Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=2.865948021411896
cohesive_energy=4.290335425356015
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[5.2308343399822196e-21, 4.26648422397762e-20, 1.223665608570768e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700975597574279e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.108292869156428e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18]
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: -2.38418579101562e-07 eV

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

Energy: 0.013162618643808794
Energy: 0.014009275464028198
Energy: 1.9474889730004155
Energy: 1.0840099223438555
Energy: 0.014009275464028198
Energy: 0.21826830912221717
Energy: 1.0829766849195437
Energy: 0.21826830912221717
Energy: 1.9474889730004155
Energy: 1.0829766849195437
Energy: 1.3124481302301025
Energy: 1.0829766849205138
Energy: 1.0840099223418873
Energy: 0.21826830912221717
Energy: 1.0829766849195437
Energy: 0.21826830912221717

minimum gb energy = 0.013162618643808794 eV
minimum distance =  2.43966963105914 Angstroms
sigma value = 1


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

Energy: 2.102945090584445
Energy: 1.070692983759187
Energy: 1.2311414756353996
Energy: 1.2323052950723359
Energy: 1.9366185894969
Energy: 0.945701475424688
Energy: 0.9478269764220282
Energy: 0.9457014754258982
Energy: 1.9421070824792774
Energy: 0.9460695532593997
Energy: 0.9466977462907351
Energy: 0.9460695532569791
Energy: 1.9462042993237643
Energy: 0.9458600999896127
Energy: 0.9464339391555626
Energy: 0.9458600999896127
Energy: 1.9429285860453
Energy: 0.9470355873272054
Energy: 1.2281954276874938
Energy: 0.9470355873332567
Energy: 1.9452567568737615
Energy: 0.94542516073671
Energy: 1.261048667056706
Energy: 0.94542516073671
Energy: 1.6421180722894775
Energy: 0.945672877455651
Energy: 1.274705237152269
Energy: 0.945672877459282
Energy: 1.6446673957105211
Energy: 0.945619997500853
Energy: 1.2755165215603537
Energy: 0.9456199975032736
Energy: 1.6285216781352396
Energy: 0.9465877717598501
Energy: 1.2752259032050075
Energy: 0.9465877717622706
Energy: 1.6526905282063793
Energy: 1.0138923968814275
Energy: 1.6484055679888656
Energy: 1.0138923968814275
Energy: 1.5986106191628562
Energy: 0.9459092342503523
Energy: 1.5513158028231402
Energy: 0.9459092342515626
Energy: 1.273762977337406
Energy: 0.9458632952027134
Energy: 1.646718935927376
Energy: 0.9458632952027134
Energy: 1.3387944594435917
Energy: 0.9454617276222905
Energy: 1.6425493816520291
Energy: 0.9454617276259212
Energy: 1.2623410684544545
Energy: 0.9462839051396285
Energy: 1.9457117016849366
Energy: 0.9462839051420491
Energy: 1.262670053058078
Energy: 0.9470991624203825
Energy: 1.7284749896159466
Energy: 0.9470991624215928
Energy: 0.9464064493694934
Energy: 0.9465711272346136
Energy: 1.941958525349095
Energy: 0.9465711272358239
Energy: 0.9464192595432332
Energy: 0.946140035374045
Energy: 1.9474136804999589
Energy: 0.9461400353764655
Energy: 0.9690661708563229
Energy: 0.953833568063591
Energy: 1.9438591435759565
Energy: 0.953833568063591
Energy: 0.9462099084942821
Energy: 0.9472652442410587
Energy: 1.8329628035150531
Energy: 0.9472652442398485
Energy: 1.0740216029740022
Energy: 0.9457980809258341
Energy: 1.9441862079707672
Energy: 0.9457980809258341
Energy: 1.063013147076479
Energy: 0.9462237396113777
Energy: 1.944166903598154
Energy: 0.9462237396113777
Energy: 1.0630982706740202
Energy: 0.9461784343382356
Energy: 1.8417577533603067
Energy: 0.9461784343321843
Energy: 1.0731453746743145
Energy: 0.9468780000950053
Energy: 1.6436931832142003
Energy: 0.946878000093795
Energy: 1.466777479886834
Energy: 0.9461643888608422
Energy: 1.837877123549
Energy: 0.9461643888620525
Energy: 1.4612380498436994
Energy: 1.1107623815361183
Energy: 1.8348614218663999
Energy: 1.1107623815385388
Energy: 1.460351771277004
Energy: 1.0150381689408385
Energy: 1.4618937365987597
Energy: 1.0150381689408385
Energy: 1.4648024319748114
Energy: 1.014549805223303
Energy: 1.461557052175486
Energy: 1.014549805223303
Energy: 1.8371291447234537
Energy: 0.9461706556563803
Energy: 1.4611758933244425
Energy: 0.9461706556563803
Energy: 1.7295371010562908
Energy: 0.9462530438938612
Energy: 1.4646717705737204
Energy: 0.9462530438987024
Energy: 1.7289080566856512
Energy: 0.9460031572868338
Energy: 1.062787739459524
Energy: 0.9460031572868338
Energy: 1.8376001928114776
Energy: 0.9460750881085501
Energy: 1.0735779210365428
Energy: 0.9460750881061296
Energy: 1.9414290544131994
Energy: 0.9464532968472195
Energy: 1.04938668410349
Energy: 0.9464532968496399
Energy: 1.9423886259552356
Energy: 0.9466901335171088
Energy: 1.0507601801104163
Energy: 0.9466901335171088

minimum gb energy = 0.94542516073671 eV
minimum distance =  2.37195136545388 Angstroms
sigma value = 1


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

Energy: 2.3349317032972943
Energy: 1.1631058670083736
Energy: 0.9891678828005153
Energy: 0.9879545711549421
Energy: 1.8654089502895874
Energy: 0.9889282787848455
Energy: 0.9883345100784846
Energy: 0.9889282787848455
Energy: 1.8827335313626103
Energy: 0.9879473678000503
Energy: 0.9871451727195008
Energy: 0.9879473678014302
Energy: 1.8846984100897595
Energy: 0.988169558240546
Energy: 0.9885739417861227
Energy: 0.9881695582419259
Energy: 1.9665776417995249
Energy: 0.9894201115947561
Energy: 1.0274084273320503
Energy: 0.9894201115933762
Energy: 1.884432976384905
Energy: 0.9889194466758414
Energy: 1.231456910012233
Energy: 0.9889194466758414
Energy: 1.6750767697804954
Energy: 0.9890225645190854
Energy: 1.234876488159473
Energy: 0.9890225645177055
Energy: 1.6759992641372525
Energy: 1.0714193043845035
Energy: 1.2491382942430225
Energy: 1.0714193043845035
Energy: 1.665030755126081
Energy: 0.988285758261285
Energy: 1.2482664721580774
Energy: 0.988285758261285
Energy: 1.6751740676463542
Energy: 1.071303622486505
Energy: 1.6635102591971596
Energy: 1.071303622486505
Energy: 1.5274002273854186
Energy: 0.988343734297145
Energy: 1.4491191784675481
Energy: 0.988343734297145
Energy: 1.2341106789120806
Energy: 0.9908965055797251
Energy: 1.4514782474384795
Energy: 0.9908965055783452
Energy: 1.2945524498793937
Energy: 1.0713618475983047
Energy: 1.6649838053310388
Energy: 1.0713618475996844
Energy: 1.2184673386533942
Energy: 0.9878460544396357
Energy: 1.8842844973491988
Energy: 0.9878460544396357
Energy: 1.2182769727130283
Energy: 0.988710567840569
Energy: 1.8659111550541456
Energy: 0.9887105678391891
Energy: 0.9887541981856383
Energy: 0.9883057452573206
Energy: 1.8649892331412306
Energy: 0.9883057452587005
Energy: 0.9875161681498177
Energy: 0.9880652806199827
Energy: 1.8830483835321823
Energy: 0.9880652806199827
Energy: 0.9873342377647182
Energy: 0.9880716709598893
Energy: 1.8841522577087286
Energy: 0.9880716709612379
Energy: 0.988274030475227
Energy: 0.9888511480367952
Energy: 1.661128206725523
Energy: 0.9888511480381751
Energy: 1.232493898612613
Energy: 0.9882019479762774
Energy: 1.8844997745918983
Energy: 0.9882019479776574
Energy: 1.2339121896658682
Energy: 0.9874683989563631
Energy: 1.8827695456956852
Energy: 0.9874683989563631
Energy: 1.2490280103605351
Energy: 1.0707875899870523
Energy: 1.6753648671899388
Energy: 1.0707875899870523
Energy: 1.2483962242282929
Energy: 0.9880530120036999
Energy: 1.6660526138094898
Energy: 0.9880530120036999
Energy: 1.6640359897196373
Energy: 1.0717037635525621
Energy: 1.6759023605410255
Energy: 1.0717037635525621
Energy: 1.4493273622264689
Energy: 0.9883885017906728
Energy: 1.6762439606390456
Energy: 0.9883885017906728
Energy: 1.4492739885482788
Energy: 0.9897482763391929
Energy: 1.2190857182898533
Energy: 0.9897482763405728
Energy: 1.6657174440015028
Energy: 1.0716321299188243
Energy: 1.2933610360638217
Energy: 1.0716321299160643
Energy: 1.884051111163968
Energy: 0.987569890373789
Energy: 1.2193236643708985
Energy: 0.987569890372409
Energy: 1.8666262593208631
Energy: 0.9887124425961372
Energy: 1.2191172863030493
Energy: 0.9887124425961372

minimum gb energy = 0.9871451727195008 eV
minimum distance =  2.38265324775032 Angstroms
sigma value = 25


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

Energy: 2.2223985108195365
Energy: 1.1761771460496286
Energy: 1.529403117188561
Energy: 1.0606513355252585
Energy: 1.7850571056555309
Energy: 1.095690777304732
Energy: 1.0612626549428281
Energy: 1.095690777304732
Energy: 1.8014882287753577
Energy: 1.061007273054743
Energy: 1.059390223277394
Energy: 1.0610072730531388
Energy: 1.8022428152189902
Energy: 1.0608177218135115
Energy: 1.0606069804430243
Energy: 1.0608177218135115
Energy: 2.008234184262105
Energy: 1.060957601519971
Energy: 1.5050812308040862
Energy: 1.060957601518367
Energy: 1.802162121077172
Energy: 1.0867125425992492
Energy: 1.4378981350317441
Energy: 1.0867125425976452
Energy: 1.8026576190218286
Energy: 1.151940097469123
Energy: 1.4708884104931215
Energy: 1.151940097469123
Energy: 1.4656982728194268
Energy: 1.1528002381905387
Energy: 1.470326360273739
Energy: 1.1528002381921425
Energy: 1.4707656425214843
Energy: 1.1522314189647784
Energy: 1.4660431287945024
Energy: 1.1522314189647784
Energy: 1.44352299760494
Energy: 1.0603140659686985
Energy: 1.8026695069906788
Energy: 1.0603140659686985
Energy: 1.4133849522817117
Energy: 1.0607898159719014
Energy: 1.8061495252931137
Energy: 1.0607898159719014
Energy: 1.0601947838347867
Energy: 1.060175934227825
Energy: 1.8053794854706726
Energy: 1.0601759342310333
Energy: 1.0592335248299396
Energy: 1.0608524123315943
Energy: 1.8009353985321679
Energy: 1.0608524123315943
Energy: 1.0950854919397743
Energy: 1.060703888836523
Energy: 1.8023510274729089
Energy: 1.060703888834919
Energy: 1.0625108723462524
Energy: 1.0609090247195019
Energy: 1.6909911289587995
Energy: 1.0609090247195019
Energy: 1.188987767837515
Energy: 1.0606925678212493
Energy: 1.7990337366152673
Energy: 1.0606925678244576
Energy: 1.215518394249448
Energy: 1.0601832484663987
Energy: 1.8025267897280846
Energy: 1.0601832484663987
Energy: 1.2161733701511752
Energy: 1.0602266022384987
Energy: 1.6892315544037404
Energy: 1.0602266022384987
Energy: 1.249831528045933
Energy: 1.0611935234160947
Energy: 1.6028911665757328
Energy: 1.0611935234144907
Energy: 1.6890351834339856
Energy: 1.154513652488864
Energy: 1.6897057198349892
Energy: 1.1545136524856556
Energy: 1.567838321914813
Energy: 1.0602783961344162
Energy: 1.6895583446616151
Energy: 1.060278396132812
Energy: 1.5766418960101152
Energy: 1.0605461115284753
Energy: 1.217500870398232
Energy: 1.0605461115284753
Energy: 1.6900963272531078
Energy: 1.0604221104100369
Energy: 1.23685160246712
Energy: 1.0604221104100369
Energy: 1.802774599838343
Energy: 1.0605349638206927
Energy: 1.274521161660002
Energy: 1.0605349638206927
Energy: 1.803857978770828
Energy: 1.060993942710482
Energy: 1.189922558844926
Energy: 1.060993942708878

minimum gb energy = 1.0592335248299396 eV
minimum distance =  2.36896245782022 Angstroms
sigma value = 9


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

Energy: 2.2675070637326153
Energy: 1.2773531267938396
Energy: 1.1805833364519225
Energy: 1.1806211600692318
Energy: 1.7009928865723793
Energy: 1.1807773117386657
Energy: 1.180608009816111
Energy: 1.1807773117401879
Energy: 1.8147806493485028
Energy: 1.1800744917478545
Energy: 1.179389209366072
Energy: 1.1800744917484198
Energy: 1.8151003145516613
Energy: 1.2653648944228273
Energy: 1.1803246247218455
Energy: 1.265364894422262
Energy: 1.7689005814291048
Energy: 1.18056584991156
Energy: 1.2959439701516655
Energy: 1.180565849910973
Energy: 1.699769457003151
Energy: 1.1804029690251692
Energy: 1.3071068661068987
Energy: 1.180402969024778
Energy: 1.6994465873944886
Energy: 1.1897498986844492
Energy: 1.3191119030793985
Energy: 1.1897498986840578
Energy: 1.5322801915062143
Energy: 1.1887891174138594
Energy: 1.3521941606915742
Energy: 1.1887891174142509
Energy: 1.5295349024869038
Energy: 1.1889948660455616
Energy: 1.3527916853105268
Energy: 1.1889948660472793
Energy: 1.5293847476054883
Energy: 1.1891223804622317
Energy: 1.6648685320525984
Energy: 1.1891223804624274
Energy: 1.3513874323706159
Energy: 1.089998846263038
Energy: 1.6646479065120852
Energy: 1.0899988462628423
Energy: 1.2469113461228511
Energy: 1.0906959516280958
Energy: 1.664591540480731
Energy: 1.0906959516286612
Energy: 1.2432994548025593
Energy: 1.089747086450734
Energy: 1.6652257406300532
Energy: 1.0897470864518863
Energy: 1.2435478046171387
Energy: 1.3030931322817685
Energy: 1.612438175651318
Energy: 1.30309313228216
Energy: 1.2437306443545977
Energy: 1.090203346673658
Energy: 1.7692526549996657
Energy: 1.0902033466744192
Energy: 1.4074820677005537
Energy: 1.2544727885478715
Energy: 1.6124543053662375
Energy: 1.2544727885488285
Energy: 1.2992266676047783
Energy: 1.30289591068521
Energy: 1.6120037188880951
Energy: 1.30289591068521
Energy: 1.299027188858251
Energy: 1.3033988172561055
Energy: 1.4994155718959536
Energy: 1.3033988172561055
Energy: 1.5156041941713392
Energy: 1.3030565125736402
Energy: 1.622809624396537
Energy: 1.3030565125742055
Energy: 1.8149137184791775
Energy: 1.3027756512728885
Energy: 1.4989959909843436
Energy: 1.3027756512726927
Energy: 1.7008003334249657
Energy: 1.1809521786899133
Energy: 1.457445761593164
Energy: 1.1809521786902832

minimum gb energy = 1.089747086450734 eV
minimum distance =  2.34654036526005 Angstroms
sigma value = 25


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

Energy: 1.7704033919627475
Energy: 1.2696462424861874
Energy: 1.21895645366857
Energy: 1.2185544116817004
Energy: 1.510671612857167
Energy: 1.2377456911132199
Energy: 1.2367082094748314
Energy: 1.2377456911132199
Energy: 1.575584709430296
Energy: 1.21859230432911
Energy: 1.2177559375934492
Energy: 1.218592304329594
Energy: 1.5845848467889525
Energy: 1.2233483248519192
Energy: 1.222231421088338
Energy: 1.2233483248540438
Energy: 1.490571594178035
Energy: 1.2186378451632687
Energy: 1.5268185894181312
Energy: 1.2186378451632687
Energy: 1.5761462709872798
Energy: 1.219662436203521
Energy: 1.5763130577108395
Energy: 1.21966243620422
Energy: 1.5246705450007898
Energy: 1.220760348657272
Energy: 1.6348997798221796
Energy: 1.2207603486601226
Energy: 1.223380168205305
Energy: 1.224344080251741
Energy: 1.6324648592993412
Energy: 1.224344080251983
Energy: 1.2229969613913028
Energy: 1.219177464774762
Energy: 1.5750002442326752
Energy: 1.2191774647764022
Energy: 1.2400775265630029
Energy: 1.2191162689411315
Energy: 1.5848943414838794
Energy: 1.2191162689425565
Energy: 1.2212679842125327
Energy: 1.2194416901068825
Energy: 1.58484000460447
Energy: 1.2194416901068825
Energy: 1.4287997056822752
Energy: 1.237492257035279
Energy: 1.5847089330401123
Energy: 1.2374922570343112
Energy: 1.4385437499158062
Energy: 1.2200139247225956
Energy: 1.5856153961050223
Energy: 1.2200139247225956
Energy: 1.4383871785378772
Energy: 1.3150306222493469
Energy: 1.4422022982077844
Energy: 1.3150306222505301
Energy: 1.453869513815049
Energy: 1.2177759280458713
Energy: 1.4953525807566403
Energy: 1.2177759280453873
Energy: 1.5251003973012043
Energy: 1.3147864414415509
Energy: 1.453650264505682
Energy: 1.3147864414408517
Energy: 1.5105458657118171
Energy: 1.2182404451411106
Energy: 1.3775195965029619
Energy: 1.2182404451413258

minimum gb energy = 1.2177559375934492 eV
minimum distance =  2.35479162760493 Angstroms
sigma value = 17


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

Energy: 2.389370098545716
Energy: 1.2641451378029973
Energy: 1.258160312333143
Energy: 1.25600961888908
Energy: 1.4793784763885076
Energy: 1.2567396012651684
Energy: 1.4337114558726982
Energy: 1.2567396012665086
Energy: 1.5186450198537402
Energy: 1.25851878484439
Energy: 1.2572863728446686
Energy: 1.25851878484439
Energy: 1.5064619676930566
Energy: 1.251439339072401
Energy: 1.2507511216301366
Energy: 1.2514393390737413
Energy: 1.505126205462897
Energy: 1.340850991054069
Energy: 1.487517536888265
Energy: 1.3408509910554092
Energy: 1.5164599054190306
Energy: 1.321780502058606
Energy: 1.4926830079487599
Energy: 1.321780502058606
Energy: 1.414026876644959
Energy: 1.2517121656663903
Energy: 1.4950499915830624
Energy: 1.25171216566505
Energy: 1.310549615471922
Energy: 1.3237402352860144
Energy: 1.4994754841816196
Energy: 1.323740235288695
Energy: 1.2729195190754554
Energy: 1.251284505699334
Energy: 1.4855793613205828
Energy: 1.251284505700674
Energy: 1.2602302124520375
Energy: 1.2511901421183793
Energy: 1.4937598314977345
Energy: 1.2511901421156986
Energy: 1.2961240109699619
Energy: 1.366548674193784
Energy: 1.5017503743245864
Energy: 1.3665486741911033
Energy: 1.4960752283877152
Energy: 1.2535063415688894
Energy: 1.4921221279180723
Energy: 1.2535063415675491
Energy: 1.4976548347211744
Energy: 1.261817658966857
Energy: 1.495620960775121
Energy: 1.261817658968197
Energy: 1.4976027980370064
Energy: 1.2529892973738188
Energy: 1.259786758703717
Energy: 1.252989297375159
Energy: 1.4858114906473128
Energy: 1.2512712462868552
Energy: 1.2599680405756455
Energy: 1.2512712462881954
Energy: 1.4857285400688331
Energy: 1.2510827576058254
Energy: 1.2880847570099345
Energy: 1.2510827576058254
Energy: 1.513702340661031
Energy: 1.2496854316013184
Energy: 1.258016082664675
Energy: 1.249685431603999
Energy: 1.5004305336586992
Energy: 1.2744590042579553
Energy: 1.445379871557489
Energy: 1.274459004256615
Energy: 1.4861258507638333
Energy: 1.3326198200051333
Energy: 1.499651291401818
Energy: 1.3326198200051333
Energy: 1.2788253948363655
Energy: 1.3418885821905637
Energy: 1.5772554345450234
Energy: 1.3418885821892235
Energy: 1.250107157611261
Energy: 1.2586316674005562
Energy: 1.4988149218134967
Energy: 1.2586316673965352
Energy: 1.2763621408512715
Energy: 1.2584823338783946
Energy: 1.5171291048339874
Energy: 1.258482333877054
Energy: 1.324017243970926
Energy: 1.306385546871916
Energy: 1.492804512811344
Energy: 1.3063855468973815
Energy: 1.3285578551100008
Energy: 1.2610317782874028
Energy: 1.5125073286098343
Energy: 1.261031778284722
Energy: 1.3951015549200083
Energy: 1.3371204531900478
Energy: 1.5003837970593656
Energy: 1.3371204531900478
Energy: 1.3821326492770267
Energy: 1.257235965729715
Energy: 1.5323887065691377
Energy: 1.2572359657310552
Energy: 1.3963127198286414
Energy: 1.3365698222648212
Energy: 1.3864791071884954
Energy: 1.336569822263481
Energy: 1.5169126646903213
Energy: 1.2565425672068902
Energy: 1.3827919542058265
Energy: 1.2565425672055497
Energy: 1.5182201618962414
Energy: 1.2569283161112506
Energy: 1.5268968108518552
Energy: 1.256928316112591
Energy: 1.5207365011188867
Energy: 1.2610397180490296
Energy: 1.3300160044568274
Energy: 1.261039718047689

minimum gb energy = 1.2496854316013184 eV
minimum distance =  2.34706465461495 Angstroms
sigma value = 53


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

Energy: 1.1549467528744668
Energy: 1.1689364730698306
Energy: 1.1951583407417434
Energy: 1.7065544460779631
Energy: 1.158545584202548
Energy: 1.1871222451174268
Energy: 1.292514209107189
Energy: 1.1871222451177073
Energy: 1.4398967932771656
Energy: 1.2041008146293566
Energy: 1.2000836758603823
Energy: 1.2041008146274983
Energy: 1.4420928044218855
Energy: 1.210699102413319
Energy: 1.2939420842250182
Energy: 1.2106991024130032
Energy: 1.1993972370643189
Energy: 1.1897203236028104
Energy: 1.2934456461460162
Energy: 1.1897203236022145
Energy: 1.4418562999699263
Energy: 1.1850622429188886
Energy: 1.293707251196651
Energy: 1.1850622429182576
Energy: 1.2932014553569782
Energy: 1.2076056589470399
Energy: 1.15932688476773
Energy: 1.2076056589479514
Energy: 1.2946486987558112
Energy: 1.1893384389857273
Energy: 1.160032750705176
Energy: 1.1893384389851311
Energy: 1.2894166817033998
Energy: 1.1892751807072053
Energy: 1.2933017676081997
Energy: 1.1892751807093793
Energy: 1.290778550197477
Energy: 1.184685764178723
Energy: 1.442415572011616
Energy: 1.1846857641790383
Energy: 1.2884774922759485
Energy: 1.1890377834462025
Energy: 1.1991200632046866
Energy: 1.189037783446483
Energy: 1.2937739839618747
Energy: 1.189649874665618
Energy: 1.4419081309826987
Energy: 1.1896498746662492
Energy: 1.1599725917429358
Energy: 1.2048067728548693
Energy: 1.2923098310317327
Energy: 1.2048067728548693

minimum gb energy = 1.1549467528744668 eV
minimum distance =  2.36546379278223 Angstroms
sigma value = 9


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

Energy: 1.8638321650114085
Energy: 1.4192904688866466
Energy: 1.862093534694808
Energy: 1.4226905939891759
Energy: 1.5611562853896634
Energy: 1.3739279237754773
Energy: 1.5343433810087148
Energy: 1.3739279237743354
Energy: 1.374785618407019
Energy: 1.363745314549186
Energy: 1.373755720078991
Energy: 1.3637453145469018
Energy: 1.3735044286635498
Energy: 1.3635162547337256
Energy: 1.3714012597781293
Energy: 1.3635162547360098
Energy: 1.3686764484977079
Energy: 1.3629363212098946
Energy: 1.3753948946058527
Energy: 1.3629363212144627
Energy: 1.512665955630485
Energy: 1.3724054941130022
Energy: 1.46322392961027
Energy: 1.3724054941130022
Energy: 1.5534065475083407
Energy: 1.503449270109137
Energy: 1.6450887886359185
Energy: 1.503449270111421
Energy: 1.59401380124986
Energy: 1.3723053191935355
Energy: 1.6446699340956388
Energy: 1.3723053191935355
Energy: 1.5513811454030952
Energy: 1.3130803079519489
Energy: 1.4631730891050658
Energy: 1.313080307954233
Energy: 1.4252968072597318
Energy: 1.413981012174006
Energy: 1.3109401367889504
Energy: 1.413981012175148
Energy: 1.5808877492864286
Energy: 1.3115865526129245
Energy: 1.3089021055533636
Energy: 1.3115865526140664
Energy: 1.580730934504172
Energy: 1.3871692927978438
Energy: 1.3842649718678923
Energy: 1.38716929279556
Energy: 1.6460782814328792
Energy: 1.4382221995492137
Energy: 1.4379268507532337
Energy: 1.4382221995492137
Energy: 1.6476872890290455
Energy: 1.3932350073113835
Energy: 1.5636591018016455
Energy: 1.3932350073125255
Energy: 1.580870381156927
Energy: 1.3889757287471578
Energy: 1.6698634605028757
Energy: 1.3889757287437317
Energy: 1.4614408546047093
Energy: 1.4417608410271296
Energy: 1.6539815226929806
Energy: 1.4417608410282716
Energy: 1.3233171320110164
Energy: 1.3240329813302154
Energy: 1.6548615108149591
Energy: 1.3240329813336413
Energy: 1.352014997681147
Energy: 1.3954745246508227
Energy: 1.5938991401033697
Energy: 1.3954745246519646
Energy: 1.3664140434095988
Energy: 1.3978505676708837
Energy: 1.6503813367125764
Energy: 1.3978505676697415
Energy: 1.3615185169265513
Energy: 1.4507457202751746
Energy: 1.6521242426831264
Energy: 1.4507457202751746
Energy: 1.5689697551514412
Energy: 1.3797539121193814
Energy: 1.6110391297229012
Energy: 1.3797539121205233
Energy: 1.6419929091293066
Energy: 1.3727633224431992
Energy: 1.5691261326233141
Energy: 1.3727633224454834
Energy: 1.6423872799011103
Energy: 1.3669421974703664
Energy: 1.3633788930876962
Energy: 1.3669421974669402
Energy: 1.6219375681696102
Energy: 1.3810378051198615
Energy: 1.3685600275930223
Energy: 1.3810378051198615
Energy: 1.6830079270174636
Energy: 1.3878440034974144
Energy: 1.3224679845463356
Energy: 1.3878440034974144
Energy: 1.5407645446143714
Energy: 1.4446380199977182
Energy: 1.324784786593221
Energy: 1.4446380199965763
Energy: 1.6578224808813695
Energy: 1.3244779138413456
Energy: 1.5815667235937518
Energy: 1.3244779138413456
Energy: 1.6652242481578434
Energy: 1.4161508355315644
Energy: 1.565116331488874
Energy: 1.4161508355327064
Energy: 1.3927540544347405
Energy: 1.442244310872824
Energy: 1.6401385707545804
Energy: 1.4422443108762502
Energy: 1.4361156208120904
Energy: 1.38624836834222
Energy: 1.5797129521354345
Energy: 1.386248368341078
Energy: 1.3109829761296188
Energy: 1.3720565360852919
Energy: 1.5468396649105072
Energy: 1.372056536088718
Energy: 1.3116446307706262
Energy: 1.3122683390907535
Energy: 1.5584131482787897
Energy: 1.3122683390907535
Energy: 1.4232622150789662
Energy: 1.4149409956658596
Energy: 1.5418425159792275
Energy: 1.4149409956681436
Energy: 1.4628070980065981
Energy: 1.3722807702283852
Energy: 1.6326859306368937
Energy: 1.3722807702261013
Energy: 1.6397094121051696
Energy: 1.5201325814610247
Energy: 1.4848674305118226
Energy: 1.5201325814587405

minimum gb energy = 1.3089021055533636 eV
minimum distance =  2.29149819907756 Angstroms
sigma value = 73


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

Energy: 1.8978520058093529
Energy: 1.4548710107411558
Energy: 1.4722925515314595
Energy: 1.4713107844245708
Energy: 1.6519660591440375
Energy: 1.4422756019371952
Energy: 1.523884550597006
Energy: 1.442275601937916
Energy: 1.414437344663104
Energy: 1.3912801865319575
Energy: 1.4425580012221275
Energy: 1.3912801865319575
Energy: 1.4130471666735038
Energy: 1.3909753942258603
Energy: 1.4118325454739866
Energy: 1.3909753942267664
Energy: 1.4084266314188394
Energy: 1.3900566427669743
Energy: 1.4434086380270252
Energy: 1.3900566427664387
Energy: 1.521709848531209
Energy: 1.3934441904762849
Energy: 1.5383862202587129
Energy: 1.3934441904866213
Energy: 1.5241904744048271
Energy: 1.5315043017721535
Energy: 1.7438971457242947
Energy: 1.531504301771783
Energy: 1.6786902160947903
Energy: 1.4451533532266718
Energy: 1.7436882495205277
Energy: 1.4451533532261156
Energy: 1.66777273210772
Energy: 1.3257223269092628
Energy: 1.517566415428717
Energy: 1.325722326909448
Energy: 1.4910922218773632
Energy: 1.4067813075780686
Energy: 1.3259929753531774
Energy: 1.4067813075777187
Energy: 1.667423347208703
Energy: 1.3257443888862053
Energy: 1.3213282487965603
Energy: 1.3257443888858347
Energy: 1.6250969233616395
Energy: 1.4246360389220754
Energy: 1.3810636215630012
Energy: 1.4246360389229813
Energy: 1.6532469331129718
Energy: 1.3814703908847548
Energy: 1.3809543348841204
Energy: 1.3814703908845696
Energy: 1.6533149974496872
Energy: 1.381878242527464
Energy: 1.6502014842879285
Energy: 1.3818782425276492
Energy: 1.6776361719602122
Energy: 1.454657977986341
Energy: 1.6507219445519021
Energy: 1.4546579779858058
Energy: 1.6443853617247421
Energy: 1.3818872633222783
Energy: 1.810981538874617
Energy: 1.381887263323555
Energy: 1.3813825935726505
Energy: 1.383126234136427
Energy: 1.8098923944651502
Energy: 1.3831262341373327
Energy: 1.3640563304440616
Energy: 1.4276479972851102
Energy: 1.6452946556679098
Energy: 1.427647997284019
Energy: 1.3232399707397267
Energy: 1.326469040208313
Energy: 1.6814364982984455
Energy: 1.3264690402079424
Energy: 1.3271324361383188
Energy: 1.40686071387193
Energy: 1.6666930713921724
Energy: 1.4068607138717446
Energy: 1.5177672649018341
Energy: 1.3251754879053292
Energy: 1.6965349126125093
Energy: 1.3251754879035174
Energy: 1.8022130561570389
Energy: 1.4463894482023167
Energy: 1.5737138212203032
Energy: 1.4463894482023167

minimum gb energy = 1.3213282487965603 eV
minimum distance =  2.32524782944482 Angstroms
sigma value = 7


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

Energy: 2.5478738091109405
Energy: 1.5012913389584785
Energy: 1.6076010941196586
Energy: 1.61095437977081
Energy: 1.630176299516834
Energy: 1.4325468082969808
Energy: 1.517293484629661
Energy: 1.4325468082982618
Energy: 1.460407851479536
Energy: 1.4087164235489686
Energy: 1.458935535071188
Energy: 1.4087164235489686
Energy: 1.4595721752847515
Energy: 1.4184952615144142
Energy: 1.4537396312874928
Energy: 1.4184952615144142
Energy: 1.456804724484316
Energy: 1.4173568335443758
Energy: 1.4770810735116888
Energy: 1.417356833545657
Energy: 1.5292537128173258
Energy: 1.4064787023838383
Energy: 1.5512474508239997
Energy: 1.4064787023812757
Energy: 1.5316822611834784
Energy: 1.5390364015483435
Energy: 1.7717706918235296
Energy: 1.5390364015483435
Energy: 1.6066478115401535
Energy: 1.4385740558584643
Energy: 1.771372214652871
Energy: 1.4385740558571833
Energy: 1.5723494499982864
Energy: 1.4208262324106569
Energy: 1.5506853342801348
Energy: 1.4208262324106569
Energy: 1.6657869368619056
Energy: 1.4789557528129158
Energy: 1.3900367747986537
Energy: 1.4789557528116346
Energy: 1.5712780533290374
Energy: 1.4066027500804874
Energy: 1.3888829290260425
Energy: 1.4066027500817686
Energy: 1.6179151620306889
Energy: 1.4304875213427866
Energy: 1.417844118655166
Energy: 1.4304875213427866
Energy: 1.7408795400320531
Energy: 1.4200721334752828
Energy: 1.4180265087436241
Energy: 1.420072133476564
Energy: 1.737968160235663
Energy: 1.448659498782601
Energy: 1.6683239197750275
Energy: 1.448659498782601
Energy: 1.6698570267362363
Energy: 1.473084653444206
Energy: 1.8149109975699327
Energy: 1.473084653444206
Energy: 1.6494129023704407
Energy: 1.3766062808151296
Energy: 1.7317028553156957
Energy: 1.3766062808151296
Energy: 1.488842322982386
Energy: 1.372954771213859
Energy: 1.7305974262067456
Energy: 1.3729547712151402
Energy: 1.5089528589471441
Energy: 1.4503786083801664
Energy: 1.5832320085924292
Energy: 1.4503786083814478
Energy: 1.5193806193578967
Energy: 1.437185343527556
Energy: 1.5025947974989933
Energy: 1.4371853435262745
Energy: 1.5177738585218932
Energy: 1.4492645468146035
Energy: 1.50303716545735
Energy: 1.449264546813322
Energy: 1.4696734506835811
Energy: 1.35054808856259
Energy: 1.5377820915654439
Energy: 1.35054808856259
Energy: 1.7703185523347846
Energy: 1.541268342313345
Energy: 1.5400951769835165
Energy: 1.541268342310812
Energy: 1.7709537829911446
Energy: 1.541268462145139
Energy: 1.6961295033489314
Energy: 1.5412684621464203
Energy: 1.4796222983899492
Energy: 1.351326822645721
Energy: 1.6817335733069092
Energy: 1.351326822645721
Energy: 1.4869685797177328
Energy: 1.454103298668574
Energy: 1.6650598612919114
Energy: 1.4541032986711366
Energy: 1.3770022010206615
Energy: 1.3519337837073253
Energy: 1.661974881396549
Energy: 1.3519337837073253
Energy: 1.4064511267672954
Energy: 1.4743169468668544
Energy: 1.6219689639059098
Energy: 1.4743169468655732
Energy: 1.371100479522324
Energy: 1.370667415470877
Energy: 1.6960788980660149
Energy: 1.370667415472158
Energy: 1.3720670500836896
Energy: 1.4523336643487017
Energy: 1.7272813842077834
Energy: 1.452333664349983
Energy: 1.559526808898462
Energy: 1.4389506472015436
Energy: 1.7361778153528744
Energy: 1.4389506472028248
Energy: 1.6324150746523514
Energy: 1.4317953588422274
Energy: 1.7891274344922095
Energy: 1.4317953588435088

minimum gb energy = 1.35054808856259 eV
minimum distance =  2.31074109329731 Angstroms
sigma value = 29


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

Energy: 1.7600307432448048
Energy: 1.3657819741535082
Energy: 1.5238412247016366
Energy: 1.7803993531425721
Energy: 1.5738737847225754
Energy: 1.322059061803072
Energy: 1.5146865530926747
Energy: 1.322059061803072
Energy: 1.486541402468316
Energy: 1.3213862959728204
Energy: 1.4207298717590304
Energy: 1.3213862959728204
Energy: 1.4226305444523222
Energy: 1.3201245113077618
Energy: 1.2192568980428542
Energy: 1.320124511308208
Energy: 1.4201676157308396
Energy: 1.3231980000154937
Energy: 1.4289300458796739
Energy: 1.3231980000141799
Energy: 1.4162479320600465
Energy: 1.3197969652663515
Energy: 1.4242862379648322
Energy: 1.3197969652672197
Energy: 1.5192039931802506
Energy: 1.419219487030695
Energy: 1.4021800208146378
Energy: 1.4192194870315875
Energy: 1.516348092739236
Energy: 1.3232098246837645
Energy: 1.4837426575526902
Energy: 1.3232098246833428
Energy: 1.5747595990660583
Energy: 1.32282623817377
Energy: 1.5383473898754465
Energy: 1.3228262381729021

minimum gb energy = 1.2192568980428542 eV
minimum distance =  2.37783675062072 Angstroms
sigma value = 5


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

Energy: 1.7684225223207835
Energy: 1.6827804740180496
Energy: 1.7189248962299126
Energy: 1.86075815048062
Energy: 1.3181929903337148
Energy: 1.3070122337440948
Energy: 1.655441707404844
Energy: 1.3070122337428847
Energy: 1.3030580321091652
Energy: 1.3059089408620255
Energy: 1.6492467026215083
Energy: 1.3059089408596047
Energy: 1.3007366420541977
Energy: 1.3079259219124386
Energy: 1.5749879296748155
Energy: 1.3079259219124386
Energy: 1.303015867625822
Energy: 1.3089093563645262
Energy: 1.5428174429657715
Energy: 1.3089093563645262
Energy: 1.3355134586976147
Energy: 1.342545049972561
Energy: 1.514396879082435
Energy: 1.3425450499701406
Energy: 1.3365510713274134
Energy: 1.3443012271266221
Energy: 1.5133685889214437
Energy: 1.3443012271266221
Energy: 1.3399025519778696
Energy: 1.3401029934856263
Energy: 1.5102415743995465
Energy: 1.340102993488047
Energy: 1.4049652349151995
Energy: 1.3423769895194562
Energy: 1.5242882535669213
Energy: 1.3423769895170357
Energy: 1.642733390593019
Energy: 1.4867192560655937
Energy: 1.6185927049417994
Energy: 1.4867192560631732
Energy: 1.3391592047344918
Energy: 1.364705820386695
Energy: 1.5391692477846113
Energy: 1.3647058203903257
Energy: 1.539982115766376
Energy: 1.3403544579201003
Energy: 1.7135647328876678
Energy: 1.3403544579225206
Energy: 1.5309980122128417
Energy: 1.465664683191554
Energy: 1.7137508504227619
Energy: 1.4656646831903437
Energy: 1.478121983284187
Energy: 1.3615254483465853
Energy: 1.3394955236309403
Energy: 1.3615254483490058
Energy: 1.5130148310055533
Energy: 1.3420884743780312
Energy: 1.3392189548999092
Energy: 1.3420884743768209
Energy: 1.512708112819921
Energy: 1.3406882514351275
Energy: 1.3396526763055965
Energy: 1.3406882514351275
Energy: 1.4153480833117682
Energy: 1.343422589661757
Energy: 1.3418362854623662
Energy: 1.3434225896593364
Energy: 1.648353240865582
Energy: 1.306174857223446
Energy: 1.2983257858092272
Energy: 1.3061748572222356
Energy: 1.6503480027064696
Energy: 1.310235920755917
Energy: 1.3025805109051585
Energy: 1.3102359207571275
Energy: 1.6654067869210578
Energy: 1.307176753598082
Energy: 1.3030555853867345
Energy: 1.3071767535992924
Energy: 1.6554788219818286
Energy: 1.4219027598584422
Energy: 1.5508917816279162
Energy: 1.4219027598620728
Energy: 1.6776147234534189
Energy: 1.450003737279126
Energy: 1.551311413283741
Energy: 1.4500037372779158
Energy: 1.5552182182222396
Energy: 1.3095895649159461
Energy: 1.4062881129460478
Energy: 1.3095895649171565
Energy: 1.7184327825181887
Energy: 1.3539550417689312
Energy: 1.4063750088688307
Energy: 1.3539550417665107
Energy: 1.7178160025267017
Energy: 1.3057196770679946
Energy: 1.3531072387809473
Energy: 1.3057196770679946
Energy: 1.4024885304797823
Energy: 1.3626727591689136
Energy: 1.4025442862768291
Energy: 1.3626727591677035
Energy: 1.399908171581797
Energy: 1.3614338831065818
Energy: 1.4032725713988727
Energy: 1.3614338831077921
Energy: 1.403025519606183
Energy: 1.3592015399121369
Energy: 1.399628680592446
Energy: 1.3592015399157675
Energy: 1.385876787308162
Energy: 1.4299056329199364
Energy: 1.4038218325451108
Energy: 1.4299056329223572
Energy: 1.3524076175085558
Energy: 1.3526459949277392
Energy: 1.6456527570413633
Energy: 1.3526459949265288
Energy: 1.406692344305672
Energy: 1.3526889064016825
Energy: 1.6458135545115127
Energy: 1.352688906404103
Energy: 1.4062500224929366
Energy: 1.3114664930886832
Energy: 1.6867989170570075
Energy: 1.3114664930898936
Energy: 1.3598506758723745
Energy: 1.6064909459887446
Energy: 1.7218663507613914
Energy: 1.6064909459899548

minimum gb energy = 1.2983257858092272 eV
minimum distance =  2.25802376199585 Angstroms
sigma value = 1


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

Energy: 2.281422919401219
Energy: 1.41076512282002
Energy: 1.6186362203721194
Energy: 1.572168845018619
Energy: 1.3323924525939503
Energy: 1.3493596697336827
Energy: 1.4743041067156681
Energy: 1.3493596697336827
Energy: 1.3498990832215947
Energy: 1.3406244071393396
Energy: 1.5699969779625969
Energy: 1.340624407141013
Energy: 1.3459070872400338
Energy: 1.341664868799134
Energy: 1.4307226131613615
Energy: 1.341664868799134
Energy: 1.347897526325383
Energy: 1.3436940450708894
Energy: 1.5324254459243094
Energy: 1.3436940450692159
Energy: 1.3554495376321114
Energy: 1.3406834233427074
Energy: 1.445540045926346
Energy: 1.3406834233427074
Energy: 1.3542248397952636
Energy: 1.3395352675131114
Energy: 1.601094879067292
Energy: 1.339535267514785
Energy: 1.3587517795308364
Energy: 1.337804096589987
Energy: 1.5996296630349427
Energy: 1.3378040965883136
Energy: 1.261821185561868
Energy: 1.2813623836323276
Energy: 1.6063463278606913
Energy: 1.2813623836323276
Energy: 1.6097371589393497
Energy: 1.791702916675886
Energy: 1.7693339566301396
Energy: 1.791702916675886
Energy: 1.262536572633947
Energy: 1.2793084077059538
Energy: 1.5242427707562654
Energy: 1.2793084077059538
Energy: 1.261775085999736
Energy: 1.226132383428788
Energy: 1.694631767623234
Energy: 1.2261323834271147
Energy: 1.2581165908074914
Energy: 1.2283574720677513
Energy: 1.695252030051566
Energy: 1.2283574720677513
Energy: 1.2606820330401503
Energy: 1.226756561870075
Energy: 1.328884621441431
Energy: 1.226756561870075
Energy: 1.4313557931391636
Energy: 1.4445540380343525
Energy: 1.4683338100039705
Energy: 1.4445540380343525
Energy: 1.4307879724522152
Energy: 1.286214900784517
Energy: 1.474609183815301
Energy: 1.2862149007861903
Energy: 1.463323501817769
Energy: 1.2876494177452835
Energy: 1.421463482497479
Energy: 1.28764941774361
Energy: 1.585972280924509
Energy: 1.3464245326885058
Energy: 1.368045587885854
Energy: 1.3464245326885058
Energy: 1.586693152658054
Energy: 1.3494509349937098
Energy: 1.3694804179317084
Energy: 1.3494509349953832
Energy: 1.5293441974391093
Energy: 1.3507675826663412
Energy: 1.3700193839102957
Energy: 1.3507675826663412
Energy: 1.529690195504344
Energy: 1.3426022777222568
Energy: 1.609615548321493
Energy: 1.3426022777222568
Energy: 1.5617331340199063
Energy: 1.3423818115416057
Energy: 1.6096224562648362
Energy: 1.3423818115416057
Energy: 1.5620511218044446
Energy: 1.3885833112896415
Energy: 1.4969143179558901
Energy: 1.3885833112913148
Energy: 1.5353334300165697
Energy: 1.4680381748246771
Energy: 1.4603520057641568
Energy: 1.4680381748246771

minimum gb energy = 1.2261323834271147 eV
minimum distance =  2.27596338655451 Angstroms
sigma value = 17


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

Energy: 2.000295454137471
Energy: 1.6423602057563977
Energy: 1.7854473255388892
Energy: 1.7409873628184127
Energy: 1.2764866296891604
Energy: 1.305522113693804
Energy: 1.4374523974465434
Energy: 1.3055221136989752
Energy: 1.2684862155304655
Energy: 1.2688150486147916
Energy: 1.6130386628012912
Energy: 1.2688150486147916
Energy: 1.2701142016005387
Energy: 1.2709291923117232
Energy: 1.608490233928111
Energy: 1.2709291923117232
Energy: 1.2721414441002576
Energy: 1.2729558763388913
Energy: 1.322331088624886
Energy: 1.27295587634096
Energy: 1.3640415512082347
Energy: 1.3038859391616653
Energy: 1.3633305619043408
Energy: 1.3038859391585624
Energy: 1.3620214481522748
Energy: 1.3037850868738783
Energy: 1.361882482894117
Energy: 1.3037850868718097
Energy: 1.3632032777212775
Energy: 1.3034166856901788
Energy: 1.3607982277286932
Energy: 1.3034166856912133
Energy: 1.4757504013182081
Energy: 1.2699645659986487
Energy: 1.2689632692127917
Energy: 1.2699645659976144
Energy: 1.5512254761326176
Energy: 1.2719995513450104
Energy: 1.2744431923205175
Energy: 1.2719995513460445
Energy: 1.4999617665791216
Energy: 1.2709861447138904
Energy: 1.2688572381247731
Energy: 1.2709861447128563
Energy: 1.6145301849769573
Energy: 1.303019584465956
Energy: 1.4973258785103287
Energy: 1.3030195844680246
Energy: 1.7785613451586548
Energy: 1.407948457782775
Energy: 1.4969148007601183
Energy: 1.4079484577807067
Energy: 1.500736231208763
Energy: 1.2738966404582253
Energy: 1.2690262833846406
Energy: 1.2738966404623624
Energy: 1.6058150475395374
Energy: 1.2695672868789
Energy: 1.3713240182041164
Energy: 1.2695672868809686
Energy: 1.681685542562655
Energy: 1.2688900234562746
Energy: 1.3540357247723034
Energy: 1.2688900234562746
Energy: 1.320654992052997
Energy: 1.3049459377194437
Energy: 1.449526612733595
Energy: 1.3049459377215122
Energy: 1.3204331582820497
Energy: 1.304320732240593
Energy: 1.443444428463957
Energy: 1.3043207322385246
Energy: 1.3228126612180529
Energy: 1.3009728025127907
Energy: 1.442899941906132
Energy: 1.3009728025158935
Energy: 1.334868487790745
Energy: 1.3636074535452611
Energy: 1.4596177643167625
Energy: 1.3636074535462956
Energy: 1.2933102220726098
Energy: 1.2886499076579314
Energy: 1.5529162549870033
Energy: 1.2886499076568971
Energy: 1.2920921491127955
Energy: 1.289949536809834
Energy: 1.5532021234267455
Energy: 1.289949536806731
Energy: 1.2927668145472617
Energy: 1.2937195716083036
Energy: 1.296084595018013
Energy: 1.2937195716103724
Energy: 1.668319779074745
Energy: 1.3696934597869805
Energy: 1.5344338525574277
Energy: 1.3696934597880148
Energy: 1.4989026221953459
Energy: 1.2885760198601166
Energy: 1.5609986670676619
Energy: 1.288576019861151
Energy: 1.5139262870784977
Energy: 1.2904145295801694
Energy: 1.2944555625069918
Energy: 1.2904145295770666
Energy: 1.5748929024532836
Energy: 1.5523087933289232
Energy: 1.6750409201451528
Energy: 1.5523087933258206
Energy: 1.4894055134717092
Energy: 1.289291169583549
Energy: 1.3056119429302153
Energy: 1.289291169580446
Energy: 1.5578651027680668
Energy: 1.2895983214974232
Energy: 1.2923865916160706
Energy: 1.2895983214963889
Energy: 1.4951358200547094
Energy: 1.291724200920891
Energy: 1.2914919482392295
Energy: 1.2917242009239938
Energy: 1.4139846495432347
Energy: 1.2920018233100234
Energy: 1.292752533451486
Energy: 1.2920018233079549
Energy: 1.4422471125038518
Energy: 1.305452516823246
Energy: 1.31957734087184
Energy: 1.305452516819109
Energy: 1.4433997194160941
Energy: 1.302920422643291
Energy: 1.321157832676975
Energy: 1.302920422642257
Energy: 1.444058794615232
Energy: 1.3016627646344796
Energy: 1.3206168336850292
Energy: 1.3016627646324108
Energy: 1.3565431071538225
Energy: 1.2707407728853222
Energy: 1.3204223931091557
Energy: 1.2707407728853222
Energy: 1.3666894825845004
Energy: 1.3685733493351484
Energy: 1.6447511144937517
Energy: 1.36857334933308
Energy: 1.3716640577522965
Energy: 1.2706637644934542
Energy: 1.499178557546666
Energy: 1.2706637644934542
Energy: 1.303286447454241
Energy: 1.3035793559842648
Energy: 1.5810873743038198
Energy: 1.3035793559821962

minimum gb energy = 1.2684862155304655 eV
minimum distance =  2.28569449128164 Angstroms
sigma value = 89


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

Energy: 2.2256895716942857
Energy: 1.2167050795358088
Energy: 1.5419604936783673
Energy: 1.4837414862970022
Energy: 1.2396237600974986
Energy: 1.2313444073779662
Energy: 1.231676685776327
Energy: 1.2313444073782431
Energy: 1.2339349836034206
Energy: 1.2280141348625349
Energy: 1.3805367711730518
Energy: 1.2280141348617046
Energy: 1.2289554103818778
Energy: 1.2290681508507406
Energy: 1.3804592142696175
Energy: 1.229068150851571
Energy: 1.2334181773305561
Energy: 1.241545795177293
Energy: 1.3411023646800855
Energy: 1.2415457951756632
Energy: 1.3179743991268915
Energy: 1.2295581837841114
Energy: 1.317626912643213
Energy: 1.2295581837827583
Energy: 1.3189672158336052
Energy: 1.2272402138564928
Energy: 1.319154367780836
Energy: 1.2272402138570462
Energy: 1.3732611282779397
Energy: 1.2296950342437194
Energy: 1.3153336159859828
Energy: 1.2296950342437194
Energy: 1.340623657277379
Energy: 1.2296097432715811
Energy: 1.2290479828748337
Energy: 1.229609743271858
Energy: 1.340627495284138
Energy: 1.2304970700373132
Energy: 1.2325977020383483
Energy: 1.2304970700384203
Energy: 1.2309066861514169
Energy: 1.2328988027103267
Energy: 1.234968445920905
Energy: 1.2328988027108803
Energy: 1.2307035605358714
Energy: 1.2271194704621549
Energy: 1.3337424456687021
Energy: 1.2271194704618782
Energy: 1.507375014146241
Energy: 1.2292543293132152
Energy: 1.3332714279794702
Energy: 1.2292543293129385
Energy: 1.2332940879692205
Energy: 1.325347341709182
Energy: 1.2343064237002597
Energy: 1.3253473417099815
Energy: 1.2395248970841102
Energy: 1.228296166935184
Energy: 1.2335517367456983
Energy: 1.2282961669360142

minimum gb energy = 1.2167050795358088 eV
minimum distance =  2.30183631720883 Angstroms
sigma value = 13


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

Energy: 1.4444225312606347
Energy: 1.2539820888674496
Energy: 1.4126429263550653
Energy: 1.4269314066330745
Energy: 1.1944704255360017
Energy: 1.185585279052374
Energy: 1.1923399327984066
Energy: 1.1855852790512398
Energy: 1.1918781539544674
Energy: 1.1831461284997002
Energy: 1.4081728542736363
Energy: 1.1831461285008347
Energy: 1.188155521868401
Energy: 1.1825506430066615
Energy: 1.4014005302654042
Energy: 1.1825506430077959
Energy: 1.19541515038847
Energy: 1.185284556715276
Energy: 1.230711487012554
Energy: 1.185284556715276
Energy: 1.3395134323506215
Energy: 1.1638404910103328
Energy: 1.231619214137035
Energy: 1.1638404910103328
Energy: 1.3347601951181711
Energy: 1.1634803090745462
Energy: 1.2313986222541358
Energy: 1.1634803090734118
Energy: 1.3252576008693577
Energy: 1.1652278728928767
Energy: 1.2318738142280556
Energy: 1.1652278728928767
Energy: 1.3337697217466662
Energy: 1.1649724164441138
Energy: 1.230932343665986
Energy: 1.1649724164452482
Energy: 1.3348697441910098
Energy: 1.1648807661547753
Energy: 1.2277984636028363
Energy: 1.1648807661536411
Energy: 1.3056321482766422
Energy: 1.1686113765788666
Energy: 1.2316480823893665
Energy: 1.168611376580001
Energy: 1.188823538154514
Energy: 1.182101870530887
Energy: 1.3132754468196153
Energy: 1.1821018705320212
Energy: 1.191981948493511
Energy: 1.1815658654708534
Energy: 1.3143082376174107
Energy: 1.1815658654708534
Energy: 1.1920288231602854
Energy: 1.1889177804941609
Energy: 1.3157486602830466
Energy: 1.1889177804941609
Energy: 1.3115791668454395
Energy: 1.1823651160931685
Energy: 1.1909910762548046
Energy: 1.1823651160931685
Energy: 1.3112562650835617
Energy: 1.1820117515216013
Energy: 1.1919217545431608
Energy: 1.182011751520467
Energy: 1.1915256751474628
Energy: 1.1879458261553741
Energy: 1.1925221113202424
Energy: 1.1879458261553741
Energy: 1.1938707516633396
Energy: 1.1828846129860986
Energy: 1.3994461236871865
Energy: 1.1828846129860986
Energy: 1.1969049982805346
Energy: 1.183397290148642
Energy: 1.1950426004024635
Energy: 1.183397290148642
Energy: 1.3141794704660616
Energy: 1.1851140208248956
Energy: 1.1920176500691757
Energy: 1.1851140208248956
Energy: 1.4017032414103718
Energy: 1.1855941519361217
Energy: 1.1897253666621426
Energy: 1.1855941519349875
Energy: 1.2307206157768862
Energy: 1.2974721868568064
Energy: 1.1917717633435132
Energy: 1.2974721868556722
Energy: 1.2361286283436503
Energy: 1.164950124580111
Energy: 1.334526268947237
Energy: 1.1649501245812455
Energy: 1.2338937490577462
Energy: 1.164016014058126
Energy: 1.2579507505501504
Energy: 1.1640160140569917
Energy: 1.2293932569080874
Energy: 1.1661992550479754
Energy: 1.3252569307826534
Energy: 1.1661992550479754
Energy: 1.2282046910402509
Energy: 1.1678321741139772
Energy: 1.3280834496502174
Energy: 1.1678321741151116
Energy: 1.2299863065664312
Energy: 1.1658698949084383
Energy: 1.3354174962220078
Energy: 1.1658698949084383
Energy: 1.233669476301076
Energy: 1.167106346795297
Energy: 1.3322107703086905
Energy: 1.167106346796431
Energy: 1.231015961122135
Energy: 1.183602600080437
Energy: 1.1893941578204783
Energy: 1.183602600080437
Energy: 1.3304977566495393
Energy: 1.1828704659999838
Energy: 1.192726079478876
Energy: 1.1828704659999838
Energy: 1.3158775786238945
Energy: 1.1880870536826864
Energy: 1.1918775112179207
Energy: 1.1880870536838208
Energy: 1.1936133563326679
Energy: 1.1823244523861014
Energy: 1.3110506328475289
Energy: 1.1823244523861014
Energy: 1.1931612249177381
Energy: 1.1826634058415817
Energy: 1.3111157680145333
Energy: 1.182663405842716
Energy: 1.193801200081555
Energy: 1.1884565946592038
Energy: 1.1916984878462733
Energy: 1.1884565946592038
Energy: 1.1969667141275238
Energy: 1.1816957312698513
Energy: 1.1924000853612193
Energy: 1.1816957312709855

minimum gb energy = 1.1634803090734118 eV
minimum distance =  2.30673441127243 Angstroms
sigma value = 37


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

Energy: 1.4560224079470838
Energy: 1.1905043890516342
Energy: 1.3416436164200214
Energy: 1.344058869845029
Energy: 1.134621836004137
Energy: 1.1375904037019744
Energy: 1.1400264571848517
Energy: 1.1375904037021516
Energy: 1.14041397715172
Energy: 1.1352746162512433
Energy: 1.1346032503867598
Energy: 1.1352746162510436
Energy: 1.1373063108295685
Energy: 1.1332604365453172
Energy: 1.1328895153695366
Energy: 1.1332604365447405
Energy: 1.1404822312151799
Energy: 1.1450096484080028
Energy: 1.1596176036996744
Energy: 1.1450096484086016
Energy: 1.209037405591011
Energy: 1.0985471365442045
Energy: 1.1588826289976328
Energy: 1.0985471365446036
Energy: 1.2459934827047972
Energy: 1.0978600299813017
Energy: 1.1584827392089134
Energy: 1.0978600299805255
Energy: 1.2444476257602293
Energy: 1.082960002274825
Energy: 1.1589158843336067
Energy: 1.082960002274825
Energy: 1.213477734083394
Energy: 1.0794438458332625
Energy: 1.2146115720209032
Energy: 1.0794438458326858
Energy: 1.2143025686109843
Energy: 1.078686753646196
Energy: 1.2142270176907504
Energy: 1.0786867536459963
Energy: 1.211592666783701
Energy: 1.1596931817418368
Energy: 1.2429523295264733
Energy: 1.1596931817418368
Energy: 1.1587864095693723
Energy: 1.0981845928397311
Energy: 1.2098766504275673
Energy: 1.0981845928395537
Energy: 1.1583363926150707
Energy: 1.0981793050105457
Energy: 1.2096008285541402
Energy: 1.0981793050118984
Energy: 1.1591262390763721
Energy: 1.1027870355584726
Energy: 1.1406613762950075
Energy: 1.102787035557497
Energy: 1.2023524214012682
Energy: 1.1322621986995651
Energy: 1.1389585626094918
Energy: 1.1322621986979906
Energy: 1.217007431692885
Energy: 1.133135599864533
Energy: 1.1404826019302834
Energy: 1.1331355998660853
Energy: 1.1396302750225134
Energy: 1.1456093429926906
Energy: 1.1409829755568772
Energy: 1.1456093429930898
Energy: 1.3661723784798272
Energy: 1.138499792063204
Energy: 1.1317676628724527
Energy: 1.1384997920620288
Energy: 1.1404695263571945
Energy: 1.1352757437868013
Energy: 1.1324040423341197
Energy: 1.1352757437864245
Energy: 1.1401027313835024
Energy: 1.1384671732377454
Energy: 1.1401521741763463
Energy: 1.1384671732373683

minimum gb energy = 1.0786867536459963 eV
minimum distance =  2.31387086136294 Angstroms
sigma value = 25


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

Energy: 1.2293543828961078
Energy: 1.0876946962882126
Energy: 1.2102546581194968
Energy: 1.227732583663749
Energy: 1.0435886597420043
Energy: 1.058891998970228
Energy: 1.0505496836400512
Energy: 1.0588919989747996
Energy: 1.0507728254791218
Energy: 1.0455912444236113
Energy: 1.0606443091467375
Energy: 1.0455912444220874
Energy: 1.0498904242549876
Energy: 1.0438864501817402
Energy: 1.0390073704212974
Energy: 1.0438864501817402
Energy: 1.0600332979055322
Energy: 1.0272569875031197
Energy: 1.059503877655746
Energy: 1.0272569875031197
Energy: 1.0434026728512427
Energy: 1.009150138736026
Energy: 1.0589964947972672
Energy: 1.009150138736026
Energy: 1.0435042412804492
Energy: 1.0092538902783137
Energy: 1.0615279796330224
Energy: 1.0092538902783137
Energy: 1.1198365877472558
Energy: 1.001749152801968
Energy: 1.071833438173487
Energy: 1.001749152801968
Energy: 1.0879007401194445
Energy: 0.9791064735470203
Energy: 1.0706622768825955
Energy: 0.9791064735470203
Energy: 1.089070411017601
Energy: 0.9777980193324902
Energy: 1.157880373467348
Energy: 0.9777980193324902
Energy: 1.0867262722246382
Energy: 1.0491519744786852
Energy: 1.1567902354959172
Energy: 1.0491519744817333
Energy: 1.131052195383007
Energy: 0.9671713300899416
Energy: 1.1310966393750317
Energy: 0.9671713300899416
Energy: 1.1363283252404783
Energy: 0.968895824478885
Energy: 1.1313430431915996
Energy: 0.9688958244758373
Energy: 1.158987897943432
Energy: 0.9800479687617256
Energy: 1.0984739371370165
Energy: 0.9800479687617256
Energy: 1.0712410825159797
Energy: 0.9788409250449096
Energy: 1.0892524726154622
Energy: 0.9788409250449096
Energy: 1.070428526393958
Energy: 0.9776504630623476
Energy: 1.0897991292752152
Energy: 0.9776504630608237
Energy: 1.064348373381209
Energy: 1.0277262126440108
Energy: 1.1174895298624428
Energy: 1.0277262126409632
Energy: 1.0605259976270776
Energy: 1.0089309619723845
Energy: 1.0666222177259719
Energy: 1.0089309619723845
Energy: 1.0591333668663263
Energy: 1.009396446176084
Energy: 1.050300543614391
Energy: 1.009396446176084
Energy: 1.0593983481936038
Energy: 1.0585960924893527
Energy: 1.05059000694797
Energy: 1.0585960924878288
Energy: 1.0461784674776702
Energy: 1.0608778197589688
Energy: 1.0505770741734408
Energy: 1.0608778197589688
Energy: 1.0604597169783034
Energy: 1.0482696294585623
Energy: 1.0510228218822897
Energy: 1.0482696294585623
Energy: 1.0509077638141013
Energy: 1.045570994540678
Energy: 1.0559231444384323
Energy: 1.045570994539154
Energy: 1.0543215090022016
Energy: 1.0444768501499544
Energy: 1.0414686502405697
Energy: 1.0444768501499544
Energy: 1.0505406160656896
Energy: 1.0591441769190808
Energy: 1.0509652656067738
Energy: 1.059144176916033
Energy: 1.0433235186063903
Energy: 1.0445960827985787
Energy: 1.0510688008338809
Energy: 1.0445960828001024

minimum gb energy = 0.9671713300899416 eV
minimum distance =  2.31179520230894 Angstroms
sigma value = 41


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

Energy: 1.133484973366358
Energy: 1.0033191597116153
Energy: 1.103283839072094
Energy: 1.1172740486157104
Energy: 0.9675442740522893
Energy: 0.9414136507478608
Energy: 0.9731767051989714
Energy: 0.9414136507478608
Energy: 0.9732449870562256
Energy: 0.9694347148896555
Energy: 0.9832485245330979
Energy: 0.9694347148909047
Energy: 0.9746095855617302
Energy: 0.9679847727003038
Energy: 0.9640524700286504
Energy: 0.9679847726990545
Energy: 0.9786730754058613
Energy: 0.9500840740142019
Energy: 0.9773737751485226
Energy: 0.9500840740167005
Energy: 0.9672816632534872
Energy: 0.9349333350651203
Energy: 0.9773034611891711
Energy: 0.934933335063871
Energy: 0.9671069284037055
Energy: 0.9366058570851264
Energy: 0.9791290427262797
Energy: 0.9366058570851264
Energy: 1.021381928518436
Energy: 1.0053429735434893
Energy: 0.9927034648238262
Energy: 1.0053429735459878
Energy: 0.9989205103138487
Energy: 0.9052705868607045
Energy: 1.0088133218320567
Energy: 0.905270586859455
Energy: 0.9989525588276148
Energy: 0.9050476599753093
Energy: 1.008576637664769
Energy: 0.9050476599703121
Energy: 1.0150139459676453
Energy: 0.8879651494858739
Energy: 1.0579830507772419
Energy: 0.8879651494858739
Energy: 1.0098509539831988
Energy: 0.8880848765743
Energy: 1.0282513403536881
Energy: 0.8880848765743
Energy: 1.0305822246659955
Energy: 0.8876971024964033
Energy: 1.0290738935389627
Energy: 0.8876971024976525
Energy: 1.0527417644707031
Energy: 0.8827929201832984
Energy: 1.0091378882853552
Energy: 0.8827929201820489
Energy: 1.0268460405930413
Energy: 0.8820188676401941
Energy: 1.0282248506477552
Energy: 0.8820188676426928
Energy: 1.062863427329272
Energy: 0.8827277974561569
Energy: 1.0515214476812313
Energy: 0.8827277974561569
Energy: 1.0241162138399156
Energy: 0.8878999759765539
Energy: 1.0528250275118327
Energy: 0.8878999759753047
Energy: 1.0260782035057447
Energy: 0.8873290225698846
Energy: 1.0112213135323873
Energy: 0.8873290225711339
Energy: 1.0351106566351544
Energy: 0.8868629982062733
Energy: 1.0100759635843255
Energy: 0.8868629982050242
Energy: 1.053576955713543
Energy: 0.9051054971660718
Energy: 1.0113601986173164
Energy: 0.9051054971648226
Energy: 0.9919555123103875
Energy: 0.9048872587811589
Energy: 0.9989793760975808
Energy: 0.9048872587799094
Energy: 0.9915668432121165
Energy: 0.9066197886666709
Energy: 1.022484266179544
Energy: 0.9066197886691696
Energy: 0.9794763784047528
Energy: 0.9363306040754047
Energy: 1.023006610232968
Energy: 0.9363306040741552
Energy: 0.9780089566415813
Energy: 0.9370714149797965
Energy: 0.9885358573460198
Energy: 0.937071414977298
Energy: 0.9776902807318464
Energy: 0.9363731290167069
Energy: 0.9780855214566476
Energy: 0.9363731290179561
Energy: 1.0153853301976323
Energy: 0.9670791873413118
Energy: 0.9752895326489954
Energy: 0.9670791873413118
Energy: 0.9699247994357509
Energy: 0.9674702639196286
Energy: 0.9793163107887335
Energy: 0.96747026391713
Energy: 0.9773681187211638
Energy: 0.993224776591697
Energy: 0.973663790057156
Energy: 0.9932247765929463
Energy: 0.976797944421084
Energy: 0.9672809722391318
Energy: 0.9667122502053836
Energy: 0.9672809722416306
Energy: 0.9730704288613372
Energy: 0.9670693913256324
Energy: 0.9754469237648363
Energy: 0.9670693913268819
Energy: 0.9732862441016439
Energy: 0.9729106636293113
Energy: 0.9734357530080116
Energy: 0.9729106636280621
Energy: 0.9716743085277435
Energy: 0.9678756166343994
Energy: 0.9766180678812101
Energy: 0.9678756166381474

minimum gb energy = 0.8820188676401941 eV
minimum distance =  2.31730511596334 Angstroms
sigma value = 15


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

Energy: 1.060426610174665
Energy: 0.9330791613139562
Energy: 1.0178658905321234
Energy: 1.0293422251467321
Energy: 0.9029537793527687
Energy: 0.8757743249952258
Energy: 0.913184489030373
Energy: 0.8757743249973425
Energy: 0.9075283835857852
Energy: 0.9047323533575151
Energy: 0.9163195872156183
Energy: 0.90473235335434
Energy: 0.9082562678287017
Energy: 0.9026551980694599
Energy: 0.9044309704723137
Energy: 0.9026551980662848
Energy: 0.9113036337591028
Energy: 0.8861673090041166
Energy: 0.9100075619034786
Energy: 0.8861673090051749
Energy: 0.9389589149979778
Energy: 0.8741446764105556
Energy: 0.9177694420399412
Energy: 0.8741446764126724
Energy: 0.9362658333625065
Energy: 0.874185472816931
Energy: 0.9103381922204261
Energy: 0.8741854728200581
Energy: 0.9473747601341367
Energy: 0.9557080492482338
Energy: 0.9104074767670647
Energy: 0.9557080492492922
Energy: 0.9269596567112675
Energy: 0.8459394562635928
Energy: 0.9149019183428536
Energy: 0.8459394562625344
Energy: 0.9256270188703284
Energy: 0.8458010482913809
Energy: 0.9562354156477302
Energy: 0.8458010482924392
Energy: 0.9276536590189567
Energy: 0.8278904974662658
Energy: 0.9817561756164702
Energy: 0.8278904974620324
Energy: 0.9369217155091278
Energy: 0.8277816699485413
Energy: 0.9464788979724637
Energy: 0.827781669950658
Energy: 0.971887041036015
Energy: 0.8286898677689452
Energy: 0.9478186489749624
Energy: 0.8286898677668286
Energy: 0.9728134744028025
Energy: 0.8171920398859674
Energy: 0.9494717847391917
Energy: 0.8171920398838508
Energy: 0.9778598067493589
Energy: 0.8180230002108853
Energy: 0.9403998495717065
Energy: 0.8180230002119436
Energy: 0.9731791319645812
Energy: 0.8193585675791507
Energy: 0.9700367538818916
Energy: 0.8193585675802091
Energy: 0.9455815836405909
Energy: 0.8155739602900385
Energy: 0.973067431806933
Energy: 0.8155739602879217
Energy: 0.9431264768621196
Energy: 0.8133078771426479
Energy: 0.9656190005553777
Energy: 0.8133078771458229
Energy: 0.9735358085431
Energy: 0.8148635479405265
Energy: 0.9685751005937955
Energy: 0.8148635479394684
Energy: 0.9702100028808057
Energy: 0.819558204806853
Energy: 0.9647752928670935
Energy: 0.819558204803678
Energy: 0.9397711562279614
Energy: 0.8184785195962232
Energy: 0.9792082536648283
Energy: 0.8184785195941064
Energy: 0.9392902028211351
Energy: 0.8166997827615662
Energy: 0.9723748153722296
Energy: 0.8166997827605079
Energy: 0.9489389154525344
Energy: 0.8294674253011382
Energy: 0.9718881437216553
Energy: 0.8294674253000798
Energy: 0.9470781758386813
Energy: 0.8281578934855598
Energy: 0.9397584092877412
Energy: 0.8281578934876765
Energy: 0.9808373261359462
Energy: 0.8282746299063751
Energy: 0.9283329723398668
Energy: 0.8282746299074334
Energy: 0.9739675977703489
Energy: 0.8462986397485299
Energy: 0.9244599361080587
Energy: 0.8462986397527633
Energy: 0.9374170104413481
Energy: 0.8464185824278118
Energy: 0.9261724014798037
Energy: 0.8464185824267536
Energy: 0.9242245778976711
Energy: 0.8470439425223693
Energy: 0.9471213079002011
Energy: 0.8470439425213109
Energy: 0.9105096111395452
Energy: 0.8742398257250976
Energy: 0.9233107845078681
Energy: 0.8742398257250976
Energy: 0.9164893605651877
Energy: 0.8739008069598028
Energy: 0.9283702353485777
Energy: 0.8739008069555695
Energy: 0.910424683704546
Energy: 0.9202510683107091
Energy: 0.9102911922522925
Energy: 0.9202510683096508
Energy: 0.9195122601911039
Energy: 0.903284306873289
Energy: 0.9084975062480782
Energy: 0.9032843068743474
Energy: 0.9087309340398216
Energy: 0.9045011072054006
Energy: 0.9081242186088656
Energy: 0.9045011072022255
Energy: 0.9099801717825557
Energy: 0.8753407604332494
Energy: 0.9085587402820056
Energy: 0.8753407604353661
Energy: 1.040748645090191
Energy: 1.0167301040333028
Energy: 0.9081699434136052
Energy: 1.0167301040322443
Energy: 0.9075906502897808
Energy: 0.9045573955601295
Energy: 0.9092549613947182
Energy: 0.9045573955611879
Energy: 0.9140832301519852
Energy: 0.9047413645051081
Energy: 0.9081079444778494
Energy: 0.904741364501933

minimum gb energy = 0.8133078771426479 eV
minimum distance =  2.31093926206804 Angstroms
sigma value = 85


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

Energy: 1.0136941872891918
Energy: 0.8057896592549936
Energy: 0.9019716803121335
Energy: 0.9122646681893622
Energy: 0.7916635682528526
Energy: 0.7761630465846037
Energy: 0.8124525902477082
Energy: 0.7761630465846037
Energy: 0.8011268066463596
Energy: 0.7972019426297297
Energy: 0.8250200811742411
Energy: 0.7972019426297297
Energy: 0.801340177627801
Energy: 0.7945080930941778
Energy: 0.7970400911330517
Energy: 0.7945080930969315
Energy: 0.8120394527393937
Energy: 0.7875892076623504
Energy: 0.8120527667643354
Energy: 0.7875892076623504
Energy: 0.8572248244952759
Energy: 0.7749571075501337
Energy: 0.8112620735860225
Energy: 0.7749571075519696
Energy: 0.8003336422652282
Energy: 0.7745619762470018
Energy: 0.8115555355488255
Energy: 0.7745619762488377
Energy: 0.8498823756701471
Energy: 0.8229128462789964
Energy: 0.8485192440388174
Energy: 0.8229128462789964
Energy: 0.836223113292492
Energy: 0.7570339454073579
Energy: 0.8117819555663546
Energy: 0.7570339454082757
Energy: 0.8411877282928867
Energy: 0.7571164874929999
Energy: 0.8487745407909862
Energy: 0.7571164874920819
Energy: 0.8406065880535035
Energy: 0.7498468585830232
Energy: 0.8798043799890544
Energy: 0.7498468585839412
Energy: 0.8522238843286764
Energy: 0.7481947369547428
Energy: 0.8584782166278926
Energy: 0.7481947369565787
Energy: 0.8858944159634127
Energy: 0.7482428479363487
Energy: 0.8636695438586851
Energy: 0.7482428479345129
Energy: 0.8869881524070333
Energy: 0.7445687043080719
Energy: 0.8627855278534857
Energy: 0.7445687043071539
Energy: 0.8876358915227855
Energy: 0.7426658934606767
Energy: 0.8642852678861923
Energy: 0.7426658934606767
Energy: 0.8720631651622327
Energy: 0.7438242855881076
Energy: 0.8906038547382787
Energy: 0.7438242855881076
Energy: 0.8716744573805351
Energy: 0.7428137766659006
Energy: 0.8912663720720627
Energy: 0.7428137766659006
Energy: 0.8716960537784046
Energy: 0.7415616256538133
Energy: 0.9117935298513248
Energy: 0.7415616256547313
Energy: 0.8933246857965194
Energy: 0.742987241403593
Energy: 0.8770460014341003
Energy: 0.742987241401757
Energy: 0.893500633960141
Energy: 0.7411993090944671
Energy: 0.8763948290436331
Energy: 0.7411993090944671
Energy: 0.8761750833113071
Energy: 0.7411259248663633
Energy: 0.8760705020961169
Energy: 0.7411259248663633
Energy: 0.8766946830035275
Energy: 0.7423652176209999
Energy: 0.8945475271466747
Energy: 0.7423652176200821
Energy: 0.9127265883433935
Energy: 0.7418699977966685
Energy: 0.8931560827689679
Energy: 0.7418699977966685
Energy: 0.9120531317053379
Energy: 0.7417093558431679
Energy: 0.871535227258114
Energy: 0.7417093558440858
Energy: 0.8928674982706645
Energy: 0.7435680177831641
Energy: 0.8711189410042858
Energy: 0.7435680177840821
Energy: 0.890586640609756
Energy: 0.7431591236706757
Energy: 0.8841378889365406
Energy: 0.7431591236715936
Energy: 0.8628797964178764
Energy: 0.7433355307047496
Energy: 0.8870402701312726
Energy: 0.7433355307056674
Energy: 0.8624744499876252
Energy: 0.8417303279174837
Energy: 0.8859699474119379
Energy: 0.8417303279202375
Energy: 0.8644014678553208
Energy: 0.7475419528520519
Energy: 0.8405448168196437
Energy: 0.74754195285297
Energy: 0.8613612978112218
Energy: 0.7480094788866054
Energy: 0.840469545928822
Energy: 0.7480094788856875
Energy: 0.8796268492557522
Energy: 0.8335442103681076
Energy: 0.8406135888330166
Energy: 0.8335442103662716
Energy: 0.8291139291681051
Energy: 0.7580117848074771
Energy: 0.8347795079910615
Energy: 0.7580117848074771
Energy: 0.8113736658612964
Energy: 0.7583884983283417
Energy: 0.833062526983244
Energy: 0.7583884983265059
Energy: 0.8114778515840815
Energy: 0.7879683252069779
Energy: 0.8506862760040592
Energy: 0.787968325207896
Energy: 0.8119708700959218
Energy: 0.7742993307964731
Energy: 0.8371082752486365
Energy: 0.774299330797391
Energy: 0.8114447201610115
Energy: 0.7772926275115412
Energy: 0.850727893611398
Energy: 0.7772926275124591
Energy: 0.8386634148221981
Energy: 0.7770759536273623
Energy: 0.8125479438047851
Energy: 0.7770759536264443
Energy: 0.7863234932075162
Energy: 0.8028968159692901
Energy: 0.8026123412083342
Energy: 0.8028968159692901
Energy: 0.8117805232376294
Energy: 0.7960181086929569
Energy: 0.8011189491129683
Energy: 0.7960181086929569
Energy: 0.8113542908746434
Energy: 0.7760174813500158
Energy: 0.8139374495871204
Energy: 0.7760174813527695
Energy: 0.8010716091844434
Energy: 0.7950552412664221
Energy: 0.8018781473660944
Energy: 0.7950552412673398
Energy: 0.801614171989818
Energy: 0.7768758045732601
Energy: 0.8016714933420034
Energy: 0.7768758045732601
Energy: 0.8045788428528841
Energy: 0.7945605583072874
Energy: 0.8009647181506054
Energy: 0.7945605583072874

minimum gb energy = 0.7411259248663633 eV
minimum distance =  2.30964585384358 Angstroms
sigma value = 113


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

Energy: 0.014891803041762993
Energy: 0.01502107395042078
Energy: 0.9468530278474067
Energy: 0.10521832754364585
Energy: 0.015701667374738822
Energy: 0.10502948900000607
Energy: 0.09027252692764832
Energy: 0.10502948900000607
Energy: 0.09264120981310975
Energy: 0.10518417520759565
Energy: 0.01560212753800066
Energy: 0.10518417520759565
Energy: 0.08763615974924024
Energy: 0.10631072837830643
Energy: 0.016819199256757247
Energy: 0.10631072837830643
Energy: 0.0886352125563981
Energy: 0.10486925736873048
Energy: 0.08926608417967341
Energy: 0.10486925736802485
Energy: 0.015829918897074965
Energy: 0.10602006837902189
Energy: 0.08777881610894786
Energy: 0.10602006837968832

minimum gb energy = 0.014891803041762993 eV
minimum distance =  2.45578199127573 Angstroms
sigma value = 1