Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8169555217027673
cohesive_energy=3.976967959450982
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012607586037263321
Energy: -0.8877418610656144
Energy: -0.8681131502677731
Energy: -0.887741861067623
Energy: -0.8877418610645815
Energy: -0.8856338181395065
Energy: -0.7564584519409555
Energy: -0.8885152137199586
Energy: -0.843071470491043
Energy: -0.7564584519409555
Energy: -0.7567865540324334
Energy: -0.7564584519409555
Energy: -0.887741861067623
Energy: -0.8896289528426417
Energy: -0.7564584519409555
Energy: -0.10092095206065137

minimum gb energy = -0.8896289528426417 eV
minimum distance =  2.45704211600988 Angstroms
sigma value = 1


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

Energy: -1.1247356118905574
Energy: -1.252280655625153
Energy: -0.9938602134767297
Energy: -1.252280656321386
Energy: -0.9844331294137953
Energy: -1.205254577657419
Energy: -1.183781942889353
Energy: -1.205254577791404
Energy: -1.2213082015266172
Energy: -1.164328375075888
Energy: -1.1867148356810258
Energy: -1.1643283223969363
Energy: -0.9787175728265683
Energy: -1.2289609228726412
Energy: -1.0027328090045313
Energy: -1.2289609228563556
Energy: -0.8857224365685916
Energy: -1.397671974926955
Energy: -1.1016168308607834
Energy: -1.3976728025663256
Energy: -1.2472702664756887
Energy: -1.2304845915600224
Energy: -1.2028684667234824
Energy: -1.2304831593748593
Energy: -1.1660816913369185
Energy: -1.3044025632531293
Energy: -1.2084589701290274
Energy: -1.3044025630816192
Energy: -1.2732611909042875
Energy: -1.2598067125878347
Energy: -1.0862636822128953
Energy: -1.2598067127644128
Energy: -1.3238449928168494
Energy: -1.196732089206195
Energy: -1.2651216325130366
Energy: -1.1967320910218564
Energy: -1.2191698196545817
Energy: -1.237902399028519
Energy: -1.2064061380278148
Energy: -1.2375628189703578
Energy: -1.1362785361716194
Energy: -1.2643876149130404
Energy: -1.349882642576981
Energy: -1.2643876150958822
Energy: -1.1321035409335145
Energy: -1.2300890793670909
Energy: -1.2164501827598049
Energy: -1.230092246032293
Energy: -0.932898043455789
Energy: -1.291053901989972
Energy: -1.0177898175406113
Energy: -1.2910539016982
Energy: -1.0875082107265543
Energy: -1.2262905297691697
Energy: -0.9480489295276687
Energy: -1.2262546698510233
Energy: -1.2561297586578262
Energy: -1.235241206742456
Energy: -0.8852286579817937
Energy: -1.2352412078731587
Energy: -1.1185434321756227
Energy: -1.2400616161801916
Energy: -0.8789653424682842
Energy: -1.2400616165070404
Energy: -1.3059318791143117
Energy: -1.1955129002376002
Energy: -1.2783936399433506
Energy: -1.19551290019626
Energy: -0.9454050355599574
Energy: -1.2617246560637807
Energy: -1.0305552934957434
Energy: -1.2617246555290924
Energy: -1.2210288887769107
Energy: -1.232206563162407
Energy: -1.3072098744852538
Energy: -1.2333600456736322
Energy: -1.098059615278327
Energy: -1.265024518052781
Energy: -1.271613815870975
Energy: -1.2650245181003277
Energy: -1.1627175163064485
Energy: -1.2382903596984345
Energy: -1.008561248784014
Energy: -1.2241858252561788
Energy: -1.3173224228557858
Energy: -1.2192864704780988
Energy: -1.2620553013699993
Energy: -1.2192864704918789
Energy: -1.3086093507049037
Energy: -1.2143058553787445
Energy: -1.2075125989788056
Energy: -1.2143058554726425
Energy: -1.1629592294105107
Energy: -1.1808233617017907
Energy: -1.2424965881196315
Energy: -1.1808233619872424
Energy: -1.2554088951664526
Energy: -1.322331564950989
Energy: -1.1862831642984217
Energy: -1.3223315835057439
Energy: -1.2792653466446369
Energy: -1.2231705462420481
Energy: -1.00917889366219
Energy: -1.2231705499534888
Energy: -0.9033251891598092
Energy: -1.2477526487699302
Energy: -1.2026018006604855
Energy: -1.2477526763277715
Energy: -1.3368058868033177
Energy: -1.2353970011248732
Energy: -1.1637904791867346
Energy: -1.2353969519457646
Energy: -0.8870535514887655
Energy: -1.210478449008161
Energy: -1.2214034066720065
Energy: -1.2104784485298459
Energy: -1.0859162530990956
Energy: -1.303901723923563
Energy: -1.1222945238892392
Energy: -1.3039017242616864
Energy: -0.9094997161504214
Energy: -1.2860408838229196
Energy: -1.16137308552127
Energy: -1.2860408843050501
Energy: -0.807393226327028
Energy: -1.178600333872265
Energy: -1.1751750544619939
Energy: -1.1786003340551068
Energy: -1.2335360571687322
Energy: -1.2136943676156937
Energy: -1.0227383723347099
Energy: -1.2136943675618832

minimum gb energy = -1.3976728025663256 eV
minimum distance =  2.31081387048903 Angstroms
sigma value = 1


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

Energy: -1.0006821365739826
Energy: -0.9400969833559943
Energy: 0.7506241124226817
Energy: -0.9400969833488526
Energy: -0.6483947614199738
Energy: -0.9769131687470459
Energy: -0.9125881713814288
Energy: -0.976913168759901
Energy: -0.5899076921744661
Energy: -0.9511596699047605
Energy: -0.9437755127716778
Energy: -0.9511596862019323
Energy: -1.102253579762509
Energy: -0.9570354331231025
Energy: -0.8227570233397347
Energy: -0.9570354330988209
Energy: -1.1067317980987006
Energy: -0.954349750182362
Energy: -0.619819363097272
Energy: -0.9543497502308929
Energy: -1.0036370180873442
Energy: -0.9608402674699272
Energy: -1.0563658614987077
Energy: -0.9608402679353363
Energy: -1.008913319461695
Energy: -0.9216932525587426
Energy: -0.8979600116356004
Energy: -0.9216932535395523
Energy: -0.7571137723295754
Energy: -0.9355698318606595
Energy: -0.7363612892542415
Energy: -0.9355697913654325
Energy: -0.9621593884609385
Energy: -1.028123379015296
Energy: -1.0235490321996892
Energy: -1.02812337912953
Energy: -0.8916585868231406
Energy: -1.0456785323024727
Energy: -0.9364209468302493
Energy: -1.0456785324523827
Energy: -0.8872744176229032
Energy: -1.0511730389784226
Energy: -0.5828838583521372
Energy: -1.0511736503515212
Energy: -0.9267724158411026
Energy: -1.0057648660127552
Energy: -1.0079269445737102
Energy: -1.005764864682134
Energy: -0.9226345443315852
Energy: -1.071695463924872
Energy: -0.8572129529962547
Energy: -1.0700840495892328
Energy: -0.8605502433132644
Energy: -0.9819160098969001
Energy: -1.146914556130403
Energy: -0.9819160088247095
Energy: -0.9633279644192413
Energy: -0.9702798285229053
Energy: -0.9745404759045707
Energy: -0.9702772066870105
Energy: -0.9147579470292662
Energy: -1.0748526429290586
Energy: -0.6261040221502966
Energy: -1.0759895946915583
Energy: -0.890486335236543
Energy: -1.2160449214614344
Energy: -0.8896420785153163
Energy: -1.2053653169070746
Energy: -0.8608494048547835
Energy: -0.9983456896987071
Energy: -0.9791831793190338
Energy: -1.000356542369233
Energy: -0.7389726107159569
Energy: -0.9748396250090832
Energy: -0.8979845182342612
Energy: -0.9748396066945872
Energy: -1.061234568745269
Energy: -1.0012425473302689
Energy: -0.9162268239358096
Energy: -1.0012424991868434
Energy: -0.9763750418905021
Energy: -1.0147194800818344
Energy: -0.8648064044987032
Energy: -1.0147197726428399
Energy: -0.9018917227436815
Energy: -0.9739582121770737
Energy: -0.629048053258031
Energy: -0.9739582134691299
Energy: -1.096514828730899
Energy: -0.9928359918561416
Energy: -0.8227570236823721
Energy: -0.9928359917604757
Energy: -0.5801849225926492
Energy: -1.0038280565365725
Energy: -0.9488250290660846
Energy: -1.0038280567264435
Energy: -0.9673623687698347
Energy: -0.9884715419626267
Energy: -0.912587951558786
Energy: -0.9884715317017813
Energy: -1.0366082431122492
Energy: -0.940096983037606
Energy: -0.8446869306336399
Energy: -0.940096983041891
Energy: -0.6483948294911963
Energy: -0.9769131687499026
Energy: -0.912588031752555
Energy: -0.9769131687570443
Energy: -0.6214945151812451
Energy: -0.9511597238731517
Energy: -0.9366666198192604
Energy: -0.9511597023877262
Energy: -1.133265492686779
Energy: -0.9570354330902507
Energy: -0.8227570232397841
Energy: -0.9570354331744899

minimum gb energy = -1.2160449214614344 eV
minimum distance =  2.30280151537223 Angstroms
sigma value = 25


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

Energy: -0.5570623781045618
Energy: -0.800921507089957
Energy: 0.8798100572035498
Energy: -0.8012421248738993
Energy: -0.5625983391229638
Energy: -0.8842297271000424
Energy: -0.677959612467498
Energy: -0.8842299154106453
Energy: -0.47743177236943507
Energy: -0.8346593056783366
Energy: -0.8111858318831181
Energy: -0.8346592983957367
Energy: -0.9106609030438279
Energy: -0.7949767649053654
Energy: -0.6916702098543768
Energy: -0.7957058843207693
Energy: -0.770324979789375
Energy: -0.824128076808505
Energy: -0.6028067202283962
Energy: -0.8228725024215564
Energy: -0.7556463176706693
Energy: -0.9633467134439411
Energy: -0.7435983859705212
Energy: -0.9634424031214919
Energy: -0.7812026832574391
Energy: -0.7399488389916672
Energy: -0.8386514397075817
Energy: -0.7399488373137174
Energy: -0.7262468630107712
Energy: -0.8586891644161334
Energy: -0.5696246214867924
Energy: -0.8584979441217611
Energy: -0.7347545441226504
Energy: -0.7980738980522853
Energy: -0.7288016033177864
Energy: -0.798074629865054
Energy: -0.7032545310531324
Energy: -0.8623677494626961
Energy: -0.7750881406565564
Energy: -0.8623313529914897
Energy: -0.6801023891642078
Energy: -0.8945816023544689
Energy: -0.8440758452244005
Energy: -0.8945815975514155
Energy: -0.863358647237421
Energy: -0.827237483910662
Energy: -0.538576939772678
Energy: -0.8272449133501703
Energy: -0.6836004431366935
Energy: -0.8202294778370055
Energy: -0.7322646182475733
Energy: -0.8202277119699087
Energy: -0.7198042336091641
Energy: -0.8017228349714832
Energy: -0.5861461464098917
Energy: -0.8017230885799348
Energy: -0.7238884758495474
Energy: -0.9363991567156285
Energy: -0.7871866336723873
Energy: -0.8743106719657276
Energy: -0.7346375836723149
Energy: -0.7446872715949101
Energy: -0.8787121205354023
Energy: -0.7446872716928362
Energy: -0.7503896926305104
Energy: -0.840275100173232
Energy: -0.765733660928743
Energy: -0.8402749646615734
Energy: -0.6002588481507596
Energy: -0.8322398956531968
Energy: -0.5967085057576238
Energy: -0.8322686714350401
Energy: -0.9124787240931581
Energy: -0.7982578632765992
Energy: -0.6982595508083633
Energy: -0.798257864229255
Energy: -0.649864084770858
Energy: -0.8801963670241626
Energy: -0.7897521619803141
Energy: -0.8801969088085667
Energy: -0.47566674681033533
Energy: -0.9309084885294902
Energy: -0.757488897020163
Energy: -0.9309894506257703
Energy: -0.9482339272848921
Energy: -0.7613048305571494
Energy: -0.6519777281915229
Energy: -0.7613048231566985
Energy: -0.4421536274958161
Energy: -0.7996278182261791
Energy: -0.6955765033491033
Energy: -0.7996278163275089
Energy: -0.914321976356875
Energy: -0.8462621190982823
Energy: -0.6908736428384923
Energy: -0.9128760516205865
Energy: -0.7311960790849876
Energy: -0.7661071504124003
Energy: -0.8060154386801113
Energy: -0.7661071741771726

minimum gb energy = -0.9634424031214919 eV
minimum distance =  2.30623112715347 Angstroms
sigma value = 9


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

Energy: -0.6527761288000065
Energy: -0.7714115087251732
Energy: 0.7925330160768418
Energy: -0.7877836697081813
Energy: -0.5246520484734174
Energy: -0.5776643578998157
Energy: -0.5730444329271742
Energy: -0.5776661556023336
Energy: -0.5203925556549485
Energy: -0.5979457572366125
Energy: -0.5106517803293725
Energy: -0.5437897948820721
Energy: -0.4809847351241451
Energy: -0.6705240638084318
Energy: -0.4242150529030241
Energy: -0.6705189960005195
Energy: -0.6209427156698449
Energy: -0.5184576528080943
Energy: -0.422074034503983
Energy: -0.5343653438055087
Energy: -0.3161181983156302
Energy: -0.6358739061934187
Energy: -0.5671923504126027
Energy: -0.6373622975533202
Energy: -0.4872084851156498
Energy: -0.684595190818128
Energy: -0.4399860094790091
Energy: -0.6987353731251982
Energy: -0.49019354105064944
Energy: -0.5119375832353293
Energy: -0.5281623626038776
Energy: -0.5160330255307751
Energy: -0.3819708108859948
Energy: -0.7516309743176038
Energy: -0.6032280276178518
Energy: -0.6853935412151652
Energy: -0.4997754106371131
Energy: -0.7646650437738027
Energy: -0.6212755549607764
Energy: -0.7907219168972922
Energy: -0.46227629356545674
Energy: -0.7164053515550984
Energy: -0.6122217069646185
Energy: -0.7820465489893871
Energy: -0.5023438345656432
Energy: -0.636176146816278
Energy: -0.42247204268633365
Energy: -0.6361907742169289
Energy: -0.41960890151964575
Energy: -0.6757846257865935
Energy: -0.5567220214866099
Energy: -0.7290994075919982
Energy: -0.4897782350145799
Energy: -0.8293395408424643
Energy: -0.4807046514935352
Energy: -0.7600815839050887
Energy: -0.4472723964783004
Energy: -0.7004877995931184
Energy: -0.44164494423469747
Energy: -0.7544286278673755
Energy: -0.4142902399064095
Energy: -0.7220065916609245
Energy: -0.5029838559750263
Energy: -0.7416055398680576
Energy: -0.37827104534523726
Energy: -0.6396893825150327
Energy: -0.5817521424084692
Energy: -0.6875602156318696
Energy: -0.7106689253051334
Energy: -0.6196322006571173
Energy: -0.4216647528566581
Energy: -0.6196328697281078
Energy: -0.5654113839486948
Energy: -0.5974263249904527
Energy: -0.46206671382587994
Energy: -0.5973782103966611
Energy: -0.2030981782703439
Energy: -0.6577736068922919
Energy: -0.5568346969981346
Energy: -0.6742756753690026
Energy: -0.5378544847222533
Energy: -0.6314226491726043
Energy: -0.4231618859487952
Energy: -0.5858566597120751

minimum gb energy = -0.8293395408424643 eV
minimum distance =  2.31597452664287 Angstroms
sigma value = 25


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

Energy: -0.7449497479745938
Energy: -0.6831768655814026
Energy: 0.4785276740854895
Energy: -0.6831765719624155
Energy: -0.7037438711632356
Energy: -0.8180531868172318
Energy: -0.7427439274517589
Energy: -0.8180549661516854
Energy: -0.8509925747037353
Energy: -0.8169878424966789
Energy: -0.7281166047904493
Energy: -0.8169865264423897
Energy: -0.7344342898312076
Energy: -0.7579178691489387
Energy: -0.7131137785897071
Energy: -0.7579659896922241
Energy: -0.8269554474976577
Energy: -0.9432380870850912
Energy: -0.7140963779158187
Energy: -0.8485048986085871
Energy: -0.5201428928404699
Energy: -1.0198167874068076
Energy: -0.8034862668920764
Energy: -0.9740912733926826
Energy: -0.6531687915132812
Energy: -0.8923820965811415
Energy: -0.8957070000677053
Energy: -0.8919029362529644
Energy: -0.852608515085716
Energy: -0.6118019612308294
Energy: -0.6821318368040722
Energy: -0.6118019661378178
Energy: -0.5754711120302555
Energy: -0.8105137026018224
Energy: -0.7978452269130093
Energy: -0.8104767606335361
Energy: -0.7904516994961924
Energy: -0.9103786513955726
Energy: -0.8642148234459444
Energy: -0.8327994383213412
Energy: -0.8042956320283932
Energy: -0.8034062899130774
Energy: -0.4898100361215764
Energy: -0.8322844795973381
Energy: -0.863483541497185
Energy: -0.8675341563493627
Energy: -0.690480808835044
Energy: -0.86723326443532
Energy: -0.8201522744399379
Energy: -0.7725352540087903
Energy: -0.8077505977960177
Energy: -0.8065046089679275
Energy: -0.7017924101781899
Energy: -0.8669523547869582
Energy: -0.6791020752843455
Energy: -0.8638511555575683
Energy: -0.6613604592768395
Energy: -0.7818348427013214
Energy: -0.6423709825038011
Energy: -0.7820556727171466
Energy: -0.5802418526071493
Energy: -0.7471166959749822
Energy: -0.912945850489345
Energy: -0.7471166876161053
Energy: -0.7638442423805087
Energy: -0.8466679467354424
Energy: -0.8444851835568727
Energy: -0.8939389859179252

minimum gb energy = -1.0198167874068076 eV
minimum distance =  2.32901988397108 Angstroms
sigma value = 17


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

Energy: -0.9132538001202362
Energy: -0.8876981975429394
Energy: 0.2299994362249542
Energy: -0.8876982118287596
Energy: -0.9332481337710504
Energy: -1.0647858142983917
Energy: -0.9826021921868473
Energy: -1.0647858143372049
Energy: -0.9857010374065278
Energy: -0.9452191469119251
Energy: -1.0277527358961163
Energy: -0.9410204609783146
Energy: -0.8892619522423775
Energy: -1.0374345969951522
Energy: -0.8946858681244443
Energy: -1.037434582827191
Energy: -1.0054076042515019
Energy: -1.0811458645027774
Energy: -0.8547697583653857
Energy: -1.081200044192232
Energy: -0.7467320878396168
Energy: -0.8054548045980855
Energy: -0.9203343996097019
Energy: -0.8054547712062692
Energy: -0.6424109375671881
Energy: -1.1561995518906014
Energy: -0.8448273954611807
Energy: -1.1561995516077146
Energy: -0.9834066374261822
Energy: -1.029734673794158
Energy: -0.6961574434981294
Energy: -1.0297346749770049
Energy: -0.8777706216989949
Energy: -1.0072662282485783
Energy: -0.9757287931844696
Energy: -1.0072661750310625
Energy: -0.9384758538640129
Energy: -0.9429150840818351
Energy: -0.8854778509367975
Energy: -0.9429150618516287
Energy: -0.9575864489132845
Energy: -0.8850733851085736
Energy: -0.8372635096453779
Energy: -0.8850738198648511
Energy: -0.8925873162957185
Energy: -1.0293141249143412
Energy: -0.9243874479741007
Energy: -1.0293141242653596
Energy: -0.8241750364514602
Energy: -0.793763402193566
Energy: -1.0123392675238247
Energy: -0.7937634008637264
Energy: -0.9614617422585539
Energy: -1.05571585259418
Energy: -0.762357194161036
Energy: -1.0557156170613202
Energy: -0.9451653059445717
Energy: -1.037412977715897
Energy: -0.9786037955169956
Energy: -0.9940904390748015
Energy: -0.6329206248948044
Energy: -0.9018515254255968
Energy: -0.9323076080885964
Energy: -0.9018515238156448
Energy: -0.9524010020221008
Energy: -1.13986470330555
Energy: -1.0446861864790316
Energy: -1.139863016719953
Energy: -0.865129970268973
Energy: -0.8353133081052396
Energy: -0.9957643763308708
Energy: -0.8353133081426657
Energy: -0.6699058757906546
Energy: -1.0667668054846977
Energy: -0.9168261790716797
Energy: -1.0667247457054179
Energy: -0.786612537267587
Energy: -0.9301894899062036
Energy: -0.9531264000903211
Energy: -0.9301894898882
Energy: -0.9551172897829235
Energy: -0.9140772319757821
Energy: -0.6456100607324649
Energy: -0.9140772301911225
Energy: -0.9194425415612405
Energy: -1.0393347362479861
Energy: -0.8245113439685595
Energy: -1.0393347983168162
Energy: -0.7018302917036141
Energy: -0.9859359000917475
Energy: -0.9603956397739034
Energy: -0.9855322251761478
Energy: -0.9123402946748792
Energy: -1.1591741293854914
Energy: -0.8425320336213756
Energy: -1.1591741311438233
Energy: -0.869634084421509
Energy: -1.223158397648398
Energy: -0.7723873388282885
Energy: -1.2231501572931507
Energy: -0.696239143758444
Energy: -0.8943353523446318
Energy: -0.9190511120243556
Energy: -0.8943353522115122
Energy: -1.0126939266859485
Energy: -1.0024536155467902
Energy: -0.9718856882935731
Energy: -1.002453874107218
Energy: -0.8414187076433114
Energy: -0.8807339448650138
Energy: -0.7409883279442199
Energy: -0.8807340141599456
Energy: -0.9668616204181185
Energy: -0.8539594490815587
Energy: -0.900512344718311
Energy: -0.8539594495322481
Energy: -0.6085430442085523
Energy: -1.0017700173738882
Energy: -0.982315900909326
Energy: -1.0017754341124174

minimum gb energy = -1.223158397648398 eV
minimum distance =  2.31562428958907 Angstroms
sigma value = 53


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

Energy: -0.8858767411957406
Energy: -1.003098619728608
Energy: 0.6018834760290069
Energy: -1.0031082302286176
Energy: -1.009080235026944
Energy: -1.1414937025911938
Energy: -1.0990997646533778
Energy: -1.1414937036763038
Energy: -1.1243807621183473
Energy: -1.1036245427841194
Energy: -1.0961877356951626
Energy: -1.1099516077519884
Energy: -1.0972398978784064
Energy: -1.1151512032778361
Energy: -1.0793135577087616
Energy: -1.1042337866246161
Energy: -0.9329645288283706
Energy: -1.1452055311059886
Energy: -0.963598285036531
Energy: -1.1512369660198194
Energy: 0.6018834783032805
Energy: -1.0031079402931284
Energy: -0.7997471297790985
Energy: -1.0031015782077168
Energy: -1.062570926419986
Energy: -1.14149370212511
Energy: -0.9353296017608368
Energy: -1.1414937009151862
Energy: -1.0961906913840826
Energy: -1.1045455216764606
Energy: -1.0968997238332008
Energy: -1.106277265425747
Energy: -1.115845821599796
Energy: -1.1203255275751878
Energy: -1.0972402443113174
Energy: -1.059343056407832
Energy: -0.9485186764028616
Energy: -1.123610456053311
Energy: -0.878377532507767
Energy: -1.1082764463011625
Energy: -0.8408931690122448
Energy: -1.003108113540851
Energy: 0.6018834763096301
Energy: -1.0031059778820661
Energy: -0.9942723209505602
Energy: -1.1414937032475658
Energy: -1.0899261704572765
Energy: -1.1414937026425858
Energy: -1.0608343545486993
Energy: -1.1049218536774852
Energy: -1.0961898719276424
Energy: -1.1036691181284533

minimum gb energy = -1.1512369660198194 eV
minimum distance =  2.33148116258287 Angstroms
sigma value = 9


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

Energy: -1.1638541185840388
Energy: -1.1445563029295287
Energy: -0.07550074696921254
Energy: -1.1445563016109008
Energy: -1.3238100322524327
Energy: -1.5154366209397954
Energy: -1.1198506415335727
Energy: -1.5154366322427288
Energy: -1.158294035258437
Energy: -1.2520804701782837
Energy: -1.219192510743143
Energy: -1.2520804528434366
Energy: -1.2105736673501064
Energy: -1.10308369239183
Energy: -1.0567818674481622
Energy: -1.103083697496228
Energy: -1.1129100977037734
Energy: -1.234706675941757
Energy: -1.268609405559091
Energy: -1.2347066759346643
Energy: -1.0900685335950648
Energy: -0.9958401478381117
Energy: -1.130096849835134
Energy: -0.9958401478203803
Energy: -1.3189125386591474
Energy: -1.2270144144289894
Energy: -1.3327102492249923
Energy: -1.2270144144597241
Energy: -1.0169843314459384
Energy: -1.3519046619171267
Energy: -1.1304140976176442
Energy: -1.3519046619242192
Energy: -1.1064420015132777
Energy: -1.1776690206580067
Energy: -1.2546658176464864
Energy: -1.1776690210172027
Energy: -1.1537003582834653
Energy: -1.263843656473144
Energy: -1.2434301397882725
Energy: -1.2638436586590542
Energy: -1.0619655459817379
Energy: -1.033840950002041
Energy: -1.0180373960999387
Energy: -1.0338409499524468
Energy: -1.174086903896188
Energy: -1.2540604682013399
Energy: -1.1221238667440294
Energy: -1.254060468298218
Energy: -1.0717593833252292
Energy: -1.2620784050420673
Energy: -1.1541143738823263
Energy: -1.26207801991604
Energy: -1.0929141504724555
Energy: -1.1488447572336262
Energy: -1.3603720844321263
Energy: -1.148844763975711
Energy: -1.2008780533490937
Energy: -1.3517300685346945
Energy: -1.1913135948674196
Energy: -1.3517305756958031
Energy: -0.9955965126707026
Energy: -1.0282503916506
Energy: -1.1527788262978862
Energy: -1.0282503915608143
Energy: -1.4202487447509224
Energy: -1.3389462780688735
Energy: -1.053558787940995
Energy: -1.3389462780866048
Energy: -1.2822614927276514
Energy: -1.4912886895375326
Energy: -1.042553306855864
Energy: -1.4576299602867735
Energy: -1.3881205409332995
Energy: -1.341544726022159
Energy: -1.1412745027413096
Energy: -1.3501313964458521
Energy: -1.2620690770476457
Energy: -1.3679873194288759
Energy: -1.115927897523798
Energy: -1.3679873310685458
Energy: -1.236114129975295
Energy: -1.2935444477530842
Energy: -0.8931451793530248
Energy: -1.2935444472757325
Energy: -1.1856366662382052
Energy: -1.3181620999929635
Energy: -1.2491616129010739
Energy: -1.3181621054872386
Energy: -1.2173383682476036
Energy: -1.0788520779083202
Energy: -1.2025584967428347
Energy: -1.0788520778846784
Energy: -1.151833451501002
Energy: -1.4343488579083146
Energy: -1.1999172971424443
Energy: -1.4357220724882678
Energy: -1.257786849824005
Energy: -1.1807099488767039
Energy: -1.2072031337794165
Energy: -1.1807099512245078
Energy: -1.1585396906729921
Energy: -1.2351530990727937
Energy: -1.21672880392063
Energy: -1.2351534044805752
Energy: -1.2889338313479919
Energy: -1.3417063094319026
Energy: -1.325572583947307
Energy: -1.341706309148307
Energy: -1.2887528880129375
Energy: -1.3005191377837604
Energy: -1.0362225381978114
Energy: -1.3005189581719518
Energy: -1.0433723503451728
Energy: -1.1650801163117879
Energy: -1.175584080806689
Energy: -1.1650801202605796
Energy: -1.2328391702518435
Energy: -1.1268907580497725
Energy: -1.3665103548900481
Energy: -1.1268907582057555
Energy: -1.0315975444610728
Energy: -1.2956667648004758
Energy: -0.9156874962673871
Energy: -1.295666778156925
Energy: -1.26033535451326
Energy: -1.3402012266860832
Energy: -1.237849037891241
Energy: -1.3402012503292933
Energy: -1.114163327689938
Energy: -1.2410351996511455
Energy: -1.1912245245937594
Energy: -1.2410352012734112
Energy: -1.1865905973888693
Energy: -1.1927605065189908
Energy: -0.8979705302889024
Energy: -1.1927605186738397
Energy: -1.1580103508423127
Energy: -1.2867336951503991
Energy: -1.1201495587115846
Energy: -1.2867336951042971

minimum gb energy = -1.5154366322427288 eV
minimum distance =  2.2863699868275 Angstroms
sigma value = 73


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

Energy: -0.025866765666569452
Energy: -0.4493823773175934
Energy: 0.5993024667644674
Energy: -0.4493823688728288
Energy: -0.4539215226044298
Energy: -0.6309501242056109
Energy: -0.577943618576107
Energy: -0.6309501239041683
Energy: -0.46520523516498036
Energy: -0.33318962927884305
Energy: -0.48209428854538927
Energy: -0.3331896251932118
Energy: -0.5700505311917744
Energy: -0.5490135125113289
Energy: -0.4476891591499729
Energy: -0.5489721779541142
Energy: -0.48629623588124266
Energy: -0.5570751991778387
Energy: -0.56590015878451
Energy: -0.557075624825412
Energy: -0.12143166626493514
Energy: -0.5598333201227432
Energy: -0.3645752563574001
Energy: -0.5598476502395803
Energy: -0.5573184505690189
Energy: -0.6509111945857669
Energy: -0.5364219831466053
Energy: -0.7385252369443909
Energy: -0.48578885714146397
Energy: -0.4615912680924614
Energy: -0.433330089989137
Energy: -0.46159126813988155
Energy: -0.38981026426302323
Energy: -0.3690674147336117
Energy: -0.4890560144582996
Energy: -0.3690674147317362
Energy: -0.5291195669434995
Energy: -0.40535651480274193
Energy: -0.5832006155532383
Energy: -0.4053565124346777
Energy: -0.5736846658110426
Energy: -0.41537002519457766
Energy: -0.30534672936134916
Energy: -0.41537002409451645
Energy: -0.33874601843724333
Energy: -0.4912600352556805
Energy: -0.4887815405638323
Energy: -0.49125715893322414
Energy: -0.22769615492489687
Energy: -0.6262417677641454
Energy: -0.43498752273029095
Energy: -0.621122428174827
Energy: -0.4716751033526584
Energy: -0.6566590119100245
Energy: -0.4640835605957988
Energy: -0.5192757782781847
Energy: -0.5263002710727205
Energy: -0.5453163043189827
Energy: -0.44265279829494636
Energy: -0.5453007805608687
Energy: -0.4450625485311713
Energy: -0.5302106619603233
Energy: -0.553531045653425
Energy: -0.5021958161019346
Energy: -0.5090246729158602
Energy: -0.5074124421049138
Energy: -0.38283879833751167
Energy: -0.5154017852053671
Energy: -0.6348737534957268
Energy: -0.5662713069926121
Energy: -0.2743497656906698
Energy: -0.5662713652544054
Energy: -0.46053691584610834
Energy: -0.5703893631831186
Energy: -0.4407000895525756
Energy: -0.5636976517900035
Energy: -0.4849662258554542
Energy: -0.6035516634144049
Energy: -0.6329436432112254
Energy: -0.6035522462388334
Energy: -0.5198747165221044
Energy: -0.7439724023848419
Energy: -0.38006998285226584
Energy: -0.7424420312133229
Energy: -0.46014720451365837
Energy: -0.5753912377548303
Energy: -0.6446335056452313
Energy: -0.5729517608852082

minimum gb energy = -0.7439724023848419 eV
minimum distance =  2.29481345864371 Angstroms
sigma value = 7


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

Energy: -0.741736360917048
Energy: -0.9897191183058575
Energy: -0.11787075985761483
Energy: -0.989719118287291
Energy: -0.900425361897188
Energy: -1.0547806553302395
Energy: -1.0208830689235098
Energy: -1.054777486616548
Energy: -0.9817894162009904
Energy: -0.7069057070680358
Energy: -0.7403480979447251
Energy: -0.7069057066425151
Energy: -0.9330150677918533
Energy: -0.9179994847239636
Energy: -0.7329086471926596
Energy: -0.9179991750714515
Energy: -0.5188479650553521
Energy: -0.7814220346619314
Energy: -0.9253023035561713
Energy: -0.7814220343729764
Energy: -0.763556248547586
Energy: -0.698575970358418
Energy: -0.8482930704014825
Energy: -0.6985759703292422
Energy: -0.9880926949946404
Energy: -1.2257513077123323
Energy: -0.8850850269925585
Energy: -1.2257513373312015
Energy: -0.9339057201963025
Energy: -0.8599017731308674
Energy: -0.9615281198943179
Energy: -0.8599018074846867
Energy: -0.9660726438391241
Energy: -0.9188786277394954
Energy: -0.9127866212793805
Energy: -0.956192047294905
Energy: -0.8946528423206941
Energy: -0.9383528929246806
Energy: -1.1080475721705954
Energy: -0.9383528930108215
Energy: -0.7549725503063363
Energy: -0.800483309489413
Energy: -0.8556317751961627
Energy: -0.8004832463902809
Energy: -0.8118580014732167
Energy: -0.9100227553166509
Energy: -0.9395742699115522
Energy: -0.9100227553498051
Energy: -0.7656893101206587
Energy: -0.8482604654259681
Energy: -0.7311241927772695
Energy: -0.8482604654246417
Energy: -0.8173909165724614
Energy: -1.101360161915871
Energy: -0.7088870800142948
Energy: -1.1013601598757952
Energy: -0.9216850577184488
Energy: -0.894446883711949
Energy: -0.973712694292821
Energy: -0.8944468836827731
Energy: -1.001361599877369
Energy: -0.9023112394483951
Energy: -0.8594190234806348
Energy: -0.9028397341355491
Energy: -0.8093493864066175
Energy: -0.8587920742625146
Energy: -0.8134777719011154
Energy: -0.8587920742651668
Energy: -0.9661887606027864
Energy: -1.0031415350027921
Energy: -0.7324139337024032
Energy: -1.0031787629599649
Energy: -0.7826540548848457
Energy: -1.1338663437423881
Energy: -1.0526023208116837
Energy: -1.1338663437450403
Energy: -0.6858952440948809
Energy: -0.8733810815441108
Energy: -1.0119290975107211
Energy: -0.8733794658119852
Energy: -1.0806899102050458
Energy: -1.196372324102411
Energy: -0.6976914271064641
Energy: -1.1963779211764274
Energy: -1.0276985775739178
Energy: -0.7416031096739615
Energy: -0.9529642486738096
Energy: -0.741603873284726
Energy: -0.8740870469910128
Energy: -1.0652323575144154
Energy: -0.9065942588391861
Energy: -1.0652323561556907
Energy: -1.0974353423518652
Energy: -0.9020613329184637
Energy: -0.4632980709103439
Energy: -0.9020613325287496
Energy: -0.7902651650596776
Energy: -1.0276402072086448
Energy: -0.9418153665644069
Energy: -1.0276401653334353
Energy: -0.8663996780542002
Energy: -0.6143171489283554
Energy: -0.7128339226379636
Energy: -0.6143171463076867
Energy: -0.8723076050818489
Energy: -0.9032160597203248
Energy: -0.7059812858892532
Energy: -0.9032160595069012
Energy: -0.7457835524689318
Energy: -0.5438773720505548
Energy: -1.054882865890699
Energy: -0.5438773721406742
Energy: -0.9733688152621542
Energy: -0.916215997004925
Energy: -0.9827088580828482
Energy: -0.9162159965900437
Energy: -1.0990796884497172
Energy: -1.1268661368987931
Energy: -1.145867687583194
Energy: -1.1268664411124283
Energy: -1.005015261398002
Energy: -0.8540215816077737
Energy: -0.973368843782108
Energy: -0.854021581827828

minimum gb energy = -1.2257513373312015 eV
minimum distance =  2.28863528374197 Angstroms
sigma value = 29


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

Energy: -0.6492724516646277
Energy: -0.6370131742500293
Energy: 0.3410781188986656
Energy: -0.6022816680750146
Energy: -0.5091692088339459
Energy: -0.8487658820364836
Energy: -0.6260625382977415
Energy: -0.8549768383189463
Energy: -0.08173829258354923
Energy: -0.5618028644395561
Energy: -0.5612406931560884
Energy: -0.5618028646219725
Energy: -0.43178201646559683
Energy: -0.6580882827428935
Energy: -0.6430538146209998
Energy: -0.6580929710614212
Energy: -0.6434226696322282
Energy: -0.6598097200518834
Energy: -0.674493832991955
Energy: -0.6658465553053704
Energy: -0.08806062985398201
Energy: -0.7746955840516297
Energy: -0.7233536609519116
Energy: -0.8069553836566223
Energy: -0.6090715952463394
Energy: -0.5566467195207703
Energy: -0.4123462171184924
Energy: -0.5566467184530132
Energy: -0.698312285123521
Energy: -0.6239104468802129
Energy: -0.32811063529016965
Energy: -0.6239104685362351
Energy: -0.5580750696181461
Energy: -0.7280841963088074
Energy: -0.6298347885944504
Energy: -0.7280834106368791

minimum gb energy = -0.8549768383189463 eV
minimum distance =  2.31874809985402 Angstroms
sigma value = 5


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

Energy: -0.9217088626023451
Energy: -1.3293534581391984
Energy: -0.3576450138715275
Energy: -1.3293534596318264
Energy: -1.1425745360994366
Energy: -1.1301064356657917
Energy: -0.9711463390799708
Energy: -1.1301064356282098
Energy: -0.951813197306679
Energy: -1.1590163575513925
Energy: -0.9526494411989385
Energy: -1.1590163575664254
Energy: -1.0372998989947115
Energy: -1.0401226310047953
Energy: -0.8580913119204886
Energy: -1.0401226310485838
Energy: -0.8446060620087654
Energy: -1.1536534265848473
Energy: -0.998583800308719
Energy: -1.1536534266299454
Energy: -1.2231112053863777
Energy: -0.9707098184993129
Energy: -1.1076675504867894
Energy: -0.9707098183402731
Energy: -1.156283509973791
Energy: -1.4525357999518989
Energy: -0.6005962972568977
Energy: -1.4525357999431296
Energy: -1.2235287325502655
Energy: -1.3817262558998136
Energy: -0.7263916161062721
Energy: -1.3817262558810226
Energy: -0.5696946504585062
Energy: -1.151551054093389
Energy: -1.1393365376466116
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Energy: -0.5078658620900182
Energy: -1.1633812956181762
Energy: -1.2798372851586375
Energy: -1.163381295631956
Energy: -1.196940241152805
Energy: -1.2508915657123778
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Energy: -1.1310690605259004
Energy: -1.2702607000622963
Energy: -1.0776162577553514
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Energy: -1.0349643894720146
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Energy: -0.8270202072017014
Energy: -1.0334513016058715
Energy: -0.7120329306941269
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Energy: -0.9403060430601797
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Energy: -0.8435388583573927
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Energy: -0.9313933381953317
Energy: -1.1164597342696225
Energy: -0.9535034543151775
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Energy: -0.8177391576106757
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Energy: -1.1165946873709713
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Energy: -1.204472787540787
Energy: -1.1076047751667297
Energy: -1.104975514385851
Energy: -1.2660733840476863
Energy: -0.8438651406967433
Energy: -1.2660733856416715
Energy: -1.1776686624915373
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Energy: -0.8875974101532657
Energy: -1.0381030829644826
Energy: -0.7884317743983968
Energy: -1.2589936695994075
Energy: -1.1598147094145617
Energy: -1.2589936704734146
Energy: -0.8071920864324145
Energy: -1.1975006167144537
Energy: -1.1988863055223016
Energy: -1.1975006166142923
Energy: -1.0517977520110122
Energy: -1.3720476701119553
Energy: -0.8612853113545877
Energy: -1.3720476703899476
Energy: -1.115865242885538
Energy: -1.347056101264253
Energy: -0.8240388042379097
Energy: -1.3470561012241655
Energy: -0.8176206196759653
Energy: -1.3119526342773973
Energy: -1.1236927018902272
Energy: -1.311952304745322
Energy: -0.9542025009058324
Energy: -1.2055831998587985
Energy: -1.1749107612019056
Energy: -1.20558319997274
Energy: -1.067499238087661
Energy: -0.9958449990820231
Energy: -0.823397450838278
Energy: -0.9958449990469466
Energy: -0.9890856312004023
Energy: -1.2932539155648763
Energy: -0.9350166528157152
Energy: -1.2932539133998742
Energy: -0.8999107091607895
Energy: -1.0500923473936832
Energy: -1.1608838103280565
Energy: -1.0500923473723867
Energy: -0.9437719191646029
Energy: -1.4320217238121618
Energy: -1.060879000987561
Energy: -1.4320217237883601
Energy: -1.1227542968152688
Energy: -1.0953724684726565
Energy: -0.7124515703116655
Energy: -1.095372467904145
Energy: -0.5696578312549999
Energy: -1.3093310394797752
Energy: -0.9456987137106901
Energy: -1.3093106305537865

minimum gb energy = -1.4525357999518989 eV
minimum distance =  2.29550891257331 Angstroms
sigma value = 1


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

Energy: -0.6899435216130844
Energy: -1.1508999614572362
Energy: 0.1052812431843143
Energy: -1.1508503620571908
Energy: -0.636420702059649
Energy: -0.7255715247614776
Energy: -0.6166128639918704
Energy: -0.7258022809345777
Energy: -0.3588652872694585
Energy: -0.7988825996983258
Energy: -0.4237331486228385
Energy: -0.798882572267025
Energy: -0.7029815716891088
Energy: -0.8654041177581757
Energy: -0.8411116737836425
Energy: -0.8620923582314001
Energy: -0.5391859139254945
Energy: -1.0825384027859706
Energy: -0.5546060790674516
Energy: -1.0825386502495862
Energy: -0.5698136307381175
Energy: -0.6231218809640243
Energy: -0.569649532274399
Energy: -0.6231218808982043
Energy: -0.5761430157768391
Energy: -0.8223646884181877
Energy: -0.20900266432029654
Energy: -0.7921371463411443
Energy: -0.7706899435928091
Energy: -0.8086532362371457
Energy: -0.32780414315966105
Energy: -0.80865323624061
Energy: -0.4184364448717225
Energy: -1.0033146314219068
Energy: -0.795593492381132
Energy: -1.0033294037434708
Energy: -0.38828096138711377
Energy: -1.0312296717552802
Energy: -0.7678625522981193
Energy: -1.0312300337849838
Energy: -0.695053210306212
Energy: -0.8577724228079012
Energy: -0.3275677922715952
Energy: -0.8577719926258082
Energy: -0.5623222123627997
Energy: -0.7890955219301963
Energy: -0.20897287644146825
Energy: -0.7890956522860932
Energy: -0.5863312070467105
Energy: -0.6542830979727235
Energy: -0.5837888046671774
Energy: -0.6542830985856138
Energy: -0.5429168512382563
Energy: -1.1041329013709549
Energy: -0.512652977837429
Energy: -1.104132900716533
Energy: -0.6808119127836734
Energy: -0.8229666053890592
Energy: -0.8524388194046629
Energy: -0.822966481168994
Energy: -0.3856478797152475
Energy: -0.8360489348725777
Energy: -0.439730297236102
Energy: -0.8363343876174243
Energy: -0.6629787246230775
Energy: -0.7104270163619306
Energy: -0.6933274373945922
Energy: -0.7104320445623492
Energy: -0.6899435264521583
Energy: -1.1512828181446964
Energy: 0.16715892849466293
Energy: -1.0945933323725
Energy: -0.5924358127794005
Energy: -0.7286547766593371
Energy: -0.7130024102133895
Energy: -0.7286638765218851
Energy: -0.3858340298801796
Energy: -0.7988825877018704
Energy: -0.4237324002121318
Energy: -0.7988825771822725
Energy: -0.7250959471667003
Energy: -0.8721542155872192
Energy: -0.8105387406862136
Energy: -0.8821600475415882
Energy: -0.5391859142371163
Energy: -1.0825387348046756
Energy: -0.5546060788077536
Energy: -1.0825385521537108
Energy: -0.5698137388896225
Energy: -0.6231218809916986
Energy: -0.5686342968069784
Energy: -0.6231218809640243
Energy: -0.577225919636062
Energy: -0.8360383070886341
Energy: -0.20905612708518137
Energy: -0.83859660338684

minimum gb energy = -1.1512828181446964 eV
minimum distance =  2.31502627777856 Angstroms
sigma value = 17


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

Energy: -1.5640157357049376
Energy: -1.6967408946994036
Energy: -0.3655118379711899
Energy: -1.69674089406163
Energy: -1.392658872569687
Energy: -1.6381830065612923
Energy: -1.314397809558081
Energy: -1.638183007898934
Energy: -1.1344920893141794
Energy: -1.563273074389063
Energy: -1.4742545521928119
Energy: -1.5632730744008392
Energy: -1.286512183574312
Energy: -1.2588121472843505
Energy: -1.1322183007977131
Energy: -1.258812147408489
Energy: -1.1394385761528416
Energy: -1.68708427946332
Energy: -1.2891188623427787
Energy: -1.6870840743691664
Energy: -1.160620126343542
Energy: -1.325754396969423
Energy: -1.2716976581480217
Energy: -1.3257543969662116
Energy: -1.3462295465854273
Energy: -1.4951646677902422
Energy: -1.2305547317206285
Energy: -1.4951646677977362
Energy: -1.3840857708511067
Energy: -1.5205483351426847
Energy: -1.1064592430207645
Energy: -1.5205483355011828
Energy: -0.7591792864767107
Energy: -1.4915949121158145
Energy: -1.230066659394661
Energy: -1.491594912086909
Energy: -0.7903801151393159
Energy: -1.593141725433785
Energy: -1.2676183669281849
Energy: -1.5931418038007874
Energy: -1.481243429878656
Energy: -1.5398828300954932
Energy: -0.8946619086759608
Energy: -1.5398826366055525
Energy: -1.3382026329793453
Energy: -1.6045137143846313
Energy: -0.8167308948063278
Energy: -1.6045137145141226
Energy: -1.1695524583371943
Energy: -1.492768553421319
Energy: -1.2816354938877377
Energy: -1.4927685533806856
Energy: -1.1029774893254294
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Energy: -1.3580461842445248
Energy: -1.6133919195287147
Energy: -1.3276801822466848
Energy: -1.677932277421183
Energy: -1.2818054092249822
Energy: -1.6779323698364836
Energy: -1.188306476492407
Energy: -1.492552829375396
Energy: -1.1960876165762389
Energy: -1.4925528289998173
Energy: -1.1864107831874702
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Energy: -1.177522915693984
Energy: -1.3530568279919664
Energy: -1.385135222414772
Energy: -1.6265736185234512
Energy: -0.8842480299355024
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Energy: -1.4437608142859781
Energy: -1.4941157320477623
Energy: -1.3550375477966756
Energy: -1.6280817522363633
Energy: -1.1519933731229066
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Energy: -1.2515492802835737
Energy: -1.5889148450188313
Energy: -1.111139377362046
Energy: -1.5889148460664424
Energy: -1.1568311569308432
Energy: -1.3620642602748678
Energy: -1.3186490425581743
Energy: -1.362064260284503
Energy: -1.3793140121099983
Energy: -1.4966027640160915
Energy: -1.1684596448901363
Energy: -1.4966027644601876
Energy: -1.2305852075789552
Energy: -1.5412882601282951
Energy: -1.2670057752916226
Energy: -1.5412882603209024
Energy: -0.9991382761725396
Energy: -1.4948113758584838
Energy: -1.3571049534549857
Energy: -1.4948080094905454
Energy: -1.233632843066646
Energy: -1.6478678563042861
Energy: -1.5057939091329016
Energy: -1.6478678564038014
Energy: -1.576792799979494
Energy: -1.6179691906385043
Energy: -1.0333537248512628
Energy: -1.617969185087838
Energy: -1.3426805887869715
Energy: -1.4574464489640964
Energy: -0.94699594247013
Energy: -1.4574464489598142
Energy: -1.112612888587447
Energy: -1.5642845214691925
Energy: -1.3702456579937414
Energy: -1.5642841117506756
Energy: -1.0213306519117382
Energy: -1.532656227716602
Energy: -1.5001058407128498
Energy: -1.5326562279563145
Energy: -1.3256830486947806
Energy: -1.6407009790817293
Energy: -1.238629101405289
Energy: -1.6407009784535909
Energy: -1.278947907289704
Energy: -1.519881686180856
Energy: -1.2099757207163677
Energy: -1.5198816854820592
Energy: -1.3297806306372852
Energy: -1.6815664805218566
Energy: -1.1656964930185074
Energy: -1.681567829270213
Energy: -1.0931913030387717
Energy: -1.5404100774802505
Energy: -1.1934736446338936
Energy: -1.5404070491317408
Energy: -1.1827590332030213
Energy: -1.399819370289907
Energy: -1.168295133426536
Energy: -1.399819369506583
Energy: -0.7561060316443964
Energy: -1.5777615342420646
Energy: -1.5207616519146405
Energy: -1.5777616634797265
Energy: -1.2897675494712662
Energy: -1.5860686787813592
Energy: -1.4012372930865566
Energy: -1.5860797575842611

minimum gb energy = -1.6967408946994036 eV
minimum distance =  2.29344375629912 Angstroms
sigma value = 89


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

Energy: -0.6414505152116079
Energy: -0.9435241084134596
Energy: 0.35558220312311073
Energy: -0.9434783148324692
Energy: -0.6838989248579039
Energy: -0.949511084806178
Energy: -0.4323276608984814
Energy: -0.9376152635141918
Energy: -0.4433186048360096
Energy: -0.9589664931514308
Energy: -0.6916884730704705
Energy: -0.9588423049339341
Energy: -0.8043179323675983
Energy: -0.7587817096408986
Energy: -0.7091258068654409
Energy: -0.709284684064973
Energy: -0.5075496745474447
Energy: -0.7599610901716949
Energy: -0.4285852747188722
Energy: -0.7599771912930592
Energy: -0.7914536965357719
Energy: -0.342718920861825
Energy: -0.44372151665951926
Energy: -0.31056200190872085
Energy: -0.8318192766038727
Energy: -0.9359750461909817
Energy: -0.33594576924874864
Energy: -0.9359755210005221
Energy: -0.8471013659915386
Energy: -0.7703452066382472
Energy: -0.2872416634955104
Energy: -0.7696876227638064
Energy: -0.22926024897280325
Energy: -0.749622491577959
Energy: -0.6712366855680719
Energy: -0.7496242195198081
Energy: -0.3465063315716257
Energy: -0.7315485743611313
Energy: -0.7145463957347962
Energy: -0.7315674472921252
Energy: -0.6812047054191201
Energy: -0.9617455097369789
Energy: -0.12484327903081295
Energy: -0.9590097708809865
Energy: -0.6818726401717048
Energy: -1.036753647243417
Energy: -0.28305975244709686
Energy: -1.0283548514921281
Energy: -0.323278835376294
Energy: -0.7083688788186252
Energy: -0.7187367645380937
Energy: -0.708368878316894
Energy: -0.2165284469841351
Energy: -0.7628842721713965
Energy: -0.6804299370031713
Energy: -0.7628972219442792
Energy: -0.8111456786207076
Energy: -0.884499221276433
Energy: -0.522461953716248
Energy: -0.8638821052620771

minimum gb energy = -1.036753647243417 eV
minimum distance =  2.30390628983063 Angstroms
sigma value = 13


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

Energy: -1.2012099545914376
Energy: -1.4124406070011652
Energy: -0.6067615013018006
Energy: -1.4124406070152542
Energy: -1.3170242012923
Energy: -1.4047086965679643
Energy: -1.2621677446231347
Energy: -1.4047086965937943
Energy: -0.7527802050521778
Energy: -1.804731956881147
Energy: -1.342427934228964
Energy: -1.8047200751846144
Energy: -1.1683091371681447
Energy: -1.319186819710033
Energy: -1.204990395196043
Energy: -1.319186819806254
Energy: -1.5540494386429995
Energy: -1.2444284272382213
Energy: -1.0915400834787745
Energy: -1.2444284272112178
Energy: -0.904110337969206
Energy: -1.3098496913847517
Energy: -1.0668608486160345
Energy: -1.309849692047841
Energy: -1.2400520387133596
Energy: -1.562755200840808
Energy: -1.4102181746585407
Energy: -1.5627552007856262
Energy: -1.1824000230748695
Energy: -1.2557712589598338
Energy: -1.3527720574578441
Energy: -1.255771279925518
Energy: -1.0595092289428123
Energy: -1.2672543538139678
Energy: -1.1632493133225827
Energy: -1.2672543537212686
Energy: -1.135509039290113
Energy: -1.2685530668913971
Energy: -1.02033838554488
Energy: -1.2685530669712346
Energy: -1.4435455633543297
Energy: -1.6351221468056667
Energy: -0.9359848158717513
Energy: -1.635122146839715
Energy: -1.2997800479979917
Energy: -1.5176329460843943
Energy: -1.2246116169867707
Energy: -1.5176329461055276
Energy: -0.902216678277944
Energy: -1.5480114505239568
Energy: -1.3541384555985378
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Energy: -1.6243503240635149
Energy: -1.1057914658709562
Energy: -1.624350330986381
Energy: -1.2369182504712901
Energy: -1.6018518770468744
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Energy: -1.6018518771254846
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Energy: -1.205577133891122
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Energy: -1.3105580163109065
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Energy: -1.0092892115363536
Energy: -1.3674550608041716
Energy: -1.1916489175214782
Energy: -1.720358636393548
Energy: -1.1273324263153597
Energy: -1.7203586363583254
Energy: -1.0343274077410176
Energy: -1.6205891775881947
Energy: -1.1466047610583088
Energy: -1.6205891759041344
Energy: -0.9862191631104065
Energy: -1.256122621118711
Energy: -1.2809063806665186
Energy: -1.2561226211504113
Energy: -1.1887737433128136
Energy: -1.3168550329039044
Energy: -0.8932136358746011
Energy: -1.3168550314310723
Energy: -0.9826641211249174
Energy: -1.6213309007319887
Energy: -1.330471136420801
Energy: -1.6213309009596542
Energy: -1.0292087252121576
Energy: -1.685653401804715
Energy: -1.2598336734817541
Energy: -1.6856534021614755
Energy: -1.3597085576152854
Energy: -1.4339078211386276
Energy: -1.228613703704183
Energy: -1.4339078210822715
Energy: -1.262297604434819
Energy: -1.4185531805198257
Energy: -0.9020685113248303
Energy: -1.4185531815055743
Energy: -1.2387477320089935
Energy: -1.6452054344527918
Energy: -1.298778888618509
Energy: -1.6452054346581495
Energy: -0.9359848158717513
Energy: -1.694595025421084
Energy: -1.2905423040258654
Energy: -1.6945950252555917
Energy: -1.021170328426261
Energy: -1.3759992831418972
Energy: -1.027442938672355
Energy: -1.375999299098842
Energy: -1.1590189764350538
Energy: -1.4500336415982562
Energy: -1.059543987020175
Energy: -1.4500336417719668
Energy: -1.315106730675327
Energy: -1.2023208159262193
Energy: -1.1152882204632042
Energy: -1.2023208159743033
Energy: -1.5370599213519773
Energy: -1.5620610255343772
Energy: -1.3470425747921344
Energy: -1.5620610255625549
Energy: -1.1483130332437839
Energy: -1.2102308831514874
Energy: -0.901297144359818
Energy: -1.2102308831068724
Energy: -1.0618371226978434
Energy: -1.245368807558513
Energy: -1.4497491660163837
Energy: -1.2453688075432499
Energy: -1.1509749994965692
Energy: -1.3333254259816414
Energy: -1.2007469168706901
Energy: -1.3333254259464187

minimum gb energy = -1.804731956881147 eV
minimum distance =  2.29415983796925 Angstroms
sigma value = 37


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

Energy: -0.942854926187121
Energy: -1.1319405451557085
Energy: 0.4618686672564577
Energy: -1.1319402327117303
Energy: -0.5486217392271511
Energy: -0.6906644943766738
Energy: -0.5123798383918235
Energy: -0.690664494348004
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Energy: -0.7294937586419636
Energy: -0.6013675860557223
Energy: -0.729493770916107
Energy: -0.4223709740161876
Energy: -0.6077144312913039
Energy: -0.43621869891631104
Energy: -0.6077144310865757
Energy: -0.7709093553840765
Energy: -0.7293745920834889
Energy: -0.036144568105378805
Energy: -0.7293751890626459
Energy: -0.32734451646227275
Energy: -0.5309677834835128
Energy: -0.3648425700488207
Energy: -0.5309677833902271
Energy: -0.39397379378707215
Energy: -0.7211437358705012
Energy: -0.30774364769548945
Energy: -0.721143735867058
Energy: -0.36934566546554304
Energy: -0.4271664824677465
Energy: -0.33969884210752194
Energy: -0.43137095419410165
Energy: -0.30685256433520824
Energy: -0.7134188274687692
Energy: -0.3811536812370936
Energy: -0.7134149162112123
Energy: -0.35043505314334233
Energy: -0.5919042626809086
Energy: -0.37730463274801457
Energy: -0.5919086917507248
Energy: -0.503985097617618
Energy: -0.7410903738632503
Energy: -0.4118506751592132
Energy: -0.7410903738622402
Energy: -0.5893615494096683
Energy: -0.5865746340902371
Energy: -0.6967882769830308
Energy: -0.6256345927531122
Energy: -0.12186169267509718
Energy: -0.78317245505166
Energy: -0.5936201095054737
Energy: -0.7831724549571806
Energy: -0.6472055716370528
Energy: -0.7322236488685062
Energy: -0.6292850780602807
Energy: -0.7322209440432916
Energy: -0.6570893597942745
Energy: -0.942674127484918
Energy: -0.246407417806976
Energy: -0.9427050976690425
Energy: -0.7109717995468052
Energy: -0.7486642751298456
Energy: -0.34144695467253233
Energy: -0.7486642763233244
Energy: -0.12814880163672765
Energy: -0.7373344011510655
Energy: -0.5850859748020925
Energy: -0.7373344134407258
Energy: -0.3738307185119673
Energy: -0.7030358398169848
Energy: -0.44759886623778994
Energy: -0.7030435142888624
Energy: -0.45139918185862654
Energy: -0.8060955168240723
Energy: -0.09113224003050256
Energy: -0.8060731524261419
Energy: -0.4519157670384334
Energy: -0.5189200230263643
Energy: -0.2993261088626955
Energy: -0.5189200059628114

minimum gb energy = -1.1319405451557085 eV
minimum distance =  2.29621245205824 Angstroms
sigma value = 25


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

Energy: -1.1116979728281802
Energy: -1.1836806989699795
Energy: -0.16257993119959566
Energy: -1.1836806991134448
Energy: -0.9916691622916309
Energy: -1.208329936461695
Energy: -0.8610586781652089
Energy: -1.2083299364727365
Energy: -0.5166554654958144
Energy: -1.1689655495156748
Energy: -1.1102688546140353
Energy: -1.168965639012994
Energy: -0.7555253995654722
Energy: -0.9932654926317962
Energy: -0.812449759985757
Energy: -0.9932654926396828
Energy: -0.982701560375689
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Energy: -0.47507600421247
Energy: -0.9583657790972213
Energy: -0.691860851523204
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Energy: -0.6649601764703694
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Energy: -0.6337594626288447
Energy: -0.7841082436399901
Energy: -0.7211631838387579
Energy: -0.7841082376614116
Energy: -0.8138527336406017
Energy: -0.9596813815301866
Energy: -0.5784565637363307
Energy: -0.9596813816531824
Energy: -0.7475345900265035
Energy: -0.8576176065196831
Energy: -0.6563677634374384
Energy: -0.857616835594016
Energy: -0.648772894731734
Energy: -0.9046913662735029
Energy: -0.7365144001453298
Energy: -0.9046913662293375
Energy: -0.563716798149342
Energy: -0.8717474007601023
Energy: -0.7918184421787171
Energy: -0.8717473889306374
Energy: -0.8552977535120392
Energy: -1.024029113935656
Energy: -0.7241385312128047
Energy: -1.024029113882027
Energy: -0.9053701527021255
Energy: -1.0464008150191275
Energy: -0.8371910077337442
Energy: -1.0464008150490967
Energy: -0.4543723785502452
Energy: -1.0807871319389646
Energy: -0.8266002311257223
Energy: -1.0807871319752076
Energy: -1.0944789982930647
Energy: -1.0974546043670832
Energy: -0.8868352021402527
Energy: -1.0974546044238669
Energy: -1.1298951139830564
Energy: -1.2370459887718435
Energy: -0.49043305617296257
Energy: -1.2370446012724667
Energy: -1.001672587335248
Energy: -1.2861753056641052
Energy: -0.9237096292799764
Energy: -1.2861753053519371
Energy: -0.4273927496436832
Energy: -1.1134542430167012
Energy: -1.1079776048492005
Energy: -1.1134542333771782
Energy: -0.8748060407978588
Energy: -0.9995437864352736
Energy: -0.9837332984381386
Energy: -0.9995437864384282
Energy: -0.9356703484804497
Energy: -0.9247409996679193
Energy: -0.3814662240153685
Energy: -0.9247409996694967
Energy: -0.7253569360614557
Energy: -1.0171233225405352
Energy: -0.7588288200660156
Energy: -1.017123320672225
Energy: -0.8161952005070746
Energy: -0.921521127271113
Energy: -0.620749204357717
Energy: -0.9215211273026593
Energy: -0.4937773453815847
Energy: -0.8251352183390499
Energy: -0.7384502126613713
Energy: -0.8251352183453234

minimum gb energy = -1.2861753056641052 eV
minimum distance =  2.2751920394423 Angstroms
sigma value = 41


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

Energy: -1.3871452883826192
Energy: -1.4560834572317025
Energy: -0.6029569713569295
Energy: -1.4560834756871142
Energy: -1.4750120197800771
Energy: -1.503699543668475
Energy: -1.3648970736116817
Energy: -1.5036995437537641
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Energy: -1.339881042426613
Energy: -1.4118328952751615
Energy: -1.2941949983896976
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Energy: -1.2008565907911535
Energy: -1.320665802576648
Energy: -1.323313354622557
Energy: -1.41072663810975
Energy: -1.1041987284520582
Energy: -1.4107270051822094
Energy: -0.977970638679756
Energy: -1.2112552819141955
Energy: -1.1954188670942594
Energy: -1.2112552819154885
Energy: -0.8061203179227636
Energy: -1.2648068199346338
Energy: -1.1530536375950884
Energy: -1.2648068199346338
Energy: -1.0366807661819133
Energy: -1.1854512632367293
Energy: -1.1624500481555815
Energy: -1.1854512632393157
Energy: -1.1487535429652587
Energy: -1.285068825070737
Energy: -1.1908599119668284
Energy: -1.2850688250965996
Energy: -0.9608655681689864
Energy: -1.0314959956060537
Energy: -0.889024929242346
Energy: -1.0314959956332097
Energy: -0.9480785577584532
Energy: -1.2878324056706456
Energy: -1.1212965621077002
Energy: -1.2878324057262216
Energy: -0.9501329211260016
Energy: -0.9241163861372179
Energy: -1.027653625844841
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Energy: -1.1930698097987362
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Energy: -1.069072033639468
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Energy: -0.9124490030306454
Energy: -1.0914234525660957
Energy: -0.8833244925583515
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Energy: -1.2349510465108096
Energy: -1.270295527286239
Energy: -1.1281731061454112
Energy: -1.3026677851488355
Energy: -1.1469551386788845
Energy: -1.3026677851423698
Energy: -1.2520410864916598
Energy: -1.388742582160152
Energy: -0.9659985823868602
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Energy: -1.1765692659918745
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Energy: -1.2513657750898186
Energy: -1.3363545525960132
Energy: -0.8445811992568563
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Energy: -1.2779229548452427
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Energy: -0.8771525768863109
Energy: -1.4615059642017008
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Energy: -1.448850901169847
Energy: -1.3610409647481685
Energy: -1.4488509011918307
Energy: -0.8635243230650775
Energy: -1.4278507624715173
Energy: -1.3402781373937351
Energy: -1.4278504367524427
Energy: -1.2269209353435873
Energy: -1.4254784234956885
Energy: -1.248518476746139
Energy: -1.4254784234698548
Energy: -1.2030198085203843
Energy: -1.495374221125597
Energy: -0.881656375335817
Energy: -1.4953742227206406
Energy: -1.1674198468148917
Energy: -1.2788926752655407
Energy: -1.2862348991227928
Energy: -1.2788926752694203
Energy: -0.7415508965479917
Energy: -1.2367292523325684
Energy: -1.1869206432142585
Energy: -1.236729252358402
Energy: -1.008476865749372
Energy: -1.3162301117176973
Energy: -0.9563448031488979
Energy: -1.3162301117086452
Energy: -1.0382360809351465
Energy: -1.2678248027467636
Energy: -1.0098600715768498
Energy: -1.2678248027415913
Energy: -1.1294459398531087
Energy: -1.1846828147091482
Energy: -0.7840454713965821
Energy: -1.184682814661331

minimum gb energy = -1.5036995437537641 eV
minimum distance =  2.29252568341125 Angstroms
sigma value = 15


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

Energy: -1.6475857865269863
Energy: -1.5979452892483252
Energy: -1.0287514147109127
Energy: -1.597945295255493
Energy: -1.579085693713545
Energy: -1.8497455813517358
Energy: -1.5407876419313846
Energy: -1.8497455813462584
Energy: -1.2743477137751145
Energy: -1.5853076578895489
Energy: -1.6913649402750255
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Energy: -1.4580882565244615
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Energy: -1.6245250999606424
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Energy: -1.7648391795780747
Energy: -1.365682298434558
Energy: -1.7661210920649004
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Energy: -1.5826440087106355
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Energy: -1.62336690608116
Energy: -1.723989358740724
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Energy: -1.5587541464080528
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Energy: -1.6173274117065315
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Energy: -1.6173274157032431
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Energy: -1.6104824661795658
Energy: -1.7409268039028938
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Energy: -1.4593502349115741
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Energy: -1.663528930403496
Energy: -1.7451062745829793
Energy: -1.358679554510345
Energy: -1.6641510718917376
Energy: -1.4901540874839179
Energy: -1.6641510718862602
Energy: -1.495636536192278
Energy: -1.4916360124758274
Energy: -1.4002096732626792
Energy: -1.4916360124922596
Energy: -1.3425438477055733
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Energy: -1.2428521987476546
Energy: -1.4928010080920386
Energy: -1.2701765110950174
Energy: -1.5271201636755631
Energy: -1.4382497071262716
Energy: -1.5271201349330379

minimum gb energy = -1.8497455813517358 eV
minimum distance =  2.28764488036435 Angstroms
sigma value = 85


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

Energy: -0.8199813936760203
Energy: -0.9307955358688046
Energy: -0.6600653710389356
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Energy: -0.7984979693378638
Energy: -0.9965030001685299
Energy: -0.5051754718403204
Energy: -0.9965029998940554
Energy: -0.806839786265338
Energy: -1.0336722409358534
Energy: -0.8364780481124467
Energy: -1.0336722411020365
Energy: -0.61653716530649
Energy: -0.9296390913433482
Energy: -0.8219892470508299
Energy: -0.9296390913347974
Energy: -0.8369834342513112
Energy: -0.9483947274699894
Energy: -0.8684132661104897
Energy: -0.9483947274652389
Energy: -0.7604446000551018
Energy: -0.8856262486715071
Energy: -0.5263250185210323
Energy: -0.8856262486886091
Energy: -0.87590561161485
Energy: -0.8247276182803357
Energy: -0.6231910237392555
Energy: -0.8247276182812858
Energy: -0.7997403328655082
Energy: -0.8921869489623943
Energy: -0.824512864651788
Energy: -0.8921869489310621
Energy: -0.6096988860799106
Energy: -0.8033939950623536
Energy: -0.6387327959379865
Energy: -0.8033939950623536
Energy: -0.8380405539753369
Energy: -0.8750885902005158
Energy: -0.6760492790761817
Energy: -0.8750885901976654

minimum gb energy = -1.0336722411020365 eV
minimum distance =  2.27067242261587 Angstroms
sigma value = 113


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

Energy: -0.7689111628700573
Energy: -1.070640814143572
Energy: 0.49077067281065406
Energy: -1.081177854302458
Energy: -0.7886035981427895
Energy: 0.3257883086587651
Energy: -1.182945456927789
Energy: 0.3257882434315262
Energy: 0.3054559509390002
Energy: -1.6313447201824058
Energy: -0.24059535047383307
Energy: -1.631344652128307
Energy: -0.8058503880586635
Energy: 0.3257887065053452
Energy: -1.1829454536569493
Energy: 0.3257888730791557
Energy: -0.768696332309582
Energy: -1.0711841629068029
Energy: 0.4911083670499876
Energy: -1.0374171261067955
Energy: -0.8229998521259552
Energy: 0.32579024217577895
Energy: -1.182945455232416
Energy: 0.32579016211334344

minimum gb energy = -1.6313447201824058 eV
minimum distance =  2.32882108411981 Angstroms
sigma value = 1