Model name: model_name=EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
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=3.498696523904801
cohesive_energy=4.116955213616656
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: 0.016990671331795423
Energy: 0.01717410045546215
Energy: 0.9133343845710742
Energy: 0.01717410045546215
Energy: 0.01717410045546215
Energy: 1.0418968212609399
Energy: 0.01717410045546215
Energy: 1.0418968212609399
Energy: 0.9133343845710742
Energy: 0.01717410045546215
Energy: 0.016990671331795423
Energy: 0.01717410045546215
Energy: 0.01717410045546215
Energy: 1.0418968212609399
Energy: 0.01717410045546215
Energy: 1.0418968212609399

minimum gb energy = 0.016990671331795423 eV
minimum distance =  2.42121401127239 Angstroms
sigma value = 1


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

Energy: 1.195640369322517
Energy: 1.337896205006735
Energy: 1.0560739751373214
Energy: 1.337896205006735
Energy: 1.1324559940888068
Energy: 1.3935850419831444
Energy: 1.0868226239991696
Energy: 1.3935850419839566
Energy: 1.0218878471894335
Energy: 1.304253582124271
Energy: 1.1752279476479122
Energy: 1.304253582124271
Energy: 1.167198507553067
Energy: 1.3490284557052012
Energy: 1.0787373956886386
Energy: 1.3490284557052012
Energy: 1.1628953392308854
Energy: 1.3433800593505003
Energy: 1.118369132363897
Energy: 1.3433800593505003
Energy: 1.0812937539982392
Energy: 1.293122300464792
Energy: 1.053221768161817
Energy: 1.29312230046398
Energy: 1.184214345554066
Energy: 1.3282076831649285
Energy: 1.0308664681163335
Energy: 1.3282076831649285
Energy: 0.9619851331063577
Energy: 1.31853819217968
Energy: 1.0482782791801217
Energy: 1.318538192178868
Energy: 1.0755903637384965
Energy: 1.0908363062333872
Energy: 1.086857955566072
Energy: 1.090836306294294
Energy: 1.048230937000226
Energy: 1.2834510280678164
Energy: 0.9521799171842135
Energy: 1.2834510280686284
Energy: 1.1266101063126528
Energy: 1.2528831075377433
Energy: 1.0831235037410483
Energy: 1.2528831075377433
Energy: 1.1163379921300065
Energy: 1.3192549699659881
Energy: 1.0589433415271305
Energy: 1.3192549699659881
Energy: 1.086889773593874
Energy: 1.354253551971371
Energy: 1.1318689807579843
Energy: 1.354253551971371
Energy: 1.1752422547591383
Energy: 1.3126498362194665
Energy: 1.1143830161812536
Energy: 1.3126498362194665
Energy: 1.1208478932996409
Energy: 1.365832469026834
Energy: 1.2291511873333048
Energy: 1.365832469027646
Energy: 1.1190311104021302
Energy: 1.392681080404604
Energy: 1.09427414239021
Energy: 1.392681080404604
Energy: 1.1753359465309137
Energy: 1.3241679336909347
Energy: 1.0356888323597107
Energy: 1.3241679336917465
Energy: 1.0737562070866578
Energy: 1.3820039172336434
Energy: 1.1315032463884176
Energy: 1.3820039172336434
Energy: 0.9756167543022608
Energy: 1.3204675060892952
Energy: 1.0577818986144631
Energy: 1.3204675060892952
Energy: 1.0842199371615697
Energy: 1.0914410907890995
Energy: 1.086323611587916
Energy: 1.0914410907874752
Energy: 1.0507954279614422
Energy: 1.2888286971059215
Energy: 0.9536252635354829
Energy: 1.2888286971059215
Energy: 1.072510859338767
Energy: 1.346625471688371
Energy: 1.1126916528451203
Energy: 1.346625471688371
Energy: 1.1117969213913665
Energy: 1.3422217234774654
Energy: 1.0579422666262672
Energy: 1.3422217234766534
Energy: 1.0559180289565804
Energy: 1.3257913420137106
Energy: 1.0733982562270368
Energy: 1.3257913420137106
Energy: 1.035966535348453
Energy: 1.29787431200356
Energy: 1.187063213469059
Energy: 1.297874312004372
Energy: 1.1624809067228616
Energy: 1.3262301674946204
Energy: 1.01121727198376
Energy: 1.3262301674946204
Energy: 1.1616382964308771
Energy: 1.3142756886282794
Energy: 1.075961068519827
Energy: 1.3142756886282794
Energy: 0.9994148324857567
Energy: 1.288784675779373
Energy: 1.1733324830139253
Energy: 1.288784675779373
Energy: 1.1295053990761148
Energy: 1.3131852951513585
Energy: 1.1286567224636521
Energy: 1.3131852951521703
Energy: 1.190622984026178
Energy: 1.3197072665805434
Energy: 1.0965624598390558
Energy: 1.3197072665813556
Energy: 1.131518355579936
Energy: 1.3778467329638984
Energy: 1.136186179737002
Energy: 1.3778467329647106
Energy: 1.058204424926895
Energy: 1.321503271025257
Energy: 1.1754633030150288
Energy: 1.321503271025257
Energy: 1.1631660960932144
Energy: 1.3233067195444377
Energy: 1.0733739526431247
Energy: 1.323306719545176

minimum gb energy = 0.9521799171842135 eV
minimum distance =  2.24949820384489 Angstroms
sigma value = 1


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

Energy: 1.3252779491001625
Energy: 1.4413156200068213
Energy: 1.128795823400913
Energy: 1.4413156200049695
Energy: 1.1303778454682458
Energy: 1.4274846187248185
Energy: 1.1287242241602424
Energy: 1.4274846187248185
Energy: 1.0566378954582427
Energy: 1.3821539708433108
Energy: 1.250845300600849
Energy: 1.382153970841459
Energy: 1.1288272209917283
Energy: 1.309727255568371
Energy: 1.0776174679281854
Energy: 1.309727255569297
Energy: 1.1294172387251622
Energy: 1.4065690011066165
Energy: 1.1667394302324388
Energy: 1.406569001109394
Energy: 1.2129830195494193
Energy: 1.402230960551717
Energy: 1.141472087617417
Energy: 1.4022309605554204
Energy: 1.1407940747104968
Energy: 1.2635125189425735
Energy: 1.0764022711319376
Energy: 1.2635125188990546
Energy: 1.007721597662484
Energy: 1.424312143789053
Energy: 1.1225649461857607
Energy: 1.4243121437927568
Energy: 1.139655113282412
Energy: 1.1870875671874852
Energy: 1.1291281690385364
Energy: 1.1870875671967025
Energy: 1.1298727957299246
Energy: 1.4201163964554955
Energy: 1.0631232407121434
Energy: 1.4201163964591568
Energy: 1.1294961424141916
Energy: 1.4022855197143178
Energy: 1.1296341952180637
Energy: 1.4022855197161699
Energy: 1.0745360835628575
Energy: 1.437000551825817
Energy: 1.22572237732016
Energy: 1.437000551825817
Energy: 1.2693821890192738
Energy: 1.4386170065668074
Energy: 1.1239163540505341
Energy: 1.4386170065658812
Energy: 1.269701142050078
Energy: 1.438561875469789
Energy: 1.1013077255394006
Energy: 1.438561875469789
Energy: 1.0742900924310148
Energy: 1.4372655383220152
Energy: 1.227110092956129
Energy: 1.4372655383257191
Energy: 1.1295134201613215
Energy: 1.402820736195253
Energy: 1.1298155001276264
Energy: 1.4028207361961784
Energy: 1.1300170932534193
Energy: 1.4199443252146033
Energy: 1.0414462160513074
Energy: 1.4199443252136772
Energy: 1.1397756954524552
Energy: 1.183526583266986
Energy: 1.1297883066863623
Energy: 1.1835265834964894
Energy: 1.0075151987661652
Energy: 1.4242940574744312
Energy: 1.098008650072582
Energy: 1.4242940574762832
Energy: 1.1411179230998247
Energy: 1.2640035731611385
Energy: 1.0783852810680223
Energy: 1.2640035731611385
Energy: 1.215337833827391
Energy: 1.4019573966227685
Energy: 1.1027117069627446
Energy: 1.4019573966236945
Energy: 1.1293302411020327
Energy: 1.3990576879865162
Energy: 1.1259420660275243
Energy: 1.3990576879865162
Energy: 1.129867687979382
Energy: 1.3097995801868993
Energy: 1.078000455907937
Energy: 1.3097995802054176
Energy: 1.0566047580020348
Energy: 1.3821055107714186
Energy: 1.250776975652739
Energy: 1.3821055107686406
Energy: 1.130729405644067
Energy: 1.4277167984413992
Energy: 1.1284815026363602
Energy: 1.427716798440473
Energy: 1.3252779491001625
Energy: 1.4413156200068213
Energy: 1.1868706961843882
Energy: 1.4413156200049695
Energy: 1.13037784546732
Energy: 1.4274846187248185
Energy: 1.128724224165798
Energy: 1.4274846187248185
Energy: 1.0566378954591684
Energy: 1.3821539708442365
Energy: 1.1989928274058386
Energy: 1.3821539708405328
Energy: 1.1288272209908023
Energy: 1.309727255567445
Energy: 1.0898981494374693
Energy: 1.309727255569297

minimum gb energy = 1.0075151987661652 eV
minimum distance =  2.25885828622704 Angstroms
sigma value = 25


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

Energy: 1.2425628789583119
Energy: 1.4554255566340932
Energy: 1.246142729708775
Energy: 1.455425556654544
Energy: 1.1987954749828278
Energy: 1.4311518880104106
Energy: 1.2128541772792178
Energy: 1.431151888009334
Energy: 1.1166271375674208
Energy: 1.5015589256947435
Energy: 1.2147342465946303
Energy: 1.5015589256947435
Energy: 1.2015355620520294
Energy: 1.3814779573328366
Energy: 1.132115398380105
Energy: 1.381477957333913
Energy: 1.219264634531199
Energy: 1.46199201399746
Energy: 1.1541439684346373
Energy: 1.46199201399746
Energy: 1.3035583021531392
Energy: 1.4966192597185424
Energy: 1.2276936580083933
Energy: 1.4966192597196186
Energy: 1.2260512501628198
Energy: 1.2241998211025396
Energy: 1.1968803743576286
Energy: 1.2241998210993108
Energy: 1.3386976536326782
Energy: 1.4706258490425166
Energy: 1.0886984416208694
Energy: 1.4706258490425166
Energy: 1.2018136905166426
Energy: 1.37145872304168
Energy: 1.2000535964015513
Energy: 1.371458723038451
Energy: 1.2246998576623787
Energy: 1.5305562297402364
Energy: 1.1477655452017836
Energy: 1.5305562297413124
Energy: 1.1827331480360437
Energy: 1.4806601468843192
Energy: 1.3685333650712752
Energy: 1.4806601468853955
Energy: 1.1328383234493253
Energy: 1.4795532971896208
Energy: 1.350802472934246
Energy: 1.4795532971896208
Energy: 1.2142480006689749
Energy: 1.3548621053883756
Energy: 1.1467036814653948
Energy: 1.354862105389452
Energy: 1.1914957166398232
Energy: 1.3923680862083683
Energy: 1.197795325387794
Energy: 1.3923680862083683
Energy: 1.110850449665189
Energy: 1.4629934200050556
Energy: 1.0869554656584504
Energy: 1.4629934200039794
Energy: 1.2125095219314217
Energy: 1.2234274521977038
Energy: 1.1986525087999202
Energy: 1.2234274521977038
Energy: 1.0726899761659738
Energy: 1.4955092309537668
Energy: 1.0723489405319642
Energy: 1.4955092309526903
Energy: 1.163819412653367
Energy: 1.4638690252997957
Energy: 1.2152480724100698
Energy: 1.4638690252997957
Energy: 1.1427696904532691
Energy: 1.3821206897109357
Energy: 1.2270390317580722
Energy: 1.3821206897087832
Energy: 1.208034361101138
Energy: 1.4967046691693349
Energy: 1.2163625058605905
Energy: 1.4967046691693349
Energy: 1.2377553705467073
Energy: 1.3621798699180474
Energy: 1.2123337845821682
Energy: 1.3621798699202003
Energy: 1.2440852272147014
Energy: 1.4794832055451985
Energy: 1.2680152370247726
Energy: 1.4794832055451985
Energy: 1.2001084354988136
Energy: 1.3743450689306171
Energy: 1.338964708950254
Energy: 1.3743450689316934
Energy: 1.134490967826919
Energy: 1.5058751950268254
Energy: 1.2248286729880784
Energy: 1.5058751950268254
Energy: 1.303250250991417
Energy: 1.379662151848282
Energy: 1.1591786956066106
Energy: 1.3796621518472059

minimum gb energy = 1.0723489405319642 eV
minimum distance =  2.26400594565867 Angstroms
sigma value = 9


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

Energy: 1.4141038402759911
Energy: 1.5663050125245193
Energy: 1.4368219533432849
Energy: 1.5663050125258031
Energy: 1.2772261775134912
Energy: 1.516679335037674
Energy: 1.3075605059952669
Energy: 1.5166793350389578
Energy: 1.1773010827815629
Energy: 1.5483367502542644
Energy: 1.3056832073268747
Energy: 1.5483367502555487
Energy: 1.298661642327568
Energy: 1.5628561481908245
Energy: 1.1896586163676641
Energy: 1.5628561481921086
Energy: 1.4002605287664351
Energy: 1.4820014309319713
Energy: 1.2524075998097823
Energy: 1.4820014309319713
Energy: 1.186429054209047
Energy: 1.2946301636514168
Energy: 1.1940710655024835
Energy: 1.294630163652701
Energy: 1.3558209224020445
Energy: 1.1728747384833875
Energy: 1.1750665979400265
Energy: 1.1728747384846714
Energy: 1.2254665145787451
Energy: 1.3211402069254792
Energy: 1.2146450990266613
Energy: 1.321140206922911
Energy: 1.363481292866658
Energy: 1.4619790493659142
Energy: 1.2844229519945274
Energy: 1.4619790493646303
Energy: 1.298493839885622
Energy: 1.5538659706185785
Energy: 1.2015729523519316
Energy: 1.5538659706185785
Energy: 1.2042018974909408
Energy: 1.5471824795433997
Energy: 1.3008182406036126
Energy: 1.5471824795433997
Energy: 1.3428940234009843
Energy: 1.5497522925982674
Energy: 1.2002024340105306
Energy: 1.5497522925982674
Energy: 1.1897520908650778
Energy: 1.454198875680537
Energy: 1.145050524324178
Energy: 1.454198875680537
Energy: 1.2317520875422132
Energy: 1.4979719804300697
Energy: 1.3485713099026628
Energy: 1.4979719804313538
Energy: 1.1897761806266978
Energy: 1.4551595836855937
Energy: 1.254373970305178
Energy: 1.4551595836868776
Energy: 1.322325853738231
Energy: 1.4491626238152302
Energy: 1.1716425055120416
Energy: 1.449162623798567
Energy: 1.343571063515685
Energy: 1.4943060454309003
Energy: 1.3298783851856637
Energy: 1.4943060454321841
Energy: 1.355523192756994
Energy: 1.3286052566989053
Energy: 1.2034664036379714
Energy: 1.3286052576807503
Energy: 1.3445861423470709
Energy: 1.3895482453586303
Energy: 1.289421282370635
Energy: 1.3895482453586303
Energy: 1.3045997894841925
Energy: 1.2964151559157648
Energy: 1.2137780438518715
Energy: 1.2964151559170487
Energy: 1.328845344596865
Energy: 1.3608603121866318
Energy: 1.191523592781533
Energy: 1.360860312187916

minimum gb energy = 1.145050524324178 eV
minimum distance =  2.29597514856828 Angstroms
sigma value = 25


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

Energy: 1.2190800242145308
Energy: 1.5521372156235218
Energy: 1.4762175543575478
Energy: 1.5521372156235218
Energy: 1.2029939849102735
Energy: 1.4818766110390835
Energy: 1.2764554949845763
Energy: 1.4818766110374955
Energy: 1.190693219086321
Energy: 1.500182340597429
Energy: 1.1907102252280923
Energy: 1.5001823406037809
Energy: 1.2181330989636425
Energy: 1.4091637693365962
Energy: 1.46502223877372
Energy: 1.4091637693365962
Energy: 1.3936322975140496
Energy: 1.4107236004423516
Energy: 1.3396828281773203
Energy: 1.4107236004423516
Energy: 1.1939517604896999
Energy: 1.5918550316231637
Energy: 1.19324127175547
Energy: 1.5918550316231637
Energy: 1.3389134842007209
Energy: 1.3686480506411118
Energy: 1.1918216784371183
Energy: 1.3686480506188805
Energy: 1.446390264346531
Energy: 1.5656060729084695
Energy: 1.2236174395667367
Energy: 1.5656060729084695
Energy: 1.1912405696710786
Energy: 1.4199530001792648
Energy: 1.204935074146933
Energy: 1.4199530001792648
Energy: 1.49606584718739
Energy: 1.4859036634142737
Energy: 1.193464251719255
Energy: 1.4859036633920424
Energy: 1.2832628693592039
Energy: 1.4867949690427311
Energy: 1.570420570619937
Energy: 1.4867949690474949
Energy: 1.3359983337596206
Energy: 1.285990249104674
Energy: 1.4215571985390532
Energy: 1.285990249104674
Energy: 1.392607839642595
Energy: 1.4886025223519344
Energy: 1.1901642922002207
Energy: 1.4886025223598378
Energy: 1.3359133125600655
Energy: 1.3681006068421373
Energy: 1.2197306863339208
Energy: 1.3681006069103832
Energy: 1.3395512598489494
Energy: 1.5511640678634155
Energy: 1.4634491299797538
Energy: 1.5511640678634155
Energy: 1.271008914887712
Energy: 1.4219600490321918
Energy: 1.1939635737808312
Energy: 1.4219564015895878
Energy: 1.190787144789589
Energy: 1.3051475684609166
Energy: 1.4292085618666022
Energy: 1.3051475684609166

minimum gb energy = 1.1901642922002207 eV
minimum distance =  2.32559347844976 Angstroms
sigma value = 17


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

Energy: 1.3384114588940057
Energy: 1.3340499619097015
Energy: 1.5761426948999429
Energy: 1.3340499619186947
Energy: 1.4061105320743021
Energy: 1.322284074999979
Energy: 1.2661643058543048
Energy: 1.322284074999979
Energy: 1.3877721422572151
Energy: 1.4632247726742502
Energy: 1.2003017188776615
Energy: 1.4632247726751495
Energy: 1.1906259393835403
Energy: 1.336094345582596
Energy: 1.3694530475658222
Energy: 1.3360943453605818
Energy: 1.4399104288893478
Energy: 1.4043648046631418
Energy: 1.2888362527796524
Energy: 1.404364804660444
Energy: 1.200155147081121
Energy: 1.3134286152069499
Energy: 1.3900827674715255
Energy: 1.3134286152609105
Energy: 1.2147611079313028
Energy: 1.4145827575130467
Energy: 1.261178712459661
Energy: 1.414582757513946
Energy: 1.3781680862391925
Energy: 1.4851809147787913
Energy: 1.211465173204923
Energy: 1.4851809147796906
Energy: 1.2050563550635631
Energy: 1.5094737063256913
Energy: 1.4508379585000384
Energy: 1.5094737063265906
Energy: 1.544982635666885
Energy: 1.2992057038536091
Energy: 1.2173812975679057
Energy: 1.2992057038545084
Energy: 1.2046154653872148
Energy: 1.3185673222050587
Energy: 1.3890081713284756
Energy: 1.3185673222194478
Energy: 1.2308205563704753
Energy: 1.3385159969333886
Energy: 1.2310014654862023
Energy: 1.3385159969333886
Energy: 1.401481956097707
Energy: 1.4500565880250633
Energy: 1.335225629890019
Energy: 1.4500565880457483
Energy: 1.2169014418549033
Energy: 1.5215851128500517
Energy: 1.4225656697823599
Energy: 1.5215851128509512
Energy: 1.3888557939842863
Energy: 1.3423106530662883
Energy: 1.2159248746512883
Energy: 1.3423106530653888
Energy: 1.394035865159682
Energy: 1.3370058137590632
Energy: 1.381557743443911
Energy: 1.3370058137437748
Energy: 1.2638806034706138
Energy: 1.3773698711454492
Energy: 1.5326214546404293
Energy: 1.3773698711445497
Energy: 1.4249981158148026
Energy: 1.3228799229943022
Energy: 1.200445573132519
Energy: 1.3228799229943022
Energy: 1.2640466825636838
Energy: 1.4221214392280879
Energy: 1.3524260255116167
Energy: 1.4221214392253896
Energy: 1.295544350699427
Energy: 1.5146550410874466
Energy: 1.2132226905064583
Energy: 1.5146550410874466
Energy: 1.314784457328549
Energy: 1.4624427301931913
Energy: 1.3878048785536774
Energy: 1.4624427301931913
Energy: 1.2951484888750417
Energy: 1.5075994098930534
Energy: 1.5402523961651118
Energy: 1.5075994098984498
Energy: 1.4400964351155803
Energy: 1.333309150362563
Energy: 1.188978263222916
Energy: 1.333309150365261
Energy: 1.306106527167457
Energy: 1.3540020126998351
Energy: 1.4091805489875342
Energy: 1.354002012541633
Energy: 1.3098770645238778
Energy: 1.462916230537016
Energy: 1.3956172896051342
Energy: 1.4629162305379155
Energy: 1.4783561198337716
Energy: 1.3358302820697694
Energy: 1.2019307015190714
Energy: 1.3358302819645873
Energy: 1.2888419380931264
Energy: 1.5036365666527323
Energy: 1.6071893374759083
Energy: 1.5036365666527323
Energy: 1.4068136239885694
Energy: 1.5038941255795188
Energy: 1.3895167081510036
Energy: 1.5038941255795188
Energy: 1.5333531433103835
Energy: 1.5110757630093556
Energy: 1.214817981879296
Energy: 1.5110757630084561
Energy: 1.2189298811758282
Energy: 1.4226036397835917
Energy: 1.4053418742182422
Energy: 1.4226036397799942

minimum gb energy = 1.188978263222916 eV
minimum distance =  2.25433755228213 Angstroms
sigma value = 53


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

Energy: 1.1976933434986194
Energy: 1.1972968774216772
Energy: 1.4886981238061117
Energy: 1.1972968774237476
Energy: 1.4493508676562663
Energy: 1.2820395281042472
Energy: 1.2543983199618007
Energy: 1.2820395281021768
Energy: 1.1889292591324256
Energy: 1.1869457744420775
Energy: 1.4170661645969251
Energy: 1.186945774440007
Energy: 1.1883504693044487
Energy: 1.1851077530263527
Energy: 1.2540228723434228
Energy: 1.1851077530263527
Energy: 1.4496683708704876
Energy: 1.28279319719175
Energy: 1.2665302809489458
Energy: 1.28279319719175
Energy: 1.1976933434986194
Energy: 1.1972968774216772
Energy: 1.554322811345368
Energy: 1.1972968774216772
Energy: 1.4493508676666187
Energy: 1.2820395281042472
Energy: 1.4603641803677359
Energy: 1.2820395281042472
Energy: 1.1889292591324256
Energy: 1.1869457745124252
Energy: 1.4170661645969251
Energy: 1.1869457744545
Energy: 1.1883504693044487
Energy: 1.1851077530346343
Energy: 1.3129154276458541
Energy: 1.1851077530263527
Energy: 1.4496683708704876
Energy: 1.28279319719175
Energy: 1.3069313606351456
Energy: 1.28279319719175
Energy: 1.1976933434986194
Energy: 1.1972968774196069
Energy: 1.634782093468728
Energy: 1.1972968774237476
Energy: 1.4493508676583369
Energy: 1.2820395281021768
Energy: 1.4603641803656657
Energy: 1.2820395281042472
Energy: 1.1889292591344962
Energy: 1.1869457745041432
Energy: 1.4170661645969251
Energy: 1.1869457744586411

minimum gb energy = 1.1851077530263527 eV
minimum distance =  2.29770992864928 Angstroms
sigma value = 9


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

Energy: 1.2893947764471942
Energy: 1.6710841365403715
Energy: 1.5677306758551062
Energy: 1.6710841365403715
Energy: 1.454574154051193
Energy: 1.32273005908379
Energy: 1.2685302218767875
Energy: 1.32273005908379
Energy: 1.270778766298214
Energy: 1.2771639539628379
Energy: 1.2685626131458718
Energy: 1.2771639539583097
Energy: 1.4258023287950696
Energy: 1.6248549517554716
Energy: 1.2619368892748872
Energy: 1.6248549517547055
Energy: 1.455872904075212
Energy: 1.3482836159963238
Energy: 1.2654147539905145
Energy: 1.3482836159978564
Energy: 1.2763595098586025
Energy: 1.2807317292130138
Energy: 1.4224973775824776
Energy: 1.2807317292122478
Energy: 1.7010392475783618
Energy: 1.3428877747897219
Energy: 1.2598324719682454
Energy: 1.3428877747897219
Energy: 1.2659925073747975
Energy: 1.65168832139869
Energy: 1.4571133458366134
Energy: 1.651688321399456
Energy: 1.2747885058785586
Energy: 1.618349521393971
Energy: 1.2684376041497776
Energy: 1.618349521393971
Energy: 1.252690969201585
Energy: 1.3307584739548495
Energy: 1.2598148529888364
Energy: 1.3307584739548495
Energy: 1.2667483185771282
Energy: 1.6023133676627164
Energy: 1.718154862953417
Energy: 1.6023133676634829
Energy: 1.4452536831659553
Energy: 1.6853445638948743
Energy: 1.2519268714296472
Energy: 1.6853445638941078
Energy: 1.2595029936451425
Energy: 1.4847264513108145
Energy: 1.6002301889404704
Energy: 1.4847264513108145
Energy: 1.4638781309600875
Energy: 1.6161324936108776
Energy: 1.289251712349831
Energy: 1.6161324936124102
Energy: 1.2613816901265824
Energy: 1.4569060743214208
Energy: 1.4804733053123742
Energy: 1.4569060743214208
Energy: 1.2483032588140444
Energy: 1.5974569928092188
Energy: 1.3989330143803502
Energy: 1.5974569928038547
Energy: 1.3800490187476644
Energy: 1.4708088459827842
Energy: 1.2633949950034318
Energy: 1.4708088459835502
Energy: 1.2593649716572777
Energy: 1.3406928022585216
Energy: 1.4673532258945987
Energy: 1.3406928022577558
Energy: 1.4379913195080807
Energy: 1.485121021997695
Energy: 1.2791343755095794
Energy: 1.4851210219992275
Energy: 1.2515554601396015
Energy: 1.3469465732736927
Energy: 1.3659618448798458
Energy: 1.3469465732729262
Energy: 1.4200142908119224
Energy: 1.6079467317990463
Energy: 1.4231802945002199
Energy: 1.6079467317990463
Energy: 1.3651493437578823
Energy: 1.4905271430828007
Energy: 1.2620012705821995
Energy: 1.4905271430820344
Energy: 1.2683227611817318
Energy: 1.4679846820438067
Energy: 1.2685560062335444
Energy: 1.4679846820430404
Energy: 1.6989638450936044
Energy: 1.6310155641467767
Energy: 1.2714149983610878
Energy: 1.6310155641467767
Energy: 1.263882359870574
Energy: 1.6813986734603454
Energy: 1.7166321470701922
Energy: 1.6813986734603454
Energy: 1.3366611777351136
Energy: 1.2761904423857091
Energy: 1.2649897040818825
Energy: 1.2761904423849428
Energy: 1.434965450973487
Energy: 1.4648443195710168
Energy: 1.4725192127972537
Energy: 1.4648443195710168
Energy: 1.2836250995811478
Energy: 1.6248660891667086
Energy: 1.4598615712155556
Energy: 1.624866089165942
Energy: 1.343061210365394
Energy: 1.2793850105697109
Energy: 1.2672705796191168
Energy: 1.2793850105720097
Energy: 1.2688843415871336
Energy: 1.509697991673669
Energy: 1.7175446209746272
Energy: 1.509697991673669
Energy: 1.613936117092724
Energy: 1.6204261057238776
Energy: 1.2729431880040167
Energy: 1.6204261057238776
Energy: 1.2688007037894173
Energy: 1.3355568148505739
Energy: 1.2714283330119178
Energy: 1.3355568148505739
Energy: 1.2700105942978246
Energy: 1.4915962564156202
Energy: 1.2711113484209053
Energy: 1.4915962564163867
Energy: 1.4224298062058787
Energy: 1.6261142262698398
Energy: 1.4219618984435594
Energy: 1.6261142262713724
Energy: 1.2601935695025335
Energy: 1.5109161990386017
Energy: 1.6992182197969994
Energy: 1.5109161990386017

minimum gb energy = 1.2483032588140444 eV
minimum distance =  2.2542758724519 Angstroms
sigma value = 73


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

Energy: 1.4032032100503895
Energy: 1.4796771243357711
Energy: 1.544260531693447
Energy: 1.479677124338203
Energy: 1.5114435280079033
Energy: 1.392387224613026
Energy: 1.2699354295880583
Energy: 1.3923872246118099
Energy: 1.2617296065481969
Energy: 1.4158807033575742
Energy: 1.268836492209858
Energy: 1.4158807033587901
Energy: 1.26012383652662
Energy: 1.5075027545625603
Energy: 1.2982297652735415
Energy: 1.5075027545637758
Energy: 1.3279923361647075
Energy: 1.3978832600020035
Energy: 1.2620482376060382
Energy: 1.3978832599995716
Energy: 1.2777570144577324
Energy: 1.5568866180159784
Energy: 1.564662634492727
Energy: 1.5568866180159784
Energy: 1.6508579051008023
Energy: 1.48662464854985
Energy: 1.2694448433147976
Energy: 1.48662464854985
Energy: 1.2572040080809643
Energy: 1.2845276780891355
Energy: 1.5530600226789215
Energy: 1.2845276780854882
Energy: 1.646859586914464
Energy: 1.2875836961233524
Energy: 1.2728000552378986
Energy: 1.2875836961233524
Energy: 1.2641966518249947
Energy: 1.36439267113585
Energy: 1.2635316067812643
Energy: 1.3643926711346341
Energy: 1.2518399997743308
Energy: 1.2873077883220332
Energy: 1.511215987233444
Energy: 1.2873077883183859
Energy: 1.4467130932026127
Energy: 1.51054310709861
Energy: 1.263787822032839
Energy: 1.5105431070973945
Energy: 1.276648599590369
Energy: 1.3797962749777302
Energy: 1.581285331062035
Energy: 1.379796274976514
Energy: 1.6058147556940878
Energy: 1.4804839998161117
Energy: 1.2750956314533377
Energy: 1.480483999814896
Energy: 1.252232370826159
Energy: 1.4984638289112542
Energy: 1.5477286711684162
Energy: 1.4984638289112542
Energy: 1.5946938955543557
Energy: 1.2873800945601386
Energy: 1.2489796752086306
Energy: 1.2873800945625702
Energy: 1.3532511402312821
Energy: 1.3582967664199055
Energy: 1.254060118339841
Energy: 1.3582967664162582
Energy: 1.403913877488796
Energy: 1.4606324077631525
Energy: 1.2790579035045384
Energy: 1.4606324077643684
Energy: 1.4552513733494463
Energy: 1.2770161377162652
Energy: 1.2612845445518455
Energy: 1.2770161377150495
Energy: 1.2700099096422912
Energy: 1.5201014755468711
Energy: 1.70606115516732
Energy: 1.520101475548087
Energy: 1.558399113518351
Energy: 1.2581811095802018
Energy: 1.269132211932831
Energy: 1.258181109581418
Energy: 1.2774134505389283
Energy: 1.3918768091034701
Energy: 1.3446710614406567
Energy: 1.3918768091046858

minimum gb energy = 1.2489796752086306 eV
minimum distance =  2.26516063230069 Angstroms
sigma value = 7


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

Energy: 1.399586671481185
Energy: 1.4795149258960347
Energy: 1.6896847856365422
Energy: 1.4795149258968943
Energy: 1.6308234234944674
Energy: 1.3581000477493557
Energy: 1.2742416645202737
Energy: 1.358100047745917
Energy: 1.2697215055504167
Energy: 1.3048274698348636
Energy: 1.2866680660210636
Energy: 1.3048274697919178
Energy: 1.3134658119804263
Energy: 1.4669393719488864
Energy: 1.3020883326873607
Energy: 1.4669393719488864
Energy: 1.2729457262579131
Energy: 1.3757828062049007
Energy: 1.3141504643536275
Energy: 1.3757828062057604
Energy: 1.286732075782858
Energy: 1.3024837658836523
Energy: 1.5600367786975027
Energy: 1.3024837658853716
Energy: 1.4835847246864033
Energy: 1.5030229099704908
Energy: 1.2831986663698995
Energy: 1.5030229099687715
Energy: 1.2864456054401197
Energy: 1.3049715761376972
Energy: 1.5399608296508096
Energy: 1.3049715761376972
Energy: 1.4488038705847661
Energy: 1.4572235271772882
Energy: 1.3072588111533232
Energy: 1.457223527179867
Energy: 1.2718124472088896
Energy: 1.3910698945945745
Energy: 1.5054639948958903
Energy: 1.391069894596294
Energy: 1.279125295530758
Energy: 1.539571695484791
Energy: 1.2748420568367713
Energy: 1.5395716954822118
Energy: 1.3089315038194231
Energy: 1.4650572519908631
Energy: 1.2909174871052536
Energy: 1.4650572519908631
Energy: 1.309587760579083
Energy: 1.4767126109248063
Energy: 1.2788779756473758
Energy: 1.476712610925666
Energy: 1.3025206322216305
Energy: 1.2889942323534347
Energy: 1.268368269540393
Energy: 1.2889942323517154
Energy: 1.2623278388005568
Energy: 1.6928041086271994
Energy: 1.7189843337524755
Energy: 1.69280410862548
Energy: 1.6051323711804442
Energy: 1.4557912999717255
Energy: 1.294905005044966
Energy: 1.455791299970006
Energy: 1.2855117687760325
Energy: 1.379626814068174
Energy: 1.362697985245655
Energy: 1.3796268140673142
Energy: 1.296427793254874
Energy: 1.3095886830324144
Energy: 1.296534389057597
Energy: 1.3095886830289758
Energy: 1.2757904279938297
Energy: 1.3014844289531167
Energy: 1.280320439836797
Energy: 1.3014844289531167
Energy: 1.2819904023141637
Energy: 1.378926717478073
Energy: 1.3533718517815292
Energy: 1.3789267174797923
Energy: 1.2879461826462102
Energy: 1.527769545092784
Energy: 1.316476327122158
Energy: 1.5277695450945035
Energy: 1.2724205725175979
Energy: 1.3068600759269033
Energy: 1.4446584669446683
Energy: 1.306860075927763
Energy: 1.5634131097709623
Energy: 1.3760665746514433
Energy: 1.2842255122547421
Energy: 1.3760665746523033
Energy: 1.3941085925055658
Energy: 1.379428124191542
Energy: 1.6723478703110557
Energy: 1.3794281241932613
Energy: 1.3937814860836015
Energy: 1.3794746961911954
Energy: 1.2875143055509504
Energy: 1.3794746961911954
Energy: 1.2971209189619402
Energy: 1.3005270705889778
Energy: 1.2916976878356463
Energy: 1.300527070568345
Energy: 1.2729909164411288
Energy: 1.471431892946392
Energy: 1.2943363263965422
Energy: 1.471431892946392
Energy: 1.3506013653112283
Energy: 1.3646388546780315
Energy: 1.3023806302960728
Energy: 1.3646388546780315
Energy: 1.2760866100145896
Energy: 1.306011723667035
Energy: 1.3569697273604133
Energy: 1.3060117236687543
Energy: 1.7129077624119422
Energy: 1.3856520612729295
Energy: 1.2744737430394715
Energy: 1.3856520612720697
Energy: 1.273645308135301
Energy: 1.305271171772432
Energy: 1.4435246811227032
Energy: 1.3052711717715721

minimum gb energy = 1.2623278388005568 eV
minimum distance =  2.26094479522121 Angstroms
sigma value = 29


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

Energy: 1.26680706977845
Energy: 1.2261270450488104
Energy: 1.3778533104148136
Energy: 1.2261270451767126
Energy: 1.3026952949049955
Energy: 1.2804947758111138
Energy: 1.2663475718353474
Energy: 1.2804947770678408
Energy: 1.2518305817816076
Energy: 1.4131762854800165
Energy: 1.396611196064475
Energy: 1.4131762854791512
Energy: 1.2661493727346098
Energy: 1.2354937577755647
Energy: 1.2660474812773377
Energy: 1.2354921940548613
Energy: 1.2670166737395523
Energy: 1.2347063501976632
Energy: 1.4360502009314384
Energy: 1.2347063499796243
Energy: 1.2858817834625997
Energy: 1.3834560131961235
Energy: 1.2575501348105724
Energy: 1.383456013195824
Energy: 1.3137328755665574
Energy: 1.236136830842014
Energy: 1.267446153905781
Energy: 1.2361368292601085
Energy: 1.2656916744195257
Energy: 1.2349228911917423
Energy: 1.266361618404029
Energy: 1.2349227923985289
Energy: 1.3966773695713592
Energy: 1.4131044165696238
Energy: 1.2522528643656141
Energy: 1.413104416587791

minimum gb energy = 1.2261270450488104 eV
minimum distance =  2.28631993798655 Angstroms
sigma value = 5


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

Energy: 1.2564848681757255
Energy: 1.2991182511489126
Energy: 1.387993732256487
Energy: 1.2991182511505368
Energy: 1.2322136076879047
Energy: 1.337692919694099
Energy: 1.1979763009228293
Energy: 1.3376929196932867
Energy: 1.183166385161799
Energy: 1.2705421903660388
Energy: 1.4290489458204823
Energy: 1.2705421903627903
Energy: 1.1871367229042908
Energy: 1.320669868220124
Energy: 1.2189431467869072
Energy: 1.3206698682209361
Energy: 1.2010563175583278
Energy: 1.3473410627743605
Energy: 1.47353464065212
Energy: 1.3473410627751727
Energy: 1.245339326474285
Energy: 1.2889177414141089
Energy: 1.1870345241855098
Energy: 1.2889177414132968
Energy: 1.2011944878556535
Energy: 1.3444708618542658
Energy: 1.1875295471398055
Energy: 1.3444708618542658
Energy: 1.195774523472096
Energy: 1.2902841279323156
Energy: 1.1918924999713336
Energy: 1.290284127926631
Energy: 1.2558876003455117
Energy: 1.3481278276776485
Energy: 1.1848127765795708
Energy: 1.348127827679273
Energy: 1.2388341148519348
Energy: 1.3506363207292778
Energy: 1.174820932830464
Energy: 1.3506363207292778
Energy: 1.199895452237665
Energy: 1.3214802480932626
Energy: 1.1834767822545642
Energy: 1.3214802480940748
Energy: 1.1966595431431208
Energy: 1.3720925454535302
Energy: 1.3109864216928817
Energy: 1.372092545452718
Energy: 1.2956929672972552
Energy: 1.290985795864734
Energy: 1.2953380556378038
Energy: 1.290985795863922
Energy: 1.220143193011177
Energy: 1.3256333928910344
Energy: 1.2730508611513405
Energy: 1.3256333928918465
Energy: 1.5002951053429308
Energy: 1.3224054565138534
Energy: 1.2001921315096071
Energy: 1.3224054565138534
Energy: 1.2234544462357728
Energy: 1.272512398820405
Energy: 1.221891780619246
Energy: 1.2725123988220293
Energy: 1.45466927543155
Energy: 1.2601997288196878
Energy: 1.1939038186112982
Energy: 1.2601997288204998
Energy: 1.2252481955120982
Energy: 1.2844479666891293
Energy: 1.296391387945316
Energy: 1.284447966689941
Energy: 1.208215507666281
Energy: 1.3433883499289514
Energy: 1.2153037502277646
Energy: 1.3433883499297634
Energy: 1.1827132201307435
Energy: 1.3344397484844732
Energy: 1.2395464473158841
Energy: 1.334439748485285
Energy: 1.1782744326891768
Energy: 1.3268730239525386
Energy: 1.2443129083960156
Energy: 1.3268730239517268
Energy: 1.2641735161875407
Energy: 1.3487576352015531
Energy: 1.2254267336507008
Energy: 1.3487576352015531
Energy: 1.1891092102082232
Energy: 1.4894872212867676
Energy: 1.1809322086403136
Energy: 1.4894872212859553
Energy: 1.2764028766214646
Energy: 1.2822609865493635
Energy: 1.2008225480841672
Energy: 1.2822609865501755
Energy: 1.3141927088405327
Energy: 1.259822292513535
Energy: 1.1859477907399816
Energy: 1.259822292514347
Energy: 1.2244252790516028
Energy: 1.3158476041900145
Energy: 1.202641069484707
Energy: 1.3158476041908262
Energy: 1.1890571599091855
Energy: 1.3090260053614526
Energy: 1.2232412189092305
Energy: 1.3090260053614526
Energy: 1.2412983800410426
Energy: 1.2959962447970321
Energy: 1.224243544920634
Energy: 1.2959962448019047
Energy: 1.1948312819889861
Energy: 1.209386030160435
Energy: 1.4975848940982823
Energy: 1.2093860301572605
Energy: 1.3963102643502605
Energy: 1.2983785859163322
Energy: 1.2251508460767673
Energy: 1.2983785859171444
Energy: 1.2033800355269162
Energy: 1.242474825722636
Energy: 1.394030591132113
Energy: 1.242474825723448
Energy: 1.4746909332262608
Energy: 1.3567365841686692
Energy: 1.196768490034525
Energy: 1.3567365841686692
Energy: 1.2246597620938449
Energy: 1.3055477347293287
Energy: 1.1835395467690357
Energy: 1.305547734730141

minimum gb energy = 1.174820932830464 eV
minimum distance =  2.25029671320587 Angstroms
sigma value = 1


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

Energy: 1.4203786735831276
Energy: 1.22526494008883
Energy: 1.4773368763333057
Energy: 1.22526494008883
Energy: 1.2246770364647366
Energy: 1.2879026578179038
Energy: 1.1480643159324888
Energy: 1.2879026578179038
Energy: 1.147408428364192
Energy: 1.239530408787742
Energy: 1.3503648594061102
Energy: 1.2395304087888648
Energy: 1.1465580544229828
Energy: 1.285719714139319
Energy: 1.1988313159857762
Energy: 1.2857197141404417
Energy: 1.1135889141661732
Energy: 1.3758132278090656
Energy: 1.2011551803280502
Energy: 1.3758132278090656
Energy: 1.1109987860340598
Energy: 1.281918441128872
Energy: 1.1988360256554793
Energy: 1.281918441128872
Energy: 1.144074243490081
Energy: 1.3750290958785583
Energy: 1.1920502612823587
Energy: 1.3750290958684523
Energy: 1.1439397745668394
Energy: 1.239420892011294
Energy: 1.1406765513545645
Energy: 1.239420892011294
Energy: 1.2608674565281162
Energy: 1.235245402651
Energy: 1.2028890332011302
Energy: 1.235245402651
Energy: 1.2605339758577476
Energy: 1.4446947127376986
Energy: 1.1878926130681886
Energy: 1.4446947127388214
Energy: 1.144673608341387
Energy: 1.2260178181389283
Energy: 1.170553771571149
Energy: 1.2260178181389283
Energy: 1.1486118183261596
Energy: 1.3653481697090564
Energy: 1.337936796428419
Energy: 1.365348169711302
Energy: 1.1091706132437547
Energy: 1.2868576711463382
Energy: 1.1887745910088114
Energy: 1.2868576711452155
Energy: 1.1158508199709445
Energy: 1.222938371227014
Energy: 1.4124544189777986
Energy: 1.2229383712248194
Energy: 1.209149149373468
Energy: 1.2886942322796426
Energy: 1.1885762839082616
Energy: 1.2886942322785198
Energy: 1.1420493391139988
Energy: 1.221731746502046
Energy: 1.1490740513826583
Energy: 1.221731746502046
Energy: 1.3908894540915206
Energy: 1.1327232451180402
Energy: 1.1626407666887184
Energy: 1.1327232451169171
Energy: 1.4203786735820048
Energy: 1.2252649400877071
Energy: 1.477336872527402
Energy: 1.22526494008883
Energy: 1.2246770364636137
Energy: 1.2879026578190267
Energy: 1.1480643159324888
Energy: 1.287902657816781
Energy: 1.147408428364192
Energy: 1.239530408787742
Energy: 1.3503648594195334
Energy: 1.2395304087888648
Energy: 1.1465580544229828
Energy: 1.285719714139319
Energy: 1.1988313159857762
Energy: 1.2857197141404417
Energy: 1.1135889141672963
Energy: 1.3758132278090656
Energy: 1.201155180330296
Energy: 1.3758132278090656
Energy: 1.1109987860340598
Energy: 1.2819184411299949
Energy: 1.1988360256554793
Energy: 1.2819184411299949
Energy: 1.144074243490081
Energy: 1.3750290958673297
Energy: 1.1920502612823587
Energy: 1.3750290958785583

minimum gb energy = 1.1091706132437547 eV
minimum distance =  2.2601634026736 Angstroms
sigma value = 17


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

Energy: 1.226453380365943
Energy: 1.2117043302924868
Energy: 1.3333533457561595
Energy: 1.2117043302959567
Energy: 1.3825823439198082
Energy: 1.1690242690488728
Energy: 1.1254917332698535
Energy: 1.1690242690509551
Energy: 1.1209284848126035
Energy: 1.1879417483248629
Energy: 1.4483927424875533
Energy: 1.187941748324169
Energy: 1.1731018931720882
Energy: 1.114362134085454
Energy: 1.119031488305428
Energy: 1.114362134084066
Energy: 1.0971744779349162
Energy: 1.300044934366138
Energy: 1.1344122451159528
Energy: 1.300044934366138
Energy: 1.1260741222616941
Energy: 1.3994933303989596
Energy: 1.1574846663682186
Energy: 1.3994933303996537
Energy: 1.1304350870481636
Energy: 1.2693843767238098
Energy: 1.1936984589550088
Energy: 1.269384376724504
Energy: 1.1231310197391529
Energy: 1.221886528127249
Energy: 1.0930735577228827
Energy: 1.221886528127249
Energy: 1.1781818836630742
Energy: 1.2366490794291478
Energy: 1.1677508111718915
Energy: 1.236649079428454
Energy: 1.1837989048365989
Energy: 1.2146209514359887
Energy: 1.1167387570275158
Energy: 1.2146209514359887
Energy: 1.1310447400023502
Energy: 1.172604412333528
Energy: 1.0939663928422467
Energy: 1.172604412334222
Energy: 1.1317388511604443
Energy: 1.2557999466870033
Energy: 1.1030053254184058
Energy: 1.2557999466870033
Energy: 1.100640220301213
Energy: 1.1966138925330407
Energy: 1.1118702572717456
Energy: 1.1966138925323468
Energy: 1.0986756607160724
Energy: 1.3002699317675022
Energy: 1.197199509089673
Energy: 1.3002699317688904
Energy: 1.1322834048240313
Energy: 1.3962688810156154
Energy: 1.222343255254348
Energy: 1.3962688810156154
Energy: 1.1308651257620164
Energy: 1.2282722631377263
Energy: 1.1443604196187418
Energy: 1.2282722631377263
Energy: 1.1287888150456138
Energy: 1.1253155587772
Energy: 1.1274984309165925
Energy: 1.1253155587827521
Energy: 1.129903930944811
Energy: 1.2157861513091506
Energy: 1.5768029567582786
Energy: 1.2157861513070687
Energy: 1.408426525394729
Energy: 1.134451888802515
Energy: 1.1154287088325903
Energy: 1.1344518888032094
Energy: 1.1628635086088028
Energy: 1.1691004295074117
Energy: 1.3347673052098787
Energy: 1.1691004295108818
Energy: 1.3154201161269392
Energy: 1.1712597540175207
Energy: 1.1218617486549773
Energy: 1.1712597540168268
Energy: 1.129708881662542
Energy: 1.2132723900917268
Energy: 1.3143259276424508
Energy: 1.2132723900931146
Energy: 1.2966107210156959
Energy: 1.149427360178932
Energy: 1.1477904992540557
Energy: 1.149427360178932
Energy: 1.11467362642586
Energy: 1.2733069393140435
Energy: 1.3862210275233253
Energy: 1.2733069393147374
Energy: 1.1709828183256887
Energy: 1.2234088222912203
Energy: 1.1290568726305765
Energy: 1.2234088222905262
Energy: 1.12162096323873
Energy: 1.302233967172566
Energy: 1.1319881327170875
Energy: 1.302233967172566
Energy: 1.3820838501039412
Energy: 1.1993872990752712
Energy: 1.1420039004385052
Energy: 1.1993872990759653
Energy: 1.2284964800156106
Energy: 1.3888315775610676
Energy: 1.1207228245028729
Energy: 1.3888315775631497
Energy: 1.2069034515071588
Energy: 1.2917252254119158
Energy: 1.102481371649385
Energy: 1.2917252254112217
Energy: 1.1316683545449644
Energy: 1.209505032073636
Energy: 1.1632634353025417
Energy: 1.2095050320583676
Energy: 1.117187926621325
Energy: 1.3016940302228077
Energy: 1.116958516404984
Energy: 1.3016940302221138
Energy: 1.1182713020756643
Energy: 1.3788396462182535
Energy: 1.1464544062862096
Energy: 1.3788396462182535
Energy: 1.1181396748009103
Energy: 1.2198527055794413
Energy: 1.4269147387303212
Energy: 1.219852705578747
Energy: 1.170925311049391
Energy: 1.413831928369007
Energy: 1.170659152935333
Energy: 1.4138319283697012
Energy: 1.118723004594825
Energy: 1.214404022219753
Energy: 1.175428562849224
Energy: 1.2144040222218349
Energy: 1.1801431143084802
Energy: 1.2581150581210543
Energy: 1.1281577920685997
Energy: 1.2581150581210543
Energy: 1.146126213061986
Energy: 1.4025305208665868
Energy: 1.1324304269511503
Energy: 1.4025305208665868
Energy: 1.1362316697673753
Energy: 1.290697565966606
Energy: 1.121978452990876
Energy: 1.290697565970076

minimum gb energy = 1.0930735577228827 eV
minimum distance =  2.25906301937438 Angstroms
sigma value = 89


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

Energy: 1.081006957632396
Energy: 1.0413144002535866
Energy: 1.4956192862671533
Energy: 1.0413144002535866
Energy: 1.0309599110873187
Energy: 1.0864781596578312
Energy: 1.0317429979820847
Energy: 1.0864781596560154
Energy: 1.033172178983089
Energy: 1.2920681316430067
Energy: 1.7507584719630553
Energy: 1.2920681316520863
Energy: 0.9911221402494899
Energy: 1.086967939889567
Energy: 1.0343573376987212
Energy: 1.086967939889567
Energy: 1.0598603512573115
Energy: 1.132607384912266
Energy: 1.2507760712134224
Energy: 1.1326073849158977
Energy: 1.0573206855521267
Energy: 1.0280218036360567
Energy: 1.035403077602508
Energy: 1.0280218036360567
Energy: 1.0330250915475558
Energy: 1.2944505895259244
Energy: 1.0302979580763028
Energy: 1.2944505895259244
Energy: 0.9702737321099666
Energy: 1.2617114299499739
Energy: 1.0316438916293038
Energy: 1.2617114197492025
Energy: 1.0629730874092505
Energy: 1.1353852597938494
Energy: 0.9877379127142449
Energy: 1.1353852597938494
Energy: 1.0862045994297607
Energy: 1.132396339308989
Energy: 1.0419563176992375
Energy: 1.1323963390512564
Energy: 1.031569378595992
Energy: 1.0880276210385265
Energy: 1.0589643256878436
Energy: 1.0880276210385265
Energy: 1.0365134632103001
Energy: 1.2600974486888226
Energy: 1.0321963423708098
Energy: 1.2600974486888226
Energy: 1.0605457919683858
Energy: 1.0281483759152752
Energy: 1.0269490231444993
Energy: 1.0281483759152752
Energy: 1.04272712142944
Energy: 1.1345670673340562
Energy: 1.043122909939781
Energy: 1.1345670673395039
Energy: 0.9991705292853901
Energy: 1.0279773028218555
Energy: 1.0603624308242094
Energy: 1.0279773028218555

minimum gb energy = 0.9702737321099666 eV
minimum distance =  2.27263768471621 Angstroms
sigma value = 13


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

Energy: 1.0520572763221114
Energy: 0.9769368078418417
Energy: 1.352850205485706
Energy: 0.9769368078365138
Energy: 1.05634952528442
Energy: 1.0160081221840989
Energy: 0.9443240982257686
Energy: 1.016008122180293
Energy: 0.975234254219724
Energy: 0.9747591121010571
Energy: 1.1531737283175096
Energy: 0.9747591120995348
Energy: 1.008339315338013
Energy: 1.012810712186594
Energy: 0.942043425104388
Energy: 1.0128107121926828
Energy: 1.0172560930116081
Energy: 1.0475467806685428
Energy: 0.9841583632524982
Energy: 1.047546780670065
Energy: 1.210767989547883
Energy: 1.0190945603327508
Energy: 1.0154324362383749
Energy: 1.0190945603304675
Energy: 1.0175611929918382
Energy: 1.0006289731446714
Energy: 1.147037809888612
Energy: 1.0006289731439102
Energy: 0.9264650337094975
Energy: 1.0119949476770693
Energy: 1.0157486019325148
Energy: 1.0119949476785914
Energy: 0.9755655158495983
Energy: 1.3106881168953848
Energy: 1.360585340853871
Energy: 1.310688116897599
Energy: 1.215337507057848
Energy: 1.1010335030551428
Energy: 0.9427165849678121
Energy: 1.101033503050576
Energy: 0.9746347781428244
Energy: 1.0999827839225422
Energy: 0.9453358479711299
Energy: 1.099982783921781
Energy: 1.0304302892232644
Energy: 1.0831496891775232
Energy: 0.9435433711328337
Energy: 1.0831496891790455
Energy: 1.0591616729545412
Energy: 1.012598641505589
Energy: 0.9564078846361245
Energy: 1.012598641455425
Energy: 1.4506184225810146
Energy: 1.1132446260121982
Energy: 0.9450052034208606
Energy: 1.113244626017526
Energy: 1.0174929999121933
Energy: 0.9738227541588796
Energy: 0.9572826882963361
Energy: 0.9738227541634461
Energy: 1.0008345532841147
Energy: 1.1095837176477235
Energy: 0.9457250150388272
Energy: 1.109583717644679
Energy: 1.0045238696534038
Energy: 1.0649639846226784
Energy: 0.9457553969763771
Energy: 1.0649639846264842
Energy: 0.9948535012892621
Energy: 1.058717400771344
Energy: 1.0243152766910948
Energy: 1.0587174007705829
Energy: 0.9963107854329597
Energy: 1.0136838050534198
Energy: 1.0245477036936779
Energy: 1.0136838050518975
Energy: 0.9963954190759448
Energy: 1.0130993746795327
Energy: 1.0245761744862283
Energy: 1.0130993746863828
Energy: 0.9950129149300906
Energy: 1.0662425697410673
Energy: 1.0240926805812565
Energy: 1.0662425697456341
Energy: 1.0037374579509053
Energy: 1.064717825941265
Energy: 0.9459488437073362
Energy: 1.064717825940504
Energy: 1.0008163717081862
Energy: 1.1305624621683803
Energy: 0.9456761113147043
Energy: 1.1305624621744
Energy: 1.017544256050236
Energy: 0.9748427408318763
Energy: 0.9357115792094801
Energy: 0.9748427408858458
Energy: 1.4506092093925358
Energy: 1.1128475778582276
Energy: 0.9455019852404184
Energy: 1.1128475778506164
Energy: 1.0589598544146255
Energy: 1.0119947765734858
Energy: 0.9535442758373993
Energy: 1.0119947765727249
Energy: 1.0305188674261632
Energy: 1.1127822175444786
Energy: 0.947799318388705
Energy: 1.1127822175498066
Energy: 1.0171731643368411
Energy: 1.1096308232056513
Energy: 0.9392218698496991
Energy: 1.1096308232026069
Energy: 1.2125981700529658
Energy: 1.100605777577549
Energy: 0.9431082131138631
Energy: 1.100605777577549
Energy: 0.9756724928546832
Energy: 1.3191739998040013
Energy: 1.4699264195720967
Energy: 1.3191739998055234
Energy: 0.9262259872544325
Energy: 1.0130243343074414
Energy: 1.0156269462522547
Energy: 1.0130243343469498
Energy: 1.0176661059312577
Energy: 1.0007656390683808
Energy: 1.2702164316466822
Energy: 1.0007656390668584
Energy: 1.2106859862042711
Energy: 1.0116832743446824
Energy: 1.0155418547327852
Energy: 1.0116832743378323
Energy: 1.0174561936624753
Energy: 1.0670468986135935
Energy: 0.9743403657291004
Energy: 1.0670468986082657
Energy: 1.008716356903122
Energy: 1.0178452080257991
Energy: 0.9450571857739292
Energy: 1.0178452080349325

minimum gb energy = 0.9262259872544325 eV
minimum distance =  2.27078746361868 Angstroms
sigma value = 37


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

Energy: 1.0027627032761974
Energy: 0.9687721873399073
Energy: 1.303088458645498
Energy: 0.968772187335979
Energy: 0.925189684839087
Energy: 0.9567452138622957
Energy: 0.8857538051351532
Energy: 0.9567452138622957
Energy: 0.8937351075193952
Energy: 1.1198094449275726
Energy: 0.8375569317471244
Energy: 1.119809444928882
Energy: 0.8574213184081778
Energy: 0.9571803485209263
Energy: 0.8598776655404187
Energy: 0.9571803485209263
Energy: 0.9148656403400683
Energy: 0.9658588090406729
Energy: 0.857317369471534
Energy: 0.9658588090406729
Energy: 0.8368499245582751
Energy: 0.9629571508520121
Energy: 0.9117783173942435
Energy: 0.9629571508533216
Energy: 0.8953353577918031
Energy: 1.0464839798708534
Energy: 0.9847635900093669
Energy: 1.0464839798695738
Energy: 0.8644201838128664
Energy: 0.970594799683815
Energy: 1.0014284903493198
Energy: 0.970594799683815
Energy: 0.8570860078605114
Energy: 0.96404353119584
Energy: 0.9891973767892948
Energy: 0.96404353119584
Energy: 1.2319239988357875
Energy: 1.07550839916673
Energy: 0.9119621343629519
Energy: 1.0755083991732772
Energy: 0.8892531467983582
Energy: 1.0462935954022505
Energy: 0.8591552036504166
Energy: 1.0462935954100776
Energy: 1.3176100597874827
Energy: 0.9626428542632525
Energy: 0.8590688969053316
Energy: 0.9626428542553959
Energy: 0.917956055538689
Energy: 0.9617347027487027
Energy: 0.8283733191144147
Energy: 0.9617347027487027
Energy: 0.9906623677862848
Energy: 1.0551281468140687
Energy: 0.864094472613241
Energy: 1.0551281468114497
Energy: 0.9570064270061218
Energy: 1.0428999714712317
Energy: 0.866080669696195
Energy: 1.0428999714712317
Energy: 0.979614622972502
Energy: 0.9568558476186938
Energy: 0.8575260077292651
Energy: 0.9568558476186938
Energy: 0.8585257311171502
Energy: 1.087150912721721
Energy: 0.80702158173133
Energy: 1.087150912721721
Energy: 0.8856822274735368
Energy: 1.0348737857973267
Energy: 0.8632018093738743
Energy: 1.034873785798636
Energy: 0.8637035638168299
Energy: 0.9642460247601495
Energy: 0.8658105781650731
Energy: 0.9642460247601495
Energy: 0.8650883071668659
Energy: 0.9613628939812984
Energy: 0.8866333051042742
Energy: 0.9613628939812984

minimum gb energy = 0.80702158173133 eV
minimum distance =  2.27646740071847 Angstroms
sigma value = 25


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

Energy: 1.077861676525418
Energy: 0.8313166667284847
Energy: 0.7127740557702716
Energy: 0.8313166667254169
Energy: 0.9951866436798049
Energy: 0.8493522788034832
Energy: 0.8154719668036503
Energy: 0.8493522788034832
Energy: 1.0164363367711968
Energy: 0.8376492964984602
Energy: 0.7737285790484587
Energy: 0.8376492964974378
Energy: 0.9906383863481673
Energy: 0.8815674953549724
Energy: 0.8162247427041572
Energy: 0.8815674953529273
Energy: 0.846398562069775
Energy: 0.8545730815348739
Energy: 0.7905510977773316
Energy: 0.8545730815338514
Energy: 0.9343313065291544
Energy: 0.8278385140533558
Energy: 0.8419736235336126
Energy: 0.8278385140543785
Energy: 0.8253196966389525
Energy: 0.8059281972113053
Energy: 0.9677546396821752
Energy: 0.8059281972102827
Energy: 0.745099017571154
Energy: 0.9035013939631532
Energy: 0.9960150222829202
Energy: 0.9035013939621306
Energy: 0.8168061030531312
Energy: 0.854848909437189
Energy: 1.5066918040477915
Energy: 0.8548489094361664
Energy: 0.757553686563527
Energy: 0.8063127548771861
Energy: 0.9096014166388329
Energy: 0.8063127548782085
Energy: 0.82342872193612
Energy: 0.8058731784225027
Energy: 1.1430221780099963
Energy: 0.8058731784225027
Energy: 1.0557413397559168
Energy: 0.8940268384815491
Energy: 0.9962262102483277
Energy: 0.8940268384917743
Energy: 0.8084967344701375
Energy: 0.8830155982729209
Energy: 1.0172966851936773
Energy: 0.8830155982729209
Energy: 1.1719444703110473
Energy: 0.8089036597017757
Energy: 0.8430405857390687
Energy: 0.808903659702798
Energy: 0.8475123214271623
Energy: 0.8121650308043238
Energy: 0.9520360118554766
Energy: 0.8121650308043238
Energy: 0.993017592238145
Energy: 0.8935303291947647
Energy: 0.8134909637915282
Energy: 0.8935303291978323
Energy: 0.9993884116855987
Energy: 0.9024673749896968
Energy: 0.7464408224478764
Energy: 0.9024673749896968
Energy: 1.0900284409347005
Energy: 0.8615998471009445
Energy: 0.8157492896297017
Energy: 0.861599847101967
Energy: 1.0799258831365066
Energy: 0.8296185463254876
Energy: 0.7557737033513868
Energy: 0.8296185463254876
Energy: 1.0005969475576528
Energy: 0.9785294437514884
Energy: 0.8105615193183928
Energy: 0.9785294437525109
Energy: 0.9982500812632349
Energy: 0.895442664916121
Energy: 0.7449755770775686
Energy: 0.8954426649150984
Energy: 0.9876221084770673
Energy: 0.8768703007275512
Energy: 0.8105335522491761
Energy: 0.8768703007275512
Energy: 0.8365830866770736
Energy: 0.80870468170997
Energy: 1.1466121241253728
Energy: 0.8087046817069024
Energy: 0.9421410167530615
Energy: 0.9723756850022525
Energy: 0.8381897056016094
Energy: 0.97237568500532
Energy: 0.8161576512015193
Energy: 0.9724608121394522
Energy: 0.9959627846625898
Energy: 0.9724608121384298
Energy: 0.7668820469080817
Energy: 0.8922429009826609
Energy: 0.9949461992487284
Energy: 0.8922429009826609

minimum gb energy = 0.7127740557702716 eV
minimum distance =  2.27653983908551 Angstroms
sigma value = 41


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

Energy: 1.3032118518685072
Energy: 0.7564546470553417
Energy: 0.9085904723024962
Energy: 0.7564546470561799
Energy: 1.2257142654974835
Energy: 0.7280380058659998
Energy: 0.7079900837394697
Energy: 0.7280380058651613
Energy: 0.7798898026343615
Energy: 0.7094284180037203
Energy: 1.2376357756351746
Energy: 0.709428418002882
Energy: 0.9899982521135796
Energy: 0.7470048789252428
Energy: 0.7051893428700565
Energy: 0.7470048789244046
Energy: 0.7377725271991402
Energy: 0.8062856739828379
Energy: 0.6726371067404235
Energy: 0.8062856739828379
Energy: 0.9555118470589111
Energy: 0.7284114339535854
Energy: 0.7307286785298303
Energy: 0.7284114339552621
Energy: 0.7078446128568062
Energy: 0.7285728954708012
Energy: 0.7156844192270165
Energy: 0.7285728954699631
Energy: 0.7011636280798667
Energy: 0.7650427422945151
Energy: 0.7272591554534956
Energy: 0.7650427422945151
Energy: 0.7210922010777859
Energy: 0.7669620812704981
Energy: 1.1023576842188745
Energy: 0.7669620812780427
Energy: 0.660536534381489
Energy: 0.708317806104811
Energy: 0.7806907147242786
Energy: 0.7083178060956278
Energy: 0.7083672434997771
Energy: 0.728522265094614
Energy: 1.2728170766312714
Energy: 0.728522265094614
Energy: 0.6815283062683455
Energy: 0.7690584641976332
Energy: 1.3012534844204435
Energy: 0.7690584641842205
Energy: 0.7372952049548617
Energy: 0.768615553468313
Energy: 1.3690257465665199
Energy: 0.7686155534599302
Energy: 0.9144357084782911
Energy: 0.825050529015891
Energy: 0.7527507855686362
Energy: 0.8250505298990346
Energy: 0.7104518343102016
Energy: 0.7472316943107916
Energy: 1.1974706652270823
Energy: 0.7472316943099532
Energy: 1.0007703303436644
Energy: 0.7510832605015701
Energy: 0.7386654985422894
Energy: 0.7510832605015701
Energy: 0.7138470053635513
Energy: 0.7674369281317469
Energy: 0.9547689484427716
Energy: 0.7674369281283937
Energy: 0.7282742245992824
Energy: 0.8284112997773713
Energy: 0.734106226724205
Energy: 0.8284112997773713
Energy: 0.7081701648144144
Energy: 0.7659084855441454
Energy: 0.7056327867607689
Energy: 0.7659084855441454
Energy: 0.7914201120343135
Energy: 0.7498421593635382
Energy: 0.7229252604647829
Energy: 0.7498421593618616
Energy: 0.7667471664271499
Energy: 0.7521762136482799
Energy: 0.6572419822217958
Energy: 0.7521762136474416
Energy: 1.227256334388932
Energy: 0.7794514307984874
Energy: 0.7293625652187237
Energy: 0.7794514307859131
Energy: 1.301933156889752
Energy: 0.7514187679369314
Energy: 0.6861043587109409
Energy: 0.7514187679394081
Energy: 1.2331285289021852
Energy: 0.7532865183597852
Energy: 0.7219571236845651
Energy: 0.7532865183597852
Energy: 0.7835915787221672
Energy: 0.827515102111743
Energy: 0.6434473921638719
Energy: 0.827515102111743
Energy: 1.1965954302655342
Energy: 0.7813861182872327
Energy: 0.7083006488265794
Energy: 0.7813861185604024
Energy: 0.7080548972299125
Energy: 0.749360625647898
Energy: 1.002695013663835
Energy: 0.7493606257023488
Energy: 0.7210940496328354
Energy: 0.7651855206707997
Energy: 0.7251124978349053
Energy: 0.7651855206707997
Energy: 0.7369495259038517
Energy: 0.8257721359981547
Energy: 0.7325608326004991
Energy: 0.8257721359981547
Energy: 0.678124759511892
Energy: 0.8038195507066151
Energy: 0.7099454123828459
Energy: 0.8038195507066151
Energy: 0.7079079944156575
Energy: 0.749040145666976
Energy: 0.7782229405879622
Energy: 0.7490401456661377
Energy: 0.6817339724249442
Energy: 0.7513967572884581
Energy: 0.7583956821127714
Energy: 0.7513967573144454

minimum gb energy = 0.6434473921638719 eV
minimum distance =  2.27548296151132 Angstroms
sigma value = 15


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

Energy: 1.2784110494741092
Energy: 0.6787200842116137
Energy: 0.8480052582126706
Energy: 0.6787200842498974
Energy: 1.4640614853422198
Energy: 0.6645768434247941
Energy: 0.6766906033792591
Energy: 0.6645768434276348
Energy: 0.8439411859945521
Energy: 0.6772963292465313
Energy: 0.9207738160078226
Energy: 0.6772963292507923
Energy: 1.2224316598014704
Energy: 0.6738108780048836
Energy: 0.6732534028274166
Energy: 0.6738108780013327
Energy: 0.8102361343808056
Energy: 0.6698127770256957
Energy: 0.637209523573192
Energy: 0.6698127773437152
Energy: 1.1865333704753758
Energy: 0.6664027037684442
Energy: 0.6813409809444855
Energy: 0.6664027037457194
Energy: 0.6899283485360301
Energy: 0.6815656278960825
Energy: 0.7635307561653337
Energy: 0.6815656278960825
Energy: 0.9996140803592725
Energy: 0.6743155190946418
Energy: 0.6728916859558751
Energy: 0.6743155190882504
Energy: 0.6779571837582178
Energy: 0.6861543283486629
Energy: 1.1136350807229392
Energy: 0.6861543283472427
Energy: 0.737235676273002
Energy: 0.666711360503419
Energy: 0.8059104326910317
Energy: 0.6667113605041292
Energy: 0.68335064672651
Energy: 0.6734821238808004
Energy: 1.2216241143533446
Energy: 0.6734821238984898
Energy: 0.6142739796969663
Energy: 0.6970132171781865
Energy: 0.8387225416942587
Energy: 0.697013217175346
Energy: 0.6779227210315663
Energy: 0.6836642394496383
Energy: 1.480608409886163
Energy: 0.6836642394538991
Energy: 0.6283516140775041
Energy: 0.6684296337256572
Energy: 1.1676245088811175
Energy: 0.6684296337029322
Energy: 0.6782013416001603
Energy: 0.6672392991508574
Energy: 1.465865558914045
Energy: 0.6672392991260022
Energy: 0.8262407712066694
Energy: 0.6783912895545581
Energy: 0.8387208134905558
Energy: 0.6783912895538479
Energy: 0.6745694997518777
Energy: 0.695722053576961
Energy: 1.377340135195693
Energy: 0.6957220535783812
Energy: 0.8908547884105692
Energy: 0.6655621835201369
Energy: 0.8116120908739443
Energy: 0.6655621835606155
Energy: 0.6817403230447796
Energy: 0.6643357660770858
Energy: 1.197785816875876
Energy: 0.6643357660863178
Energy: 0.7678353432284801
Energy: 0.6673203397011513
Energy: 0.6780480899401793
Energy: 0.667320339708963
Energy: 0.6885018041713605
Energy: 0.7029297301539493
Energy: 0.9957808664985588
Energy: 0.7029297301631813
Energy: 0.7973218246876815
Energy: 0.6838568080997796
Energy: 0.6789878584085149
Energy: 0.6838568081033304
Energy: 0.8079713099664246
Energy: 0.6671747496364784
Energy: 0.7511080209369821
Energy: 0.6671747496428697
Energy: 1.2003232392919945
Energy: 0.6644074136912983
Energy: 0.6618125620187105
Energy: 0.6644074136941389
Energy: 0.8273372091992695
Energy: 0.7014542846939442
Energy: 0.6235219679311303
Energy: 0.7014542846974949
Energy: 1.4221013340135613
Energy: 0.6837387770709319
Energy: 0.6652452891218885
Energy: 0.683738777075903
Energy: 1.2788376209494114
Energy: 0.6761130818045372
Energy: 0.625561438151258
Energy: 0.6761130818414652
Energy: 1.573576643759005
Energy: 0.6638904948195141
Energy: 0.6893214094773255
Energy: 0.6638904948195141
Energy: 0.8397635366884665
Energy: 0.7005552696556665
Energy: 0.6165559853213816
Energy: 0.7005552887098565
Energy: 1.2313079802877438
Energy: 0.6930026192345875
Energy: 0.6737459777465241
Energy: 0.6930026192338773
Energy: 0.807637123907341
Energy: 0.6659170323378337
Energy: 0.8938924424188366
Energy: 0.6659170323392541
Energy: 1.2033435890741018
Energy: 0.6708698867485757
Energy: 0.6694557004073892
Energy: 0.6708698867499959
Energy: 0.6831630324370295
Energy: 0.7007353863245778
Energy: 0.7678699163924397
Energy: 0.7007353862485912
Energy: 0.7786338969304661
Energy: 0.7034661570310488
Energy: 0.6879055540223621
Energy: 0.7034661570310488
Energy: 0.6509076385361712
Energy: 0.6663128497775577
Energy: 0.8176227183266547
Energy: 0.6663128516160156
Energy: 0.7328157645431352
Energy: 0.6668920336385129
Energy: 0.7966033192908558
Energy: 0.6668920336484551
Energy: 0.6620949151956982
Energy: 1.009257868799029
Energy: 1.1985104648462472
Energy: 1.0092578688004494

minimum gb energy = 0.6142739796969663 eV
minimum distance =  2.26543913711034 Angstroms
sigma value = 85


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

Energy: 1.091416312619684
Energy: 0.6655963834363976
Energy: 0.5100631822973513
Energy: 0.6655963834308543
Energy: 1.464136208810721
Energy: 0.6657525114049346
Energy: 0.632066014530729
Energy: 0.6657525114147893
Energy: 1.0495502393097498
Energy: 0.6684053152648841
Energy: 0.5233132436893217
Energy: 0.6684053152648841
Energy: 1.3534352157019953
Energy: 0.6658915998392382
Energy: 0.6299942435824384
Energy: 0.6658915998558679
Energy: 0.6850022019859935
Energy: 0.6179320854485075
Energy: 0.5347466965918158
Energy: 0.6179320854485075
Energy: 1.1248369849916275
Energy: 0.6655460338799873
Energy: 0.6293279546371919
Energy: 0.6655460338769078
Energy: 0.6380945446271684
Energy: 0.7029774652837152
Energy: 0.6133796027831584
Energy: 0.7029774652855629
Energy: 0.9815529293085703
Energy: 0.6634069586066432
Energy: 0.640872288647718
Energy: 0.6634069586054113
Energy: 0.6203007107453201
Energy: 0.65291364635962
Energy: 0.775005964588762
Energy: 0.6529136463602359
Energy: 0.7904272299960963
Energy: 0.6910593082452903
Energy: 0.6387807958130042
Energy: 0.6910593082440584
Energy: 0.630017607183855
Energy: 0.6667868278245458
Energy: 0.9757489360518782
Energy: 0.6667868278245458
Energy: 0.5429923914920041
Energy: 0.6636271392166325
Energy: 0.6853804660777753
Energy: 0.6636271392110893
Energy: 0.6404621325979459
Energy: 0.6421732598435207
Energy: 1.2539959758576484
Energy: 0.6421732598330501
Energy: 0.5232548430708646
Energy: 0.668844521381219
Energy: 1.050092536711067
Energy: 0.668844521380603
Energy: 0.6291981783608913
Energy: 0.6681006572304422
Energy: 1.5021588531506642
Energy: 0.6681006572329058
Energy: 0.5392181430059577
Energy: 0.664016472896247
Energy: 1.0919589434998744
Energy: 0.6640164728950151
Energy: 0.6403161987649385
Energy: 0.6402532238010907
Energy: 1.501892802892204
Energy: 0.640253223800475
Energy: 0.6865287217743287
Energy: 0.6764094564281514
Energy: 1.049814699922875
Energy: 0.6764094564281514
Energy: 0.6330860127816735
Energy: 0.6775749121829436
Energy: 1.2957221969279409
Energy: 0.6775749121847915
Energy: 0.8034452801194675
Energy: 0.6664964599845067
Energy: 0.6853550394439887
Energy: 0.6664964599955651
Energy: 0.6300808648597889
Energy: 0.6390837861998251
Energy: 1.1234572399955263
Energy: 0.639083786201057
Energy: 0.5938806498962066
Energy: 0.6653957144741937
Energy: 0.6388823566295375
Energy: 0.6653957144680345
Energy: 0.6329437182712125
Energy: 0.6653620039313859
Energy: 0.9822591131631541
Energy: 0.6653620039332336
Energy: 0.6716305499504757
Energy: 0.6903454636098895
Energy: 0.6297518488199959
Energy: 0.6903454636006506
Energy: 0.63175055172148
Energy: 0.6646002979928757
Energy: 0.7893690002703933
Energy: 0.6646002979928757
Energy: 1.0124760850941872
Energy: 0.665322135167206
Energy: 0.6272851013428481
Energy: 0.665322135167206
Energy: 0.6773192761748286
Energy: 0.6660097413986981
Energy: 0.5361027307221103
Energy: 0.6660097413993141
Energy: 1.0741382638119337
Energy: 0.6908374019135656
Energy: 0.641121412716909
Energy: 0.6908374019141816
Energy: 1.051239692964786
Energy: 0.6628324570420221
Energy: 0.5231602975773104
Energy: 0.6628324570420221
Energy: 1.501400028518929
Energy: 0.666652826338346
Energy: 0.6309634889724235
Energy: 0.6666528263389621
Energy: 1.093251142230978
Energy: 0.6653470120513554
Energy: 0.5402012471163428
Energy: 0.6653470121948081
Energy: 1.401641400754725
Energy: 0.6906385644148703
Energy: 0.6404435112296644
Energy: 0.6906385644142543
Energy: 1.0512062671166185
Energy: 0.6627250436811553
Energy: 0.522074268471802
Energy: 0.6627250436799232
Energy: 1.3311533823510804
Energy: 0.6651492650826107
Energy: 0.6332148307886476
Energy: 0.6651492655098614
Energy: 0.6869134566853321
Energy: 0.6656672599646904
Energy: 0.7739967131302539
Energy: 0.6656672599720814
Energy: 1.0214815996701516
Energy: 0.6909366700607477
Energy: 0.6297155619535931
Energy: 0.6909366700656752
Energy: 0.6320545558276536
Energy: 0.663416836081453
Energy: 0.8521295247018782
Energy: 0.6634168360826848
Energy: 0.9821911941878857
Energy: 0.6648309367338462
Energy: 0.6318048969184753
Energy: 0.6648309367338462
Energy: 0.6305357013496192
Energy: 0.6652511500898166
Energy: 0.6762648640307639
Energy: 0.6652511500110072
Energy: 0.5736690894859902
Energy: 0.7155258324964257
Energy: 0.6203209013639274
Energy: 0.7155258324951937
Energy: 0.6320150841322245
Energy: 0.6639978960697883
Energy: 1.0292901099133855
Energy: 0.6639978960402243
Energy: 0.548604636738353
Energy: 0.6642944667037907
Energy: 0.6789305865149587
Energy: 0.6642944662032739
Energy: 0.6332951275949413
Energy: 0.6646988587892788
Energy: 1.0764407223820431
Energy: 0.6646988587892788

minimum gb energy = 0.5100631822973513 eV
minimum distance =  2.27788569900805 Angstroms
sigma value = 113


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

Energy: 0.019220623485120072
Energy: 0.02083655933967682
Energy: 0.608474462892542
Energy: 0.020836559339203337
Energy: 0.6088954872156063
Energy: 0.03729416451425566
Energy: 0.0364136821111879
Energy: 0.037294164517043954
Energy: 0.019220623485120072
Energy: 0.020836559339203337
Energy: 0.6084844061864896
Energy: 0.020836559339203337
Energy: 0.6088954872160797
Energy: 0.03729416451425566
Energy: 0.03641368211026723
Energy: 0.03729416452398841
Energy: 0.019220623485120072
Energy: 0.020836559339203337
Energy: 0.6084604339815851
Energy: 0.020836559339203337
Energy: 0.6088954872165532
Energy: 0.037294164516123295
Energy: 0.03641368210982005
Energy: 0.03729416452167359

minimum gb energy = 0.019220623485120072 eV
minimum distance =  2.43023640875597 Angstroms
sigma value = 1