367384
Energy: 0.8218158282676483
Energy: 0.378814345698161
Energy: 0.42726817584392235
Energy: 0.47823355827254316
Energy: 0.42726817585844606

minimum gb energy = 0.3633089269848089 eV
minimum distance =  2.29242139205445 Angstroms
sigma value = 17


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

Energy: 0.7673056404263797
Energy: 0.17516082632174348
Energy: -0.48171807661603777
Energy: -0.5421773934363602
Energy: 0.3058746730454878
Energy: 0.5239424598604143
Energy: -0.461973654825077
Energy: 0.5239424598472535
Energy: 0.48373695884452195
Energy: 0.4168743596317964
Energy: 0.36992681374900754
Energy: 0.4168743593925466
Energy: 0.49252604189158383
Energy: 0.8340699604409592
Energy: 0.5007847370711945
Energy: 0.8340699604458945
Energy: -0.3722992113258081
Energy: 0.8691446552268045
Energy: 0.5163242740824181
Energy: 0.8691446552284496
Energy: 0.4912438110380308
Energy: 0.9825903507456302
Energy: 0.5130176168078424
Energy: 0.9825903507464527
Energy: 0.4328083067695851
Energy: 0.5133956479479848
Energy: 0.537179753036699
Energy: 0.5133956479455172
Energy: 0.44435594734167866
Energy: 0.5386794314388028
Energy: -0.15075965201907848
Energy: 0.5386794314379802
Energy: 0.29384495014216017
Energy: -0.3266009829039224
Energy: 0.4274350963214267
Energy: -0.32660098131711174
Energy: 0.4495096377935213
Energy: -0.22914113645710452
Energy: 0.47578020244335095
Energy: -0.22914113794117125
Energy: 0.5252424862882173
Energy: 0.8066085797664511
Energy: 0.5392919340730902
Energy: 0.8066085797541129
Energy: 0.4810016926529415
Energy: 0.057395636225699743
Energy: 0.5934885658349287
Energy: 0.061716187776552564
Energy: 0.5237263048950431
Energy: 0.8369649185534981
Energy: 0.6521397035360442
Energy: 0.8369649185526755
Energy: -0.2644495754197924
Energy: 0.7123909793302261
Energy: 0.5054453435339048
Energy: 0.7123909793302261
Energy: -0.11470073823341562
Energy: 0.3700676803070516
Energy: 0.4591431907361684
Energy: 0.3700676803054065
Energy: -0.4426527573885135
Energy: -0.24329604168884902
Energy: 0.47004147394012735
Energy: -0.2432960274124511
Energy: 0.49301360240196224
Energy: 0.5145376747793571
Energy: -0.4347098939125003
Energy: 0.5145376747752444
Energy: 0.42408364612199767
Energy: 0.5432442471139088
Energy: 0.5368840806606645
Energy: 0.5432442471147314
Energy: 0.5124470625694729
Energy: 0.23798067676627907
Energy: 0.5035265963427608
Energy: 0.2379808820106519
Energy: 0.6933470753114795
Energy: 0.9255908282382349
Energy: 0.5254505307114885
Energy: 0.9255908282398799
Energy: 0.5443245811684666
Energy: 0.48446239712169986
Energy: 0.4780390581810834
Energy: 0.48446239683967746
Energy: 0.37365254531484576
Energy: -0.14948172027653464
Energy: 0.3744872655723441
Energy: -0.14948146679044103
Energy: 0.47835949188655236
Energy: -0.23008838214422697
Energy: -0.36231914097718626
Energy: -0.23008838128668146
Energy: 0.4168459408835061
Energy: -0.22117321484934518
Energy: 0.4832580052740303
Energy: -0.22117321485016775
Energy: 0.49759944542826723
Energy: 0.8685800255797275
Energy: 0.45956956776364094
Energy: 0.8685800255764372
Energy: 0.5584584891432662
Energy: 0.7046354107794431
Energy: 0.5134445841261095
Energy: 0.704635411991358
Energy: 0.5410895328962054
Energy: 0.9127128143994293
Energy: 0.49785553615050604
Energy: 0.9127128143977841
Energy: 0.5767156835069166
Energy: 0.8203760843948372
Energy: 0.27490509459074375
Energy: 0.8203760843964822
Energy: -0.44808456651970174
Energy: 0.7510386780377146
Energy: 0.5289019868064128
Energy: 0.7510386777927069
Energy: 0.462959423623758
Energy: 0.35534507409772464
Energy: -0.2658896646936171
Energy: 0.3553450739267091

minimum gb energy = -0.5421773934363602 eV
minimum distance =  2.27143322995442 Angstroms
sigma value = 53


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

Energy: 1.2759839034566993
Energy: 0.7442678135869123
Energy: 0.7952893416484124
Energy: 0.625060721762661
Energy: 0.60592833888404
Energy: 0.6204128291683598
Energy: 0.6311111919541603
Energy: 0.620412829270574
Energy: 0.6518476344279401
Energy: 0.6156082631983985
Energy: 0.7377938596582461
Energy: 0.6156082632021858
Energy: 0.6459445594159035
Energy: 0.7449748683220004
Energy: 0.6109121553640995
Energy: 0.744974868318213
Energy: 0.6247568063814131
Energy: 0.744527852076318
Energy: 0.7470469415943971
Energy: 0.7445278520782116
Energy: 0.6271317913784124
Energy: 0.7809728973377251
Energy: 0.7464847792851991
Energy: 0.7809728973377251
Energy: 0.5790700608836213
Energy: 0.6130020310358542
Energy: 0.65973508209322
Energy: 0.6130020310320669
Energy: 0.598660944832996
Energy: 0.5995650855359658
Energy: 0.6179503789661295
Energy: 0.5995650855246039
Energy: 0.6554001710663848
Energy: 0.6213464075413981
Energy: 0.7280659577962627
Energy: 0.6213464075376107
Energy: 0.6750037658890565
Energy: 0.6221338882796136
Energy: 0.6274412546417198
Energy: 0.6221338884764672
Energy: 0.6460934001805357
Energy: 0.7817069233419999
Energy: 0.7479201157077658
Energy: 0.7817069233419999
Energy: 0.6545615793276639
Energy: 0.7423133314790752
Energy: 0.8139867763677737
Energy: 0.7423133314771816
Energy: 0.5892484769401097
Energy: 0.5842585044173995
Energy: 0.6444531534185534
Energy: 0.5842585043984629

minimum gb energy = 0.5790700608836213 eV
minimum distance =  2.33406916803678 Angstroms
sigma value = 9


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

Energy: 0.39552582570979317
Energy: 0.46306830006549404
Energy: 0.5153199150119243
Energy: -0.01664889351850087
Energy: -0.6374624678025063
Energy: 1.1080728568156952
Energy: 0.4687557686830171
Energy: 1.1080728568149942
Energy: 0.5228015939972558
Energy: 0.5294825773650106
Energy: -0.24043912572222598
Energy: 0.5294825773678141
Energy: -0.8025016001089882
Energy: 0.529495592217268
Energy: 0.3885203274390717
Energy: 0.5294955921745149
Energy: -0.7157235501456782
Energy: 0.8425855818440035
Energy: -0.6053417338154122
Energy: 0.8425855817627659
Energy: -0.44289499584931485
Energy: 0.8670558903870689
Energy: -0.6598044811495298
Energy: 0.8670558903822265
Energy: 0.4769347065074561
Energy: -0.3722986252887805
Energy: -0.519321854382321
Energy: -0.3722986617852221
Energy: 0.5712451787840143
Energy: 0.3176757546982386
Energy: 0.3117616178131478
Energy: 0.31767575469543513
Energy: 0.49306419651589534
Energy: 0.8044417864325076
Energy: 0.5040934548557813
Energy: 0.8044418012689475
Energy: 0.8050955425729442
Energy: 0.7711186902439422
Energy: -0.65599471680944
Energy: 0.771118404078177
Energy: -0.8456715946443918
Energy: -0.7410912908140606
Energy: 0.563220930294676
Energy: -0.7410912918697649
Energy: 0.5102342467700517
Energy: 0.4914047931049454
Energy: 0.29299467069648377
Energy: 0.4914047931189628
Energy: 0.5032929689418976
Energy: -0.23104862587527844
Energy: -0.6502986268977361
Energy: -0.2310479891671295
Energy: 0.4509997733360025
Energy: -0.8351124969001477
Energy: -0.7242686910777187
Energy: -0.8317300626653615
Energy: -0.6571112370850388
Energy: 0.7584735848822647
Energy: 0.49524272680771525
Energy: 0.7584735793520027
Energy: 0.4618076039307176
Energy: 0.9577090553144895
Energy: 0.4942521821772377
Energy: 0.9577090553144895
Energy: -0.24863949561346188
Energy: 1.0401276372079071
Energy: 0.48755258106395627
Energy: 1.040127637208608
Energy: -0.3923735549879667
Energy: -0.6554472212553634
Energy: 0.5530741601843835
Energy: -0.6554472239469665
Energy: -0.7071583864899911
Energy: 1.010244229331262
Energy: -0.28490105184485504
Energy: 1.0102442293291594
Energy: -0.3362484137588644
Energy: 0.522477944583165
Energy: 0.5319961933992866
Energy: 0.522477944582464
Energy: 0.4295040571882542
Energy: 0.5280143580620305
Energy: -0.678703949701582
Energy: 0.5280143580634321
Energy: -0.6664093512574871
Energy: 0.757507388710577
Energy: -0.7274606041570255
Energy: 0.7575073889473443
Energy: -0.6619902692588429
Energy: -0.19048406521576203
Energy: 0.4807102865728026
Energy: -0.5627275048242256
Energy: 0.3786655302069768
Energy: -0.3387985212411366
Energy: 0.48573388333090756
Energy: -0.33879935282711543
Energy: -0.5601217725983604
Energy: 0.2753488854855316
Energy: 0.5411813710394267
Energy: 0.27534888548833514
Energy: 0.5034634902743392
Energy: 0.8301117986201705
Energy: 0.5300373924797044
Energy: 0.8301118012710593
Energy: -0.37811994069980137
Energy: 0.8413915290341649
Energy: 0.7997833404455069
Energy: 0.8413915295833936
Energy: 0.5671493435696752
Energy: -0.8219627492835899
Energy: -0.8545067375490379
Energy: -0.8257197566007911
Energy: -0.18746518527223066
Energy: -0.49227386734105366
Energy: 0.4574372342567303
Energy: -0.49227386735016504
Energy: -0.46326723195671593
Energy: -0.8854898116673492
Energy: 0.4914573434532457
Energy: -0.8854898119727382
Energy: 0.5284977571574704
Energy: -0.6625497152153188
Energy: 0.4321848266218879
Energy: -0.6625578235345604
Energy: 0.5389760398738045
Energy: 0.7627987606851513
Energy: -0.5115033331797607
Energy: 0.7627981935825717
Energy: 0.49179585637113504
Energy: 0.9740312057742221
Energy: 0.4655353226942858
Energy: 0.9740312057398794
Energy: 0.5447730537796142
Energy: 1.0355754328793907
Energy: 0.5647254080557433
Energy: 1.0355754328751856
Energy: 0.5531235152544366
Energy: -0.65348542182638
Energy: -0.655749837095451
Energy: -0.6534854218634625

minimum gb energy = -0.8854898119727382 eV
minimum distance =  2.25663756820751 Angstroms
sigma value = 73


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

Energy: 0.49366692291931813
Energy: 0.5258864038844616
Energy: -0.40124721477900227
Energy: -0.4319365112244561
Energy: -0.08580601433953333
Energy: 0.9103125428872619
Energy: 0.40252899180349344
Energy: 0.91031254288615
Energy: 0.4472652868345219
Energy: 0.45550712955694383
Energy: 0.4424113320867046
Energy: 0.4555071295513839
Energy: -0.4925222946022137
Energy: 0.6387699405510222
Energy: 0.41852843437007353
Energy: 0.6387697346751373
Energy: -0.3780537052094678
Energy: 0.8188394813598483
Energy: 0.2314566253895906
Energy: 0.8188394812387172
Energy: -0.3523961635249719
Energy: -0.022057139094228146
Energy: -0.1706059145230385
Energy: 0.019533475581723317
Energy: 0.46600869372384507
Energy: 0.5771218717065411
Energy: 0.25314679743218216
Energy: 0.5771218717420995
Energy: 0.3837000752444457
Energy: 0.4836995949999477
Energy: 0.5339339952998863
Energy: 0.4836995949899398
Energy: 0.3654285408252782
Energy: 0.9043012895351858
Energy: 0.3280983607447591
Energy: 0.9043012895340738
Energy: -0.15531650594123536
Energy: 0.7924323162116774
Energy: 0.457635135435991
Energy: 0.7924323188125729
Energy: 0.4893512357095194
Energy: 0.5267647697502685
Energy: 0.36205322873725637
Energy: 0.5267647697524925
Energy: 0.49458885409706305
Energy: 0.5362206535133951
Energy: 0.564173360288774
Energy: 0.5362206534845086
Energy: 0.5340547076395651
Energy: 0.703602665088571
Energy: 0.37804854711237246
Energy: 0.703602665089683
Energy: 0.5400722651119318
Energy: 0.6465582655173792
Energy: 0.5512602683064186
Energy: 0.646558265979765
Energy: 0.45991671347731883
Energy: 0.6903291308771781
Energy: 0.4897672005424207
Energy: 0.6903291308782901
Energy: 0.21950185025664393
Energy: 0.7893281285082894
Energy: 0.4803694175132644
Energy: 0.7893281281437332
Energy: 0.43848009529637966
Energy: 0.195364817474008
Energy: 0.5449215671359702
Energy: 0.19536510278858055
Energy: -0.3402456208263326
Energy: -0.6079582786393735
Energy: 0.35741856737736577
Energy: -0.5042407515269657
Energy: -0.3326985611108153
Energy: -0.18374860773502144
Energy: 0.5136278094272376
Energy: -0.2305171453932781
Energy: 0.32323448883653305
Energy: 0.14627710144924855
Energy: 0.4179703528520728
Energy: 0.13492834872413
Energy: -0.2954995442924663
Energy: 0.6749050906237899
Energy: 0.5131496742660481
Energy: 0.6749050901825318
Energy: 0.5888608398661256
Energy: -0.23575238949009047
Energy: 0.42787270202234834
Energy: -0.2357523872648709

minimum gb energy = -0.6079582786393735 eV
minimum distance =  2.24666749417519 Angstroms
sigma value = 7


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

Energy: -0.18491813185146277
Energy: -0.15026253391448066
Energy: -0.3307173494114864
Energy: -0.3175256497259946
Energy: -0.523341265155827
Energy: 0.15138815504513123
Energy: -0.478030991215952
Energy: 0.15203919116141615
Energy: -0.20368085619553541
Energy: 0.660714959048569
Energy: -0.21722455016056352
Energy: 0.6607149590155804
Energy: -0.3462861245104203
Energy: -0.35272912918878957
Energy: -0.3506064753880852
Energy: -0.3527291292320001
Energy: -0.24660414271572037
Energy: -0.35057436459774244
Energy: 0.47791035161490075
Energy: -0.35057441935386546
Energy: -0.5902663472227653
Energy: 0.7150602778876334
Energy: 0.48030512584183593
Energy: 0.7150602790823032
Energy: 0.029548412819488223
Energy: -0.09314522203185543
Energy: -0.5082809164888984
Energy: -0.19745564844555002
Energy: -0.29455527676221266
Energy: -0.5701747751555042
Energy: -0.3047520537920289
Energy: -0.5701747752686593
Energy: -0.562954522398415
Energy: -0.6165315885162496
Energy: -0.6899662598606087
Energy: -0.6165309928446715
Energy: -0.322248776612803
Energy: 0.882584682695426
Energy: -0.6679712026641669
Energy: 0.882584682695426
Energy: -0.5450475897923645
Energy: -0.29413578076630587
Energy: -0.33151025828245184
Energy: -0.29414182838870767
Energy: -0.29083520418670705
Energy: -0.3716195531893398
Energy: 0.5669193237729907
Energy: -0.371619553034511
Energy: -0.33259007992380085
Energy: 0.6912903292929
Energy: -0.6872909348891861
Energy: 0.6912903293156669
Energy: -0.3342791582629272
Energy: -0.2580994608830857
Energy: -0.6218130368269016
Energy: -0.25809946577874393
Energy: -0.5174841332611534
Energy: 0.7373535320212983
Energy: -0.6210863654740285
Energy: 0.7373535318358396
Energy: 0.009911423983308297
Energy: -0.4095297426539583
Energy: -0.2605563629876866
Energy: -0.40952974177445034
Energy: -0.18289194240673215
Energy: -0.6651195075503009
Energy: -0.44578735748064185
Energy: -0.6652080449376055
Energy: -0.2525642991673645
Energy: 0.9291212303410306
Energy: -0.09970570465100459
Energy: 0.9291212303300225
Energy: -0.16918874248700863
Energy: -0.5445920092028772
Energy: -0.5462706981738973
Energy: -0.5445922609495455
Energy: -0.587676141471078
Energy: -0.28624061872308376
Energy: -0.4260016764748769
Energy: -0.28624060549951347
Energy: -0.6416484014059982
Energy: 0.7785185238562051
Energy: 0.4736683642332295
Energy: 0.7785185238514873
Energy: -0.06123629009249517
Energy: 0.721850386784118
Energy: -0.5115127226497658
Energy: 0.7218503867471979
Energy: -0.05518084300792417
Energy: -0.3190651845319776
Energy: -0.1474478148454516
Energy: -0.3190666242045591
Energy: -0.2899694304587966
Energy: -0.3117557973115381
Energy: -0.7754248352028543
Energy: -0.3117557950322801
Energy: -0.289815052996695
Energy: -0.655426083100076
Energy: -0.6598804896817984
Energy: -0.6554178788611028
Energy: -0.3503274783424796
Energy: -0.0839891879118487
Energy: -0.6429551000581263
Energy: -0.07313100992178734
Energy: -0.548101250424909
Energy: -0.49676791573708406
Energy: 0.015250304809698103
Energy: -0.49676787768310526
Energy: -0.5595364009135586
Energy: 0.09543011043737838
Energy: -0.5812425510025855
Energy: 0.09568037273768558
Energy: -0.2919515441956356
Energy: -0.4588708986844071
Energy: -0.3463081757718582
Energy: -0.458870886879458
Energy: -0.6187374829009119
Energy: 0.7842179767292043
Energy: -0.6143237466165226
Energy: 0.7842179767323495
Energy: 0.009992943110719401
Energy: -0.29611843147550365
Energy: -0.5758390001511204
Energy: -0.29611843017632805

minimum gb energy = -0.7754248352028543 eV
minimum distance =  2.25805096185479 Angstroms
sigma value = 29


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

Energy: 0.8902702666924367
Energy: 0.8675819520652057
Energy: -0.41049119183682936
Energy: -0.343537957343105
Energy: 0.547588580428778
Energy: -0.35141965643780604
Energy: -0.3563868316947933
Energy: -0.3514197649739894
Energy: -0.362528560299659
Energy: -0.33770461728939083
Energy: 0.7172638542494323
Energy: -0.34795176915574905
Energy: 0.5408064957546816
Energy: -0.03415809103237947
Energy: -0.46481672982621985
Energy: -0.034158091093152446
Energy: -0.014944233547711494
Energy: -0.30605196550753605
Energy: 0.5354280535458752
Energy: -0.3060519747081142
Energy: -0.054137295735710356
Energy: -0.29627591983407997
Energy: 0.5370413388712507
Energy: -0.2962749904695976
Energy: 0.7208711352442908
Energy: -0.27109436277858756
Energy: -0.4339207045356397
Energy: -0.27109436263993875
Energy: -0.3601963130697581
Energy: -0.2860200693023238
Energy: 0.5487683444522921
Energy: -0.28602006933686425
Energy: 0.5463496812833812
Energy: -0.42527563025893944
Energy: -0.3410317651495824
Energy: -0.4273687175101745

minimum gb energy = -0.46481672982621985 eV
minimum distance =  2.27973803938264 Angstroms
sigma value = 5


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

Energy: 0.3686635926681827
Energy: -0.35169651914589933
Energy: -0.9685105358032193
Energy: -1.5988559705305212
Energy: -0.387411127483069
Energy: -0.5585459440431679
Energy: -0.4254318575030837
Energy: -0.5585602261552576
Energy: 0.2372708617594024
Energy: 0.016081717709244738
Energy: -0.44889725688270016
Energy: 0.016395523524211402
Energy: -0.3944625311526517
Energy: 0.2232451149417356
Energy: -0.49666882262382406
Energy: 0.22324511513768688
Energy: -0.478404438423726
Energy: -0.4936477508128493
Energy: 0.0658516438827525
Energy: -0.4990629997909575
Energy: -0.35047408112460154
Energy: -0.41572507931844027
Energy: 0.0666340842963441
Energy: -0.41536578462679696
Energy: -0.49127083115249653
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Energy: -0.3392750057854018
Energy: -0.5229114362625529
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Energy: 0.08910894469533132
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Energy: -0.5757122416740905
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Energy: -0.0521445653851962
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Energy: -0.32064493116578163
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Energy: -0.33346283829933393
Energy: -0.046414610291693637
Energy: -0.30898938144205107
Energy: -0.5580509417704045
Energy: -0.5861614304726476
Energy: -0.4459995964301802
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Energy: -0.5901290098086884
Energy: -0.588698246705507
Energy: -0.2058977649323233
Energy: -0.5886982427521118
Energy: -0.520753082915388
Energy: -0.43814368443996465
Energy: 0.02562964607184367
Energy: -0.43137358950107274
Energy: -0.12326380322229064
Energy: 0.11451314126827185
Energy: -0.5203845335885531
Energy: 0.11451558320194545
Energy: -0.22238456068810084
Energy: -0.48514715291551425
Energy: -0.5292606155824504
Energy: -0.485149292608616
Energy: -0.4122500823685095
Energy: -0.49799005923913536
Energy: -0.48706814082357697
Energy: -0.4979900595509559
Energy: -0.03681728895698684
Energy: -0.5153272614911473
Energy: -0.5815742422074973
Energy: -0.5153273394914477

minimum gb energy = -1.5988559705305212 eV
minimum distance =  2.20644475299036 Angstroms
sigma value = 1


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

Energy: 0.3510818683592939
Energy: -0.18039639971156524
Energy: -0.34575074978324977
Energy: -0.27842441612057905
Energy: -0.08357350126606936
Energy: -0.2017678412351793
Energy: -0.02946514277612322
Energy: -0.2017678659137598
Energy: -0.19929774737068223
Energy: 0.334374166506234
Energy: -0.39296084739139464
Energy: 0.3154576177289976
Energy: -0.006472466742189418
Energy: 0.4920010669643874
Energy: -0.2597059357748423
Energy: 0.49200082439955023
Energy: -0.16202349594531398
Energy: -0.3343557700430914
Energy: 0.12742948117629474
Energy: -0.33435565596482214
Energy: -0.2811542674241702
Energy: -0.28433042214045195
Energy: 0.0615345866364866
Energy: -0.28433042269063147
Energy: -0.30101959284104796
Energy: -0.23452559743828508
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Energy: -0.23452559743520413
Energy: -0.5744042122819378
Energy: 0.33126424434952
Energy: 0.020842049031881804
Energy: 0.3312642750948262
Energy: -0.16576760754358968
Energy: -0.05483153548029974
Energy: 0.03526704773259109
Energy: -0.05072173362178387
Energy: 0.10364641461373987
Energy: 0.391618494606102
Energy: -0.43413290069213734
Energy: 0.39161873321572455
Energy: -0.22730724891075843
Energy: -0.2749637301839064
Energy: -0.5331538372944217
Energy: -0.274963730260883
Energy: 0.39320575363853383
Energy: -0.30717151465725584
Energy: -0.25770274529091447
Energy: -0.30717040675070567
Energy: 0.8135020593903556
Energy: -0.6011990896740045
Energy: -0.2655843534941927
Energy: -0.5982689387402996
Energy: -0.08147106621235674
Energy: 0.6158584223015543
Energy: -0.2698940389667295
Energy: 0.6158584223005272
Energy: -0.10544712628765159
Energy: -0.1620165754267992
Energy: -0.06656926889251082
Energy: -0.16201657543809594
Energy: -0.18006447183459692
Energy: 0.003017645060692972
Energy: -0.2952905004287149
Energy: 0.0030175634409606894
Energy: -0.3472140307252671
Energy: -0.4091611795878346
Energy: 0.09298390975875519
Energy: -0.4091613672564177
Energy: -0.4788448874016486
Energy: -0.3819166838905262
Energy: 0.029510220107849164
Energy: -0.3819189912528713
Energy: -0.33288185574268636
Energy: -0.3118352065999944
Energy: 0.1999662504300096
Energy: -0.3118353417753559
Energy: -0.3328637079802876
Energy: 0.33525931993987895
Energy: 0.04298588528889805
Energy: 0.3352593162680166
Energy: 0.27510880291930445
Energy: 0.02845030390181884
Energy: -0.1573768526844965
Energy: 0.028451954824620707
Energy: 0.3178469451037372
Energy: -0.2909477463798892
Energy: -0.2889943576355126
Energy: -0.29094774624848285
Energy: 0.03362928489444379
Energy: -0.32726556939976337
Energy: -0.29042139127760486
Energy: -0.32728110207862016
Energy: 0.8180727267648545
Energy: -0.5746816861321927
Energy: -0.570550077338928
Energy: -0.5746814050923214

minimum gb energy = -0.6011990896740045 eV
minimum distance =  2.22301782880204 Angstroms
sigma value = 17


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

Energy: -0.330670007648695
Energy: -1.1494610275895771
Energy: -1.381820046241821
Energy: -1.2671703597838886
Energy: -1.177083875490038
Energy: 0.6011695130253923
Energy: -1.0854586733476435
Energy: 0.6011695130209492
Energy: -0.8333904235222983
Energy: 0.4726744686418997
Energy: -0.7054329302459132
Energy: 0.472674427986226
Energy: -0.39242193065511216
Energy: -0.5718021679385532
Energy: -0.9965507993641702
Energy: -0.5654047358782172
Energy: -0.28922776173468845
Energy: -1.2858733640385982
Energy: -0.13155126517470875
Energy: -1.2917293414153386
Energy: -1.2719530414779823
Energy: -1.2771885717700597
Energy: -0.3342155448992027
Energy: -1.2771884692413837
Energy: -1.1631729977508944
Energy: -1.336669506257382
Energy: -1.2969233062993664
Energy: -1.3366695060911342
Energy: -1.2835420563433833
Energy: -1.2565871879681374
Energy: -0.5071205311980733
Energy: -1.2608704790821061
Energy: -0.8865269275660611
Energy: -0.6820792152260844
Energy: -0.6914810024183361
Energy: -0.6820550582550108
Energy: -0.8530973304659093
Energy: -0.9534379888823091
Energy: -1.1136825963612316
Energy: -0.9534672818319684
Energy: -0.9175084744810293
Energy: -1.2328208829148666
Energy: -1.0500922182891423
Energy: -1.2272979416535823
Energy: -0.5075056301265778
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Energy: -0.5430574502335475
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Energy: -0.1310196175175369
Energy: -1.1390277896767718
Energy: -1.1742674916027074
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Energy: -1.0791163349807882
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Energy: -0.22290312971382367
Energy: -1.0231990424078545
Energy: -1.0832491036943486
Energy: -1.0231990423165078
Energy: -0.6948295550896988
Energy: -0.42884183267705994
Energy: -1.0357180618401212
Energy: -0.4288418576708256
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Energy: -0.49521707546119476
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Energy: -1.0694405491756884
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Energy: -1.2463601980801542
Energy: -0.9233533685337928
Energy: -1.0901105746410948
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Energy: -1.0902863567250114
Energy: -0.7129194864772437
Energy: -0.5321145862188745
Energy: -0.9054295754761924
Energy: -0.5319770091963627
Energy: -0.9520602637607031
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Energy: -1.1560892355993957
Energy: -0.29365564912452274
Energy: -1.2693260224879803
Energy: -1.1405704665520233
Energy: -1.2693261169843124
Energy: -0.3271118471319024
Energy: -1.29306739444379
Energy: -1.3051633612450169
Energy: -1.293075566081983
Energy: -1.2406200442604967
Energy: -1.2653886588770198
Energy: -1.2757287531851433
Energy: -1.2688351629661057
Energy: -0.814956563116987
Energy: -1.219773331596699
Energy: -1.2446611664303902
Energy: -1.219737062569216
Energy: -0.9017770190183015
Energy: -0.9452823665840788
Energy: -0.6532131241810574
Energy: -0.9322471735703279
Energy: -0.7753895199774332
Energy: -0.8528539831811157
Energy: -0.5788359613941519
Energy: -0.8547144494795003
Energy: -0.876148218913587
Energy: -1.12550170659825
Energy: -0.16793773536969173
Energy: -1.1277280744504616
Energy: -0.9343378560221506
Energy: -1.2940206887115473
Energy: -0.15609761004611047
Energy: -1.294017814910045
Energy: -1.0952051586718112
Energy: -1.1427323247916286
Energy: -0.06431182620795077
Energy: -1.1387296079497187
Energy: -1.1284067794455335
Energy: -1.1365644888320554
Energy: -1.1015886122947618
Energy: -1.1365639199069864
Energy: -1.0605489730179336
Energy: -0.785230298520539
Energy: -0.22589092647170106
Energy: -0.78529585313783
Energy: -0.9846035622197836
Energy: -0.5236832376322332
Energy: -0.7151220167282044
Energy: -0.523683404436742
Energy: -0.4127415996640254
Energy: -1.215841346252508
Energy: -1.1451434109342837
Energy: -1.1712167679516667
Energy: -1.1934587390045561
Energy: -1.0575134923895333
Energy: -1.2804272522909992
Energy: -1.057513548121526
Energy: -0.3983698080931859
Energy: -1.142732877950113
Energy: -1.0886581729833553
Energy: -1.1693520974300076

minimum gb energy = -1.381820046241821 eV
minimum distance =  2.21293973802951 Angstroms
sigma value = 89


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

Energy: -0.27041423433485523
Energy: -0.18278736122117667
Energy: -0.5675900593480429
Energy: -0.2902728923394635
Energy: -0.2657341251507497
Energy: -0.010200481418721126
Energy: -0.472707005364441
Energy: -0.010200476589481974
Energy: -0.4194769255788146
Energy: -0.24547113030839582
Energy: -0.5659931985046167
Energy: -0.26643909519288556
Energy: -0.45426827039040213
Energy: -0.20262962348182623
Energy: -0.6572514266872631
Energy: -0.20271435680070402
Energy: -0.31916018568510324
Energy: 0.5685799011840952
Energy: -0.0965356815197273
Energy: 0.5685799011392902
Energy: -0.34199752366344555
Energy: -0.4154864085613973
Energy: -0.097605313403573
Energy: -0.41568679901741484
Energy: -0.4665641355807763
Energy: 0.5762126267848324
Energy: -0.5438587708083209
Energy: 0.5762126267831715
Energy: -0.31319211942178704
Energy: -0.5024385958937257
Energy: -0.717495046716449
Energy: -0.5565937093114767
Energy: -0.42145486025136375
Energy: -0.6442354127912806
Energy: -0.547582045263163
Energy: -0.6442351177839889
Energy: -0.368236981528885
Energy: 0.5175365506695515
Energy: -0.5430788082679521
Energy: 0.5175344570363162
Energy: -0.5002848122277566
Energy: 0.23807267105488786
Energy: -0.18016496681810182
Energy: 0.238072621401134
Energy: -0.07672410560563157
Energy: -0.3535114885627362
Energy: -0.6084207929016695
Energy: -0.340723344292673
Energy: -0.10359138014645757
Energy: -0.3602302763303416
Energy: -0.5387745186740481
Energy: -0.3610362744979159
Energy: -0.1881307316453159
Energy: -0.6092630353881904
Energy: -0.37535142398658566
Energy: -0.6088520191862866
Energy: -0.4148397903446449
Energy: -0.5967813039643439
Energy: -0.2516287796440317
Energy: -0.5603946404374075

minimum gb energy = -0.717495046716449 eV
minimum distance =  2.23820371208739 Angstroms
sigma value = 13


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

Energy: -0.7729548246471242
Energy: -1.046511979925425
Energy: -1.75349900878037
Energy: -1.6712002554314391
Energy: -1.3593467547098304
Energy: -0.8792218404348303
Energy: -1.6653353763401673
Energy: -0.8792218404299575
Energy: -1.5788524752503994
Energy: -0.008412760696874948
Energy: -0.8402413352794639
Energy: -0.008332849054595578
Energy: -0.4184130596566541
Energy: -1.4419495909688846
Energy: -1.6590137361002637
Energy: -1.4855820180696004
Energy: -1.5476459572642003
Energy: -1.4083929540702995
Energy: -1.2954095856377312
Energy: -1.4088149026499484
Energy: -0.8717751833028056
Energy: -1.5785000159959126
Energy: -1.3185884312429255
Energy: -1.5633020704367024
Energy: -0.7416009597009512
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Energy: -0.6458277288426852
Energy: -1.7574535464119134
Energy: -1.0860336450577563
Energy: -1.7678536940403018
Energy: -1.774504177548942
Energy: -1.5551947081331532
Energy: -1.066077710564135
Energy: -1.555249584795744
Energy: -1.8001288535794253
Energy: -1.6840053169203524
Energy: -1.5024480886619291
Energy: -1.6839599579505051
Energy: -1.7036819077567307
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Energy: -0.8222043957094817
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Energy: -1.7969978477538102
Energy: -1.5858585391205882
Energy: 0.4526951814519151
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Energy: -0.969877348875826
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Energy: -1.759813328760508
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Energy: -1.0198793459295639
Energy: -1.3399827108623454
Energy: -1.0198793467123195
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Energy: -1.7039187688886595
Energy: -1.29100128354667
Energy: -1.1027978807970418
Energy: -1.6452223559616306
Energy: -1.6557985724120658
Energy: -1.6951977349497496
Energy: -1.5401582528905198
Energy: -1.4459261406222101
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Energy: -0.4908601553455609
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Energy: -1.7133813725735159
Energy: -1.523657471272189
Energy: -1.6868450242838087
Energy: -1.3564166282314123
Energy: -1.5684002005050326
Energy: -1.4551432774848831
Energy: -1.129477220635026
Energy: -0.7264344837428677
Energy: -1.1294374024283123
Energy: -1.602081222273442
Energy: -1.7113344553048773
Energy: -1.502617710217324
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Energy: -1.746965492028864
Energy: -1.0779461333297686
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Energy: -1.7403835866467892
Energy: -1.7470038204836762
Energy: -1.0911641025623717
Energy: -1.6725058858041701
Energy: -1.7562391574967269
Energy: -0.7340649607872226
Energy: -1.5024386831409229
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Energy: -1.765120637239442
Energy: -1.740379468766755
Energy: -1.1867925870801497
Energy: -1.7369772878118512
Energy: -1.0919512343802287
Energy: -1.7821703919570535
Energy: -1.2695824776819697
Energy: -1.7821760271125078
Energy: -0.5846779970109972
Energy: -1.271719238733466
Energy: -1.5913643210387691
Energy: -1.2196626091796043
Energy: -1.5426691649183062
Energy: -1.269774792161617
Energy: -0.5859435351120758
Energy: -1.671132903531477
Energy: -1.310243341534299
Energy: -1.7696753265794518
Energy: -1.46226514370861
Energy: -1.6847049963979233
Energy: -1.269855964628181
Energy: -1.7816008478323277
Energy: -1.7691602983844605
Energy: -1.7815902232926006
Energy: -1.2418138539820192
Energy: -1.4258822482016873
Energy: -1.1626686075299426
Energy: -1.425882216473413
Energy: -1.058056022001032
Energy: -1.823705003000279
Energy: -1.7259225562242289
Energy: -1.8090051795065487

minimum gb energy = -1.823705003000279 eV
minimum distance =  2.19781656415973 Angstroms
sigma value = 37


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

Energy: 0.1788866292499339
Energy: -0.11759497688907845
Energy: -1.1785671926807653
Energy: -1.1532205491291279
Energy: -0.5778007277434188
Energy: -1.1337951810610818
Energy: -1.018906065709726
Energy: -1.1078788614430397
Energy: -0.6475697087250718
Energy: -1.207298559482755
Energy: -1.001187171700545
Energy: -1.1962667085281187
Energy: -0.6315742021899028
Energy: -1.0241302635543967
Energy: -0.9439628880827383
Energy: -1.0017780628872217
Energy: -0.6537940620007078
Energy: -0.8511743702383264
Energy: -0.5611916304744464
Energy: -0.8502199003043861
Energy: -0.4360719485260162
Energy: 0.5798457038757441
Energy: -0.44206450030507705
Energy: 0.579845703679411
Energy: -0.7496254709693698
Energy: -1.1239807498038088
Energy: -0.6795549215796045
Energy: -1.1790128733799048
Energy: -0.9816848777206061
Energy: -1.1619160401430806
Energy: -0.26523872467524984
Energy: -1.1544334358990904
Energy: -1.1992965485263019
Energy: -1.114102213217938
Energy: -0.30095433875908745
Energy: -1.1188087362602133
Energy: -1.1596671152071658
Energy: -0.19741848743741086
Energy: -0.7911064136495299
Energy: -0.15127358188576645
Energy: -1.1677414118885991
Energy: -1.129883479736029
Energy: 0.1965581414814184
Energy: -0.11114531059061027
Energy: -1.0221191097641156
Energy: -1.1312970113248921
Energy: -0.7277138381294684
Energy: -1.1657069411343366
Energy: -0.9799276589606594
Energy: -1.2055658424776785
Energy: -0.5871886001973876
Energy: -1.264411329449378
Energy: -0.9804861116935499
Energy: -1.0068173903593594
Energy: -0.640380909697829
Energy: -0.9920869545564289
Energy: -0.5817615149057435
Energy: -0.851215472090037
Energy: -0.7131587434919548
Energy: -0.862025830999245
Energy: -0.48943101570429604
Energy: 0.5798457042252947
Energy: -0.667687176582204
Energy: 0.5798457036351253
Energy: -0.6973693327244797
Energy: -1.144970925323043
Energy: -0.7496254671194407
Energy: -1.1415713568957235
Energy: -0.29731828378317554
Energy: -1.1661076995471154
Energy: -0.9904831310834276
Energy: -1.1636266146486773
Energy: -0.26397109841401256
Energy: -1.1106737671343772
Energy: -1.1108246915872566
Energy: -1.1395066604887243
Energy: -0.5715241430093543
Energy: -0.1548295750372465
Energy: -1.1620348409233836
Energy: -0.19647989409881178

minimum gb energy = -1.264411329449378 eV
minimum distance =  2.27644851843812 Angstroms
sigma value = 25


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

Energy: -0.643640548496466
Energy: -0.7046482013105645
Energy: -1.5904282060841182
Energy: -1.5009091159985277
Energy: -0.9973906034636468
Energy: -1.4565160715620526
Energy: -1.5151296722954675
Energy: -1.4538813446573742
Energy: -0.8513431296347534
Energy: -1.7350811824385306
Energy: -1.5667442563333465
Energy: -1.7314839656980103
Energy: -0.836480452901453
Energy: 0.2579547663443198
Energy: -1.126772879109984
Energy: 0.257954766349931
Energy: -1.0003351857303757
Energy: -0.2660401954125393
Energy: -1.236546030356129
Energy: -0.2660401930306922
Energy: -1.321604838912308
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Energy: -1.105381294648996
Energy: -0.853959780940905
Energy: -1.1491508142543263
Energy: 0.7549053797998715
Energy: -1.1277636924252596
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Energy: -1.452480631999391
Energy: -0.8466467649858223
Energy: -1.4456620654799974
Energy: -1.4747968043238435
Energy: -1.0392915662294127
Energy: -1.096386681447542
Energy: -1.0399996036722328
Energy: -1.4302209265085055
Energy: -0.7027152843760615
Energy: -1.008514449850379
Energy: -0.702715284562083
Energy: -1.6678684478963994
Energy: -1.7751308322788846
Energy: -0.6201003535634575
Energy: -1.7561768240181048
Energy: -0.7778270903234433
Energy: -0.8482714588788853
Energy: -1.0102640953945787
Energy: -0.8482761345943225
Energy: -0.9503679576252965
Energy: -0.846153460627704
Energy: -0.9816887100135165
Energy: -0.846153551915859
Energy: -0.914220639771744
Energy: -0.6754787296703852
Energy: -0.7079094128386837
Energy: -0.675478729694658
Energy: -1.5125161850267748
Energy: 0.21450672614463837
Energy: -0.9495411653646589
Energy: 0.21451096247762064
Energy: -1.5409641953160198
Energy: -0.9068628696248919
Energy: -0.9949912437973845
Energy: -0.8803028787030968
Energy: -1.0110524559909242
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Energy: -0.945374858917196
Energy: 0.41460626871125716
Energy: -1.1584291089268122
Energy: -0.7993057725678222
Energy: -0.9365211841564947
Energy: -0.8084510543333369
Energy: -1.0870882190055031
Energy: -0.27931257986111646
Energy: -1.2595821058264751
Energy: -0.27931257986018126
Energy: -0.9934798020038083
Energy: -1.165640844200707
Energy: -1.3407560850011893
Energy: -1.1547644616457216
Energy: -0.813151493000773
Energy: -1.45997437182092
Energy: -1.1425185291618332
Energy: -1.4385345893597625
Energy: -1.1674375052930246
Energy: -0.0008913045017501039
Energy: -0.7132632266892126
Energy: -0.0008913043699282938
Energy: -0.7169325132836639
Energy: -0.8847790067607852
Energy: -1.3555749232574839
Energy: -0.8847783813236842
Energy: -0.6283957927229495
Energy: -1.439780757369305
Energy: -1.7048040173774834
Energy: -1.4357313831467855
Energy: -1.0127193728991217
Energy: -1.4173598600992654
Energy: -0.9975028495511532
Energy: -1.4173598602245407
Energy: 0.31554005222240156
Energy: -0.7795139370743466
Energy: -1.6966840198401032
Energy: -0.7795144214624085

minimum gb energy = -1.7751308322788846 eV
minimum distance =  2.2509025372248 Angstroms
sigma value = 41


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

Energy: -0.9228555448479254
Energy: -1.5220377773421807
Energy: -2.2974221278608487
Energy: -2.4309083616418508
Energy: -1.2498753761091548
Energy: -1.6300207225255243
Energy: -1.739502782811797
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Energy: -1.2739913889215488
Energy: -2.0407444099963317
Energy: -2.089095106446733
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Energy: -1.641195576848073
Energy: -1.800597184438904
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Energy: -1.7265860709112295
Energy: -1.847327997952675
Energy: -1.7161395642955308
Energy: -1.4569567989810326
Energy: -0.6547538991474785
Energy: -1.7779082309151932
Energy: -0.5620152887213538
Energy: -1.4488767993852116
Energy: 0.5905146593851812
Energy: -1.3617128759556536
Energy: 0.5905146593859479
Energy: -1.560024827020105
Energy: -1.7938356235766504
Energy: -1.5760108205078462
Energy: -0.6141343505663405
Energy: -1.838333339141909
Energy: -0.5026867322486672
Energy: -1.4410221232131497
Energy: -0.5026868551701251
Energy: -1.985406869841073
Energy: 0.20226789675592177
Energy: -1.5520118799703861
Energy: 0.20226789676972268
Energy: -1.42848185374582
Energy: -1.7654183989775813
Energy: -1.2008587387375724
Energy: -1.8010466462178856
Energy: -1.969195419386154
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Energy: -1.5051667762238303
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Energy: -1.0420134163930659
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Energy: -2.20839149282035
Energy: -1.5013237242860191
Energy: -2.208391492834151
Energy: -1.010998390841551
Energy: -1.8387920749839546
Energy: -1.1492786322559165
Energy: -1.8387920749387532
Energy: -1.48693069414571
Energy: -1.9488871684004836
Energy: -1.6292721178826377
Energy: -1.970702859674219
Energy: -2.0361479980966477
Energy: -2.2973394095196045
Energy: -1.3761489010143046
Energy: -2.302558428875507
Energy: -1.9236887369088942
Energy: -1.8810588621982607
Energy: -1.0952365873907783
Energy: -1.8798586967262234
Energy: -1.6731728128442478
Energy: 0.13801902219054418
Energy: -1.1258565911512943
Energy: 0.13801902325122767
Energy: -1.0588372698426283
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Energy: -1.736301421238013
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Energy: -1.547795454506106
Energy: -1.6402250959246292
Energy: -1.580743774972247
Energy: -1.5062943355138356
Energy: -1.5609710786602526
Energy: -0.7460586442781936
Energy: -1.6265155691362554
Energy: -0.7460557062861878
Energy: -1.4702337609051934
Energy: -1.869678461648238
Energy: -1.8026238863276205
Energy: -1.7990718216144221
Energy: -1.3471037287105863
Energy: -1.940549816650339
Energy: -1.7486071180896396
Energy: -1.9825458615698348
Energy: -1.2901406925468863
Energy: -0.21845741866559618
Energy: -1.838321333039307
Energy: -0.2184574200718949
Energy: -1.2240145783246492
Energy: 0.12266238031892451
Energy: -0.9428284961812603
Energy: 0.12266238032735839
Energy: -0.8896488481401876
Energy: -1.8295950496235311
Energy: -1.7257292678525475
Energy: -1.8295831269842626
Energy: -1.4720070779906382
Energy: -1.7348309821225478
Energy: -2.003323680850056
Energy: -1.7348309813002087
Energy: -1.511724401741971
Energy: -2.414086776001893
Energy: -2.2876376317312475
Energy: -2.41408618677005
Energy: -1.6548698625682494
Energy: -2.0996762521107715
Energy: -1.9321734768556416
Energy: -2.0996760090329514

minimum gb energy = -2.4309083616418508 eV
minimum distance =  2.24631957878459 Angstroms
sigma value = 15


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

Energy: -1.6544771619176692
Energy: -2.2407688805605877
Energy: -2.190961107780448
Energy: -2.1481757836608764
Energy: -1.5308869144092108
Energy: -2.66390819502549
Energy: -2.2561897889650453
Energy: -2.663545923597286
Energy: -1.6637686756486618
Energy: -2.746751266579926
Energy: -2.2516413957987376
Energy: -2.746751309949075
Energy: -1.7126378489724836
Energy: -2.502094012614974
Energy: -1.5515949530176483
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Energy: -1.7532796459009177
Energy: -1.4922535338038987
Energy: -1.8158237840073614
Energy: -1.4922040045999332
Energy: -1.6911366698167452
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Energy: -1.1939260595801953
Energy: -1.980097369933326
Energy: -2.0265974212072826
Energy: 0.39013229743175637
Energy: -2.0778272073123913
Energy: 0.3901322974298078
Energy: -2.0628251086077225
Energy: -1.7802944399567944
Energy: -2.038337440155987
Energy: -1.7890701386993646
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Energy: -2.709259840502803
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Energy: -1.2972452565516843
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Energy: -1.5977003821838351
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Energy: -1.9498774449517045
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Energy: -1.6149170071613042
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Energy: -1.9375180853196319
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Energy: -1.5438312975787043
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Energy: -2.2724472641745095
Energy: -1.0748589610402732
Energy: -1.5691006787295236
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Energy: -1.9777611880897477
Energy: -1.8583349012859651
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Energy: -1.2380720351692884
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Energy: -2.4790048030352736
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Energy: -2.485225654754737
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Energy: -1.6441954982303089
Energy: -2.570163945500146
Energy: -1.1627496711428016
Energy: -2.581685141680272
Energy: -1.479830473137547
Energy: -2.7497986256418523
Energy: -2.3775273148976677
Energy: -2.758322797684308
Energy: -1.3733378714515536
Energy: -2.2288845633393075
Energy: -1.3595375676084513
Energy: -2.228884552146001
Energy: -1.6785272998937462
Energy: -2.835392699092526
Energy: -2.5374886954007065
Energy: -2.8435160029084674
Energy: -1.4107106446953614
Energy: -2.5142147960725922
Energy: -2.5798851724328906
Energy: -2.5144339377062246

minimum gb energy = -2.8435160029084674 eV
minimum distance =  2.23219952945883 Angstroms
sigma value = 85


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

Energy: -0.2481043186694023
Energy: -1.0159298950393874
Energy: -1.0504944457486916
Energy: -1.4995628575660838
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Energy: 0.44734761308590976
Energy: -0.7290180670519303
Energy: -1.1230582749276457
Energy: -0.850672356368062
Energy: -1.1230582975104175
Energy: -0.623307496882583
Energy: -1.0010877920820769
Energy: -0.8078999194960219
Energy: -1.0012399259796836
Energy: -0.5081413388170164
Energy: -0.7077747365047007
Energy: -1.028206064040498
Energy: -0.7068854141673634
Energy: -0.318091516231248
Energy: -0.3809137171397456
Energy: -1.1396270800475015
Energy: -0.39289970126026175
Energy: -0.447605434349251
Energy: -0.16673003684484952
Energy: -1.095356520776023
Energy: -0.16673003684541288
Energy: -0.5244872134434791
Energy: -1.1292993721028444
Energy: -1.2424195388430446
Energy: -1.128554794818965
Energy: -0.017972726936988172
Energy: -1.393679310427361
Energy: -1.0372220332759536
Energy: -1.3936793119499329
Energy: -0.2618898055531343
Energy: -1.5083977991443076
Energy: -1.542545723009056
Energy: -1.5083978064986496
Energy: -0.381243490037864
Energy: -1.2016919574268747
Energy: -1.253765628238602
Energy: -1.2016919574201148
Energy: -0.5836009270680262
Energy: -1.4994478654995373
Energy: -1.4464636365082357
Energy: -1.4994478650344336

minimum gb energy = -1.542545723009056 eV
minimum distance =  2.22298061814786 Angstroms
sigma value = 113


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

Energy: 0.01705158179196445
Energy: 0.01769489821879546
Energy: 1.2469081805745348
Energy: 0.2522663141706076
Energy: -1.8556723447930878
Energy: -2.74865970365594
Energy: -3.28649183626727
Energy: -2.657986579364809
Energy: -1.8949204434676525
Energy: -3.9499887364816284
Energy: -3.244650326158376
Energy: -4.022387515936959
Energy: 0.018190562786547106
Energy: -1.4560354189012281
Energy: -2.379177453642591
Energy: -1.492755876332388
Energy: -2.6963896132249507
Energy: -2.552898266650072
Energy: -2.5905125314590203
Energy: -2.5095171966858354
Energy: -1.8259499313612415
Energy: -2.0956739556981945
Energy: -3.2553131076382122
Energy: -2.1104828389298858

minimum gb energy = -4.022387515936959 eV
minimum distance =  2.41450950949274 Angstroms
sigma value = 1