Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999765515327
cohesive_energy=4.440349234879022
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.018078325019671267
Energy: 1.0699583136384965
Energy: 0.018078325019671267
Energy: 1.0699583136381665
Energy: 0.018078325019671267
Energy: 1.0699583136384965
Energy: 1.0699583136384965
Energy: 0.018294734089393173
Energy: 1.069958313637873
Energy: 0.01829473408455297
Energy: 1.0699583136381665
Energy: 0.018294734089393173
Energy: 0.018078325019671267
Energy: 1.0699583136384965
Energy: 0.018078325019671267
Energy: 1.0699583136381665
Energy: 0.018078325019671267
Energy: 1.0699583136381665
Energy: 1.0699583136384965
Energy: 0.018294734091006574
Energy: 1.069958313637873
Energy: 0.018294734085212996
Energy: 1.0699583136381665
Energy: 0.01829473408455297
Energy: 0.01807832502000128
Energy: 1.0699583136381665
Energy: 0.018078325019671267
Energy: 1.0699583136384965
Energy: 0.018078325019671267
Energy: 1.0699583136384965
Energy: 1.0699583136384965
Energy: 0.018294734089393173
Energy: 1.069958313637873
Energy: 0.01829473408583636
Energy: 1.0699583136381665
Energy: 0.018294734084882986

minimum gb energy = 0.018078325019671267 eV
minimum distance =  2.49041537022349 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.3094417014493474
Energy: 1.2535503533368597
Energy: 1.3094417014501416
Energy: 1.2535503533376542
Energy: 1.3094417014501416
Energy: 1.2535503533376542
Energy: 1.416196511880764
Energy: 1.1665062684016394
Energy: 1.4161965118799695
Energy: 1.1665062684016394
Energy: 1.4161965118799695
Energy: 1.1665062684016394
Energy: 1.2312950235215239
Energy: 1.279033162931102
Energy: 1.2312950235223183
Energy: 1.2790331629295133
Energy: 1.2312950235215239
Energy: 1.2790331629295133
Energy: 1.330551316921032
Energy: 1.2152702523682033
Energy: 1.3305513169242094
Energy: 1.2152702523689976
Energy: 1.3305513169281813
Energy: 1.2152702523689976
Energy: 1.250111312828132
Energy: 1.3130137966316806
Energy: 1.2501113128273376
Energy: 1.3130137966340638
Energy: 1.250111312828132
Energy: 1.3130137966356523
Energy: 1.3159051498609686
Energy: 1.1780950307111575
Energy: 1.3159051498609686
Energy: 1.1780950307119518
Energy: 1.3159051498601742
Energy: 1.1780950307111575
Energy: 1.2381931637331351
Energy: 1.2810646184969294
Energy: 1.2381931637323411
Energy: 1.2810646184969294
Energy: 1.2381931637331351
Energy: 1.2810646184977237
Energy: 1.2118025254934504
Energy: 1.3800154203040256
Energy: 1.2118025254934504
Energy: 1.3800154203040256
Energy: 1.211802525492656
Energy: 1.3800154203040256
Energy: 1.3518557811949188
Energy: 1.2913699986520464
Energy: 1.3518557811957133
Energy: 1.291369998651252
Energy: 1.3518557811949188
Energy: 1.291369998651252
Energy: 1.1441217436661446
Energy: 1.359820860767629
Energy: 1.1441217436669389
Energy: 1.3598208607684235
Energy: 1.1441217436661446
Energy: 1.359820860770012
Energy: 1.5474424627175989
Energy: 1.1770597835532943
Energy: 1.54744246271601
Energy: 1.1770597835532943
Energy: 1.54744246271601
Energy: 1.1770597835532943
Energy: 1.1356678732526673
Energy: 1.2310459375275933
Energy: 1.1356678732526673
Energy: 1.231045937529182
Energy: 1.1356678732518728
Energy: 1.2310459375244154
Energy: 1.4432101957091348
Energy: 1.1291252593198462
Energy: 1.4432101957083405
Energy: 1.1291252593190517
Energy: 1.443210195707546
Energy: 1.1291252593198462
Energy: 1.1996645084683337
Energy: 1.2482712319186775
Energy: 1.1996645084675395
Energy: 1.2482712319186775
Energy: 1.1996645084675395
Energy: 1.2482712319194718
Energy: 1.453966440150998
Energy: 1.1607168842864606
Energy: 1.453966440150204
Energy: 1.160716884285666
Energy: 1.453966440150204
Energy: 1.1607168842864606
Energy: 1.4563248675072198
Energy: 1.3132683423139695
Energy: 1.4563248675072198
Energy: 1.3132683423123808
Energy: 1.4563248675072198
Energy: 1.3132683423123808
Energy: 1.2660578338966153
Energy: 1.2715822934184795
Energy: 1.2660578338974098
Energy: 1.271582293419274
Energy: 1.2660578338966153
Energy: 1.2715822934184795
Energy: 1.2656494768396176
Energy: 1.231506220524312
Energy: 1.2656494768388231
Energy: 1.231506220524312
Energy: 1.2656494768396176
Energy: 1.231506220524312
Energy: 1.1520199592051603
Energy: 1.2148696931285408
Energy: 1.1520199592051603
Energy: 1.214869693126952
Energy: 1.1520199592043656
Energy: 1.214869693127746
Energy: 1.2962675815040556
Energy: 1.1778590932372697
Energy: 1.2962675815032612
Energy: 1.1778590932372697
Energy: 1.296267581502467
Energy: 1.1778590932372697
Energy: 1.1808575274261872
Energy: 1.404551724338965
Energy: 1.1808575274261872
Energy: 1.404551724337376
Energy: 1.1808575274253927
Energy: 1.404551724337376
Energy: 1.3299518975281597
Energy: 1.2839831770920624
Energy: 1.3299518975265712
Energy: 1.283983177092857
Energy: 1.3299518975273654
Energy: 1.2839831770920624
Energy: 1.1212967190178473
Energy: 1.4081968546154033
Energy: 1.121296719017053
Energy: 1.4081968546154033
Energy: 1.1212967190178473
Energy: 1.4081968546154033

minimum gb energy = 1.121296719017053 eV
minimum distance =  2.2496427285267 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.4207445452081369
Energy: 1.372738878441026
Energy: 1.3688405131085788
Energy: 1.372738878440574
Energy: 1.4207445452081369
Energy: 1.372738878441026
Energy: 1.4139908145889024
Energy: 1.2191669322918968
Energy: 1.4139908145893543
Energy: 1.2191669322918968
Energy: 1.4139908145893543
Energy: 1.2191669322918968
Energy: 1.1941338919805993
Energy: 1.2181308217857205
Energy: 1.1941338919805993
Energy: 1.2181308217866242
Energy: 1.1941338919810511
Energy: 1.2181308217857205
Energy: 1.4144679040284567
Energy: 1.3523416662322778
Energy: 1.4144679040289083
Energy: 1.3523416662322778
Energy: 1.4144679040284567
Energy: 1.3523416662322778
Energy: 1.2882527053322665
Energy: 1.2926240482204803
Energy: 1.2882527053322665
Energy: 1.2926240482164137
Energy: 1.2882527053322665
Energy: 1.2926240482164137
Energy: 1.2216201484550437
Energy: 1.1941335058319833
Energy: 1.2216201484550437
Energy: 1.1941335058324352
Energy: 1.2216201484554954
Energy: 1.1941335058324352
Energy: 1.3999708704347285
Energy: 1.346109735853482
Energy: 1.3997800444211017
Energy: 1.3461097358539338
Energy: 1.3999708704338247
Energy: 1.3461097358539338
Energy: 1.163797945008177
Energy: 1.4241084163133906
Energy: 1.1638103893280145
Energy: 1.4241084163129387
Energy: 1.1637979450086289
Energy: 1.4241084163138424
Energy: 1.1979724811217156
Energy: 1.1985177152872735
Energy: 1.1979724811221675
Energy: 1.1985177152868216
Energy: 1.1979724811221675
Energy: 1.1985177152868216
Energy: 1.1704947730852817
Energy: 1.364064645550087
Energy: 1.1704956887175166
Energy: 1.364064645552798
Energy: 1.1704947730852817
Energy: 1.364064645555961
Energy: 1.2689045826698038
Energy: 1.1739295587424987
Energy: 1.2689045826752257
Energy: 1.1739295587424987
Energy: 1.268904582672063
Energy: 1.1739295587424987
Energy: 1.1945564748639752
Energy: 1.2950561677232595
Energy: 1.1945566623799186
Energy: 1.2950561677232595
Energy: 1.1945564748639752
Energy: 1.2950561677232595
Energy: 1.294559258713527
Energy: 1.1720335990663502
Energy: 1.294559258713979
Energy: 1.1720335990663502
Energy: 1.2945592587148824
Energy: 1.1720335990663502
Energy: 1.2930355170443142
Energy: 1.3801358844684195
Energy: 1.293035517044766
Energy: 1.3801358844688714
Energy: 1.2930355170443142
Energy: 1.3801358844688714
Energy: 1.312079869393862
Energy: 1.2177164967156155
Energy: 1.3120798693934101
Energy: 1.2177164967160674
Energy: 1.3120798693934101
Energy: 1.2177164967160674
Energy: 1.194872519491992
Energy: 1.2173294706849627
Energy: 1.194872519492444
Energy: 1.217329470685414
Energy: 1.194872519491992
Energy: 1.217329470685414
Energy: 1.409656294066116
Energy: 1.3446301545072346
Energy: 1.4096562940665678
Energy: 1.3446301545072346
Energy: 1.4096562940665678
Energy: 1.3446301545072346
Energy: 1.287848062912952
Energy: 1.1940257194815966
Energy: 1.2878480629120486
Energy: 1.1940257194811448
Energy: 1.2878480629125002
Energy: 1.1940257194815966
Energy: 1.223701374772387
Energy: 1.2130382361505974
Energy: 1.223701374772387
Energy: 1.2130382361505974
Energy: 1.223701374772387
Energy: 1.2130382361505974
Energy: 1.3743572054444961
Energy: 1.3494353168932434
Energy: 1.3743572054440443
Energy: 1.3494353168927915
Energy: 1.3743572054444961
Energy: 1.3494353168927915
Energy: 1.1307350515783103
Energy: 1.4171248799439113
Energy: 1.1307350515778587
Energy: 1.4171248799448153
Energy: 1.1307350515778587
Energy: 1.4171248799457188
Energy: 1.2177622347074015
Energy: 1.1982832384771027
Energy: 1.2177622347087569
Energy: 1.198283238476651
Energy: 1.2177622347096608
Energy: 1.1982832384771027
Energy: 1.170516722846418
Energy: 1.3660323876965343
Energy: 1.1705128933186886
Energy: 1.3660323877001492
Energy: 1.170516722846418
Energy: 1.3660323876996974
Energy: 1.3609731777949088
Energy: 1.2899534107660555
Energy: 1.360973177797168
Energy: 1.2899534107660555
Energy: 1.360973177797168
Energy: 1.2899534107660555
Energy: 1.1940922267764527
Energy: 1.222591313169934
Energy: 1.1943239457836663
Energy: 1.2225913131694823
Energy: 1.1940922267764527
Energy: 1.222591313169934
Energy: 1.425569356820994
Energy: 1.3527443899781375
Energy: 1.3745707565041578
Energy: 1.3527443899781375
Energy: 1.4255693568218972
Energy: 1.3527443899781375
Energy: 1.42484645935691
Energy: 1.3262570121196167
Energy: 1.3736401441769093
Energy: 1.3262570121196167
Energy: 1.4248464593560064
Energy: 1.3262570121196167
Energy: 1.1940228250826252
Energy: 1.1973045147656936
Energy: 1.1940228250821734
Energy: 1.1973045147661454
Energy: 1.1940228250826252
Energy: 1.1973045147661454
Energy: 1.3627736476763366
Energy: 1.2186792035840965
Energy: 1.3627736476695589
Energy: 1.2186792035836445
Energy: 1.3627736476736256
Energy: 1.2186792035840965
Energy: 1.170542895053983
Energy: 1.2654715258613458
Energy: 1.170542895053531
Energy: 1.2654715260537488
Energy: 1.170542895053983
Energy: 1.2654715262416332
Energy: 1.2873155762308142
Energy: 1.1985139848422162
Energy: 1.2873155762326214
Energy: 1.1985139848422162
Energy: 1.287315576233525
Energy: 1.1985139848422162
Energy: 1.1703798435703923
Energy: 1.2206690631398913
Energy: 1.1703798435703923
Energy: 1.2206690631367283
Energy: 1.1703798435703923
Energy: 1.2206690631453134
Energy: 1.4013440684316976
Energy: 1.34940656052015
Energy: 1.4013101139408386
Energy: 1.34940656052015
Energy: 1.4013440684321494
Energy: 1.34940656052015
Energy: 1.219204510001209
Energy: 1.3110512146002165
Energy: 1.2192045100007574
Energy: 1.3110512146002165
Energy: 1.2192045100007574
Energy: 1.3110512146002165
Energy: 1.2177696352834477
Energy: 1.1942821134800097
Energy: 1.217769635282996
Energy: 1.1942821134800097
Energy: 1.217769635282544
Energy: 1.1942821134800097
Energy: 1.3477594932381436
Energy: 1.4105558742577289
Energy: 1.3477594932381436
Energy: 1.4105558742577289
Energy: 1.3477594932381436
Energy: 1.4105558742577289
Energy: 1.194294411535958
Energy: 1.2878259125879263
Energy: 1.1942895896758878
Energy: 1.2878259125883782
Energy: 1.194294411535958
Energy: 1.2878259125874745
Energy: 1.2227747043957873
Energy: 1.220825911092363
Energy: 1.2227747043957873
Energy: 1.220825911092363
Energy: 1.2227747043957873
Energy: 1.2208259110919113
Energy: 1.2932733097417226
Energy: 1.3799440696018876
Energy: 1.2932733097417226
Energy: 1.3799440696023395
Energy: 1.2932733097417226
Energy: 1.3799440696023395
Energy: 1.423871186959179
Energy: 1.1303568562884085
Energy: 1.4238711869605343
Energy: 1.1303568562879571
Energy: 1.423871186959179
Energy: 1.1303568562879571
Energy: 1.194623608735535
Energy: 1.1951898571059458
Energy: 1.194623608735535
Energy: 1.1951898571059458
Energy: 1.194623608735535
Energy: 1.195189857105494

minimum gb energy = 1.1303568562879571 eV
minimum distance =  2.35076742754861 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.286747858102151
Energy: 1.3045921186230185
Energy: 1.286747858102151
Energy: 1.3045921186230185
Energy: 1.286747858101104
Energy: 1.3045921186230185
Energy: 1.3907389169802067
Energy: 1.2320192524816715
Energy: 1.3907389169802067
Energy: 1.2320192524816715
Energy: 1.3907389169802067
Energy: 1.2320192524816715
Energy: 1.1882569243224705
Energy: 1.3038961277011232
Energy: 1.1882569243224705
Energy: 1.303896127700076
Energy: 1.1882569243224705
Energy: 1.3038961277011232
Energy: 1.2678616269899505
Energy: 1.135742022834471
Energy: 1.2678616269899505
Energy: 1.135742022834471
Energy: 1.2678616269889036
Energy: 1.1357420228355182
Energy: 1.3047529986101647
Energy: 1.2395102948178145
Energy: 1.3047529986101647
Energy: 1.2395102948178145
Energy: 1.3047529986091175
Energy: 1.2395102948178145
Energy: 1.2384092168750567
Energy: 1.239274757554806
Energy: 1.2384092168781975
Energy: 1.239274757553759
Energy: 1.2384092168771506
Energy: 1.239274757553759
Energy: 1.2836731000989248
Energy: 1.2394328875846985
Energy: 1.2836731000989248
Energy: 1.2394328875846985
Energy: 1.2836731000989248
Energy: 1.2394328875846985
Energy: 1.1895709845710882
Energy: 1.2410140904111129
Energy: 1.1895709845710882
Energy: 1.241014090410066
Energy: 1.1895709845710882
Energy: 1.241014090410066
Energy: 1.4695902613708047
Energy: 1.1353891309912771
Energy: 1.4695902613697576
Energy: 1.1353891309912771
Energy: 1.4695902613718514
Energy: 1.1353891309912771
Energy: 1.162251416285209
Energy: 1.34638128176178
Energy: 1.162251416285209
Energy: 1.3463812817575924
Energy: 1.162251416284162
Energy: 1.3463812817565453
Energy: 1.3779685707599085
Energy: 1.1443306902206014
Energy: 1.3779685707599085
Energy: 1.1443306902206014
Energy: 1.3779685707599085
Energy: 1.1443306902206014
Energy: 1.2898801324445188
Energy: 1.30806522618844
Energy: 1.2898801324445188
Energy: 1.30806522618844
Energy: 1.2898801324445188
Energy: 1.30806522618844
Energy: 1.3862960731531682
Energy: 1.2313967313083227
Energy: 1.3862960731521212
Energy: 1.2313967313072758
Energy: 1.3862960731531682
Energy: 1.2313967313083227
Energy: 1.2232459559747957
Energy: 1.2102930283325564
Energy: 1.2232459559747957
Energy: 1.2102930283325564
Energy: 1.2232459559747957
Energy: 1.2102930283325564
Energy: 1.2887095376314512
Energy: 1.284588644194826
Energy: 1.2887095376314512
Energy: 1.284588644194826
Energy: 1.2887095376314512
Energy: 1.284588644194826
Energy: 1.3052236284407175
Energy: 1.2392119486519542
Energy: 1.3052236284386234
Energy: 1.2392119486519542
Energy: 1.3052236284396703
Energy: 1.2392119486519542
Energy: 1.3053176787641214
Energy: 1.3450245523539075
Energy: 1.3053176787630745
Energy: 1.3450245523549547
Energy: 1.3053176787641214
Energy: 1.3450245523539075
Energy: 1.2863253058460604
Energy: 1.2440933702892203
Energy: 1.2863253058460604
Energy: 1.2440933702892203
Energy: 1.2863253058460604
Energy: 1.2440933702892203

minimum gb energy = 1.1353891309912771 eV
minimum distance =  2.24586814061063 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.0718878686972397
Energy: 1.101265059117442
Energy: 1.0718878686972397
Energy: 1.101265059117442
Energy: 1.0718878686972397
Energy: 1.101265059117442
Energy: 1.2029433166143029
Energy: 1.3031338121021379
Energy: 1.2029433166136818
Energy: 1.3031338121021379
Energy: 1.2029433166143029
Energy: 1.303133812102759
Energy: 1.0357281901544053
Energy: 1.2987432570812203
Energy: 1.0357281901544053
Energy: 1.2987432570812203
Energy: 1.0357281901544053
Energy: 1.2987432570824624
Energy: 1.1294622336560665
Energy: 1.0357036919930678
Energy: 1.1294622336560665
Energy: 1.0357036919924467
Energy: 1.1294622336560665
Energy: 1.0357036919930678
Energy: 1.0569573964259653
Energy: 1.0694686812972014
Energy: 1.0569573964259653
Energy: 1.0694686812972014
Energy: 1.0569573964253445
Energy: 1.0694686812972014
Energy: 1.0569842461378678
Energy: 1.0694725102766403
Energy: 1.0569842461378678
Energy: 1.0694725102766403
Energy: 1.0569842461378678
Energy: 1.0694725102766403
Energy: 1.1294657591672292
Energy: 1.0356468751647356
Energy: 1.1294657591672292
Energy: 1.0356468751641146
Energy: 1.1294657591672292
Energy: 1.0356468751647356
Energy: 1.035721813427604
Energy: 1.3000538497707712
Energy: 1.035721813427604
Energy: 1.3000538497713925
Energy: 1.035721813426983
Energy: 1.3000538497707712
Energy: 1.204706984792527
Energy: 1.3031885109976207
Energy: 1.204706984793148
Energy: 1.3031885109969996
Energy: 1.204706984792527
Energy: 1.3031885109969996
Energy: 1.0718878686972397
Energy: 1.1012650591180628
Energy: 1.0718878686972397
Energy: 1.1012650591180628
Energy: 1.0718878686972397
Energy: 1.101265059117442
Energy: 1.2029433166136818
Energy: 1.303133812101517
Energy: 1.2029433166143029
Energy: 1.303133812101517
Energy: 1.2029433166143029
Energy: 1.3031338121021379
Energy: 1.0357281901544053
Energy: 1.2987432570818414
Energy: 1.0357281901544053
Energy: 1.2987432570824624
Energy: 1.0357281901544053
Energy: 1.2987432570818414
Energy: 1.1294622336554456
Energy: 1.0357036919930678
Energy: 1.1294622336554456
Energy: 1.0357036919924467
Energy: 1.1294622336554456
Energy: 1.0357036919924467
Energy: 1.0569573964253445
Energy: 1.0694686812965808
Energy: 1.0569573964259653
Energy: 1.0694686812972014
Energy: 1.0569573964253445
Energy: 1.0694686812972014
Energy: 1.0569842461378678
Energy: 1.0694725102766403
Energy: 1.0569842461378678
Energy: 1.0694725102766403
Energy: 1.056984246138489
Energy: 1.0694725102766403
Energy: 1.1294657591672292
Energy: 1.0356468751647356
Energy: 1.1294657591672292
Energy: 1.0356468751647356
Energy: 1.1294657591672292
Energy: 1.0356468751647356
Energy: 1.035721813426983
Energy: 1.3000538497707712
Energy: 1.035721813427604
Energy: 1.3000538497713925
Energy: 1.035721813427604
Energy: 1.3000538497701501
Energy: 1.204706984793769
Energy: 1.3031885109969996
Energy: 1.204706984793148
Energy: 1.3031885109969996
Energy: 1.204706984792527
Energy: 1.3031885109969996
Energy: 1.0718878686972397
Energy: 1.101265059117442
Energy: 1.0718878686972397
Energy: 1.1012650591180628
Energy: 1.0718878686972397
Energy: 1.1012650591168207
Energy: 1.2029433166143029
Energy: 1.303133812101517
Energy: 1.2029433166143029
Energy: 1.3031338121021379
Energy: 1.2029433166143029
Energy: 1.303133812101517
Energy: 1.0357281901544053
Energy: 1.2987432570805995
Energy: 1.0357281901544053
Energy: 1.2987432570843254
Energy: 1.0357281901544053
Energy: 1.2987432570812203
Energy: 1.1294622336560665
Energy: 1.0357036919924467
Energy: 1.1294622336560665
Energy: 1.0357036919924467
Energy: 1.1294622336560665
Energy: 1.0357036919924467
Energy: 1.0569573964253445
Energy: 1.0694686812972014
Energy: 1.0569573964253445
Energy: 1.0694686812965808
Energy: 1.0569573964259653
Energy: 1.0694686812972014
Energy: 1.056984246138489
Energy: 1.0694725102766403
Energy: 1.056984246138489
Energy: 1.0694725102766403
Energy: 1.0569842461378678
Energy: 1.0694725102766403
Energy: 1.1294657591678503
Energy: 1.0356468751647356
Energy: 1.1294657591672292
Energy: 1.0356468751641146
Energy: 1.1294657591672292
Energy: 1.0356468751647356
Energy: 1.035721813427604
Energy: 1.3000538497707712
Energy: 1.035721813427604
Energy: 1.3000538497713925
Energy: 1.035721813427604
Energy: 1.3000538497707712
Energy: 1.204706984792527
Energy: 1.3031885109976207
Energy: 1.204706984792527
Energy: 1.3031885109969996
Energy: 1.204706984792527
Energy: 1.3031885109969996
Energy: 1.0718878686966187
Energy: 1.101265059117442
Energy: 1.0718878686966187
Energy: 1.1012650591180628
Energy: 1.0718878686972397
Energy: 1.101265059117442
Energy: 1.2029433166136818
Energy: 1.3031338121021379
Energy: 1.2029433166143029
Energy: 1.303133812101517
Energy: 1.2029433166136818
Energy: 1.3031338121021379
Energy: 1.0357281901544053
Energy: 1.2987432570818414
Energy: 1.0357281901544053
Energy: 1.2987432570824624
Energy: 1.0357281901544053
Energy: 1.2987432570824624

minimum gb energy = 1.0356468751641146 eV
minimum distance =  2.25792221923758 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.0734078491318304
Energy: 1.037509993216863
Energy: 1.0734078491318304
Energy: 1.037509993216863
Energy: 1.0734078491318304
Energy: 1.037509993216863
Energy: 1.236111408733285
Energy: 1.0724683162183766
Energy: 1.236111408733285
Energy: 1.0724683162183766
Energy: 1.236111408731764
Energy: 1.0724683162183766
Energy: 1.0823605158931404
Energy: 1.2198773159789706
Energy: 1.0823605158946616
Energy: 1.219877315980492
Energy: 1.0823605158931404
Energy: 1.219877315980492
Energy: 1.2048455095491541
Energy: 1.0038464710468193
Energy: 1.2048455095491541
Energy: 1.0038464710468193
Energy: 1.2048455095491541
Energy: 1.0038464710468193
Energy: 1.2048723014177902
Energy: 1.0040681159817841
Energy: 1.2048723014177902
Energy: 1.0040681159817841
Energy: 1.2048723014177902
Energy: 1.0040681159817841
Energy: 1.2177633978505775
Energy: 1.2784660328676745
Energy: 1.2177633978505775
Energy: 1.2784660328661532
Energy: 1.2177633978505775
Energy: 1.2784660328661532
Energy: 1.004417692151899
Energy: 1.0750148723887272
Energy: 1.0044176921534202
Energy: 1.0750148723887272
Energy: 1.004417692151899
Energy: 1.0750148723902484
Energy: 1.069350436525715
Energy: 1.0380254417724217
Energy: 1.069350436525715
Energy: 1.0380254417724217
Energy: 1.069350436525715
Energy: 1.0380254417724217
Energy: 1.2337575185153558
Energy: 1.0822001564902863
Energy: 1.2337575185153558
Energy: 1.0822001477796077
Energy: 1.2337575185153558
Energy: 1.0822001574664366
Energy: 1.1863858176056739
Energy: 1.2177511740201898
Energy: 1.1863858176056739
Energy: 1.2177511740217108
Energy: 1.1863858176056739
Energy: 1.2177511740201898
Energy: 1.0385660294691061
Energy: 1.0046577055500217
Energy: 1.0385660294691061
Energy: 1.0046577055500217
Energy: 1.0385660294691061
Energy: 1.0046577055500217
Energy: 1.2756107296760741
Energy: 1.1516931346027544
Energy: 1.2756107296760741
Energy: 1.1516931346012333
Energy: 1.2756107296760741
Energy: 1.1516931346012333

minimum gb energy = 1.0038464710468193 eV
minimum distance =  2.23623352844564 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.080689048989178
Energy: 1.0389352341180198
Energy: 1.080689048989178
Energy: 1.0389352341184472
Energy: 1.080689048989178
Energy: 1.0389352341184472
Energy: 1.0390330171156168
Energy: 1.0165934456261558
Energy: 1.0390330170194906
Energy: 1.0165934456261558
Energy: 1.039033017214696
Energy: 1.0165934456270107
Energy: 0.9594269098930936
Energy: 1.0817424879834512
Energy: 0.9594269098930936
Energy: 1.0817424879843056
Energy: 0.959426909893521
Energy: 1.0817424879838786
Energy: 0.9756525298814395
Energy: 0.9423417451294357
Energy: 0.9756525298818669
Energy: 0.9423417451294357
Energy: 0.9756525298814395
Energy: 0.9423417451294357
Energy: 1.0430248475948565
Energy: 1.0195798102957574
Energy: 1.0430248475944293
Energy: 1.0195798102953302
Energy: 1.0430248475940018
Energy: 1.0195798102957574
Energy: 1.0640692983719526
Energy: 1.055143837266007
Energy: 1.06406929837238
Energy: 1.05514383726387
Energy: 1.06406929837238
Energy: 1.0551438372655795
Energy: 0.9943722455797294
Energy: 1.0628696592344835
Energy: 0.9943722455805842
Energy: 1.0628696592344835
Energy: 0.9943722455805842
Energy: 1.0628696592353382
Energy: 0.9171654355471801
Energy: 1.0605353976970686
Energy: 0.9171654355476075
Energy: 1.0605353976970686
Energy: 0.9171654355471801
Energy: 1.0605353976970686
Energy: 1.088216235194738
Energy: 1.0199669672001273
Energy: 1.0882162351955926
Energy: 1.0199669672005547
Energy: 1.0882162351934557
Energy: 1.0199669672001273
Energy: 1.0658926530522277
Energy: 1.1453132833450372
Energy: 1.0658926530518005
Energy: 1.1453132833446096
Energy: 1.0658926530535098
Energy: 1.1453132833441824
Energy: 0.9755276078651905
Energy: 0.94938388689398
Energy: 0.9755276078651905
Energy: 0.94938388689398
Energy: 0.9755276078651905
Energy: 0.9493838868944074
Energy: 1.007660262739373
Energy: 1.071498602488358
Energy: 1.007660262739373
Energy: 1.0714986024879303
Energy: 1.0076602627389455
Energy: 1.0714986024887851
Energy: 1.0325375062411142
Energy: 1.0313441749550727
Energy: 1.0325375062402593
Energy: 1.0313441749559273
Energy: 1.032537506238977
Energy: 1.0313441749559273
Energy: 1.076957487323532
Energy: 1.0010327557534995
Energy: 1.076957487322677
Energy: 1.0010327557393952
Energy: 1.0769574873218222
Energy: 1.001032755742387
Energy: 0.9535313563078822
Energy: 1.050133963632068
Energy: 0.9535313563078822
Energy: 1.050133963632068
Energy: 0.9535313563083097
Energy: 1.0501339636342049
Energy: 0.9722952490569032
Energy: 0.9958868248213744
Energy: 0.9722952490573307
Energy: 0.9958868248218017
Energy: 0.9722952490569032
Energy: 0.9958868248213744
Energy: 1.2456827679078561
Energy: 0.9429699086037255
Energy: 1.2456827679078561
Energy: 0.942969908610564
Energy: 1.2456827679078561
Energy: 0.9429699086101365
Energy: 0.967080288540366
Energy: 1.0174701405170299
Energy: 0.967080288540366
Energy: 1.0174701405170299
Energy: 0.9670802885407933
Energy: 1.0174701405170299
Energy: 0.9129473403354056
Energy: 1.2403857598307577
Energy: 0.9129473403354056
Energy: 1.2403857598311852
Energy: 0.9129473403354056
Energy: 1.2403857598303305
Energy: 1.1428540448422426
Energy: 0.9795830765903771
Energy: 1.1428540448426698
Energy: 0.9795830765903771
Energy: 1.142854044843097
Energy: 0.9795830765878515
Energy: 0.9129170501855782
Energy: 1.2404272048814864
Energy: 0.9129170501855782
Energy: 1.2404272048772125
Energy: 0.9129170501860057
Energy: 1.2404272048831961
Energy: 0.9671174807506387
Energy: 1.0175312811539423
Energy: 0.9671174807506387
Energy: 1.0175312811543697
Energy: 0.9671174807506387
Energy: 1.0175312811539423
Energy: 1.2457734640523492
Energy: 0.9432149850461324
Energy: 1.2457734640527767
Energy: 0.9432149850474145
Energy: 1.2457734640523492
Energy: 0.9432149850482695
Energy: 0.9725341690907533
Energy: 1.052548442274506
Energy: 0.9725341690894712
Energy: 1.0525484422732239
Energy: 0.9725341690894712
Energy: 1.0525484422727964
Energy: 0.9532077963747345
Energy: 1.0500141786487853
Energy: 0.9532077963747345
Energy: 1.0500141786483579
Energy: 0.9532077963751618
Energy: 1.0500141786487853
Energy: 1.0767047304235418
Energy: 1.054941492826825
Energy: 1.0767047304214048
Energy: 1.0549414928281073
Energy: 1.076704730421832
Energy: 1.0549414928293894
Energy: 1.0320184878662768
Energy: 1.03133671700416
Energy: 1.0320184878654222
Energy: 1.031336717003305
Energy: 1.0320184878658496
Energy: 1.0313367170015955
Energy: 1.0076193637088022
Energy: 1.0114413521614467
Energy: 1.0076193637088022
Energy: 1.0114413521610195
Energy: 1.0076193637083748
Energy: 1.0114413521605918
Energy: 0.9755509356204283
Energy: 0.9490243625204066
Energy: 0.9755509356204283
Energy: 0.949024362520834
Energy: 0.9755509356204283
Energy: 0.949024362520834
Energy: 1.0659569803316613
Energy: 0.98781075138699
Energy: 1.0659569803295246
Energy: 0.9878107513848529
Energy: 1.0659569803295246
Energy: 0.9878107513865625
Energy: 1.0879242395930322
Energy: 1.0200141639182703
Energy: 1.0879242395934594
Energy: 1.0200141639186975
Energy: 1.0879242395930322
Energy: 1.0200141639186975
Energy: 0.9171743345379421
Energy: 1.0607789766069575
Energy: 0.9171743345379421
Energy: 1.0607789766069575
Energy: 0.9171743345379421
Energy: 1.0607789766073852
Energy: 0.9945230849176391
Energy: 1.0630772320569175
Energy: 0.9945230849176391
Energy: 1.0630772320573447
Energy: 0.9945230849176391
Energy: 1.0630772320573447
Energy: 1.0647010974624753
Energy: 1.0383580890604254
Energy: 1.0647010974616202
Energy: 1.0383580890608528
Energy: 1.0647010974616202
Energy: 1.0383580890612802
Energy: 1.0429822096188432
Energy: 1.0196969902501618
Energy: 1.0429822096209802
Energy: 1.0196969902510165
Energy: 1.0429822096188432
Energy: 1.019696990250589
Energy: 0.9779525695500537
Energy: 0.9425816368805369
Energy: 0.9779525695500537
Energy: 0.9425816368801095
Energy: 0.9779525695500537
Energy: 0.9425816368801095
Energy: 0.9596590489687529
Energy: 1.0818604799347316
Energy: 0.9596590489683253
Energy: 1.081860479933022
Energy: 0.9596590489683253
Energy: 1.0818604799343043
Energy: 1.039161657468003
Energy: 0.9588659659522824
Energy: 1.0391616574590663
Energy: 0.9588659659518549
Energy: 1.03916165743214
Energy: 0.9588659659522824
Energy: 1.080689048989178
Energy: 1.038935234119302
Energy: 1.0806890489896057
Energy: 1.0389352341197295
Energy: 1.080689048989178
Energy: 1.0389352341188747
Energy: 1.0390330174846962
Energy: 1.0165934456261558
Energy: 1.0390330174979459
Energy: 1.016593445626583
Energy: 1.039033017679941
Energy: 1.0165934456261558
Energy: 0.9594269098930936
Energy: 1.081742487986443
Energy: 0.959426909893521
Energy: 1.0817424879851607
Energy: 0.959426909893521
Energy: 1.0817424879860156
Energy: 0.9756525298814395
Energy: 0.9423417451320001
Energy: 0.9756525298814395
Energy: 0.9423417451324274
Energy: 0.9756525298814395
Energy: 0.9423417451320001
Energy: 1.0430248475944293
Energy: 1.0195798102953302
Energy: 1.0430248475948565
Energy: 1.0195798102961848
Energy: 1.0430248475940018
Energy: 1.0195798102953302

minimum gb energy = 0.9129170501855782 eV
minimum distance =  2.29054598265273 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.0472111383799547
Energy: 0.9298740033505272
Energy: 1.0472111383799547
Energy: 0.9298740033505272
Energy: 1.0472111383799547
Energy: 0.9298740033505272
Energy: 0.6771230277557196
Energy: 0.875361799219108
Energy: 0.6771230277557196
Energy: 0.875361799219108
Energy: 0.6771230277557196
Energy: 0.875361799219108
Energy: 0.9523833392358546
Energy: 1.015017614887538
Energy: 0.9523833392358546
Energy: 1.015017614889484
Energy: 0.9523833392358546
Energy: 1.015017614887538
Energy: 0.7498197723493494
Energy: 0.7613618031359989
Energy: 0.7498197723493494
Energy: 0.7613618031359989
Energy: 0.7498197723493494
Energy: 0.7613618031350261
Energy: 0.6429354684434516
Energy: 0.6788827708757441
Energy: 0.6429354684434516
Energy: 0.6788827708757441
Energy: 0.6429354684434516
Energy: 0.6788827708757441
Energy: 0.4798202082164521
Energy: 0.9478463916993994
Energy: 0.4798202082164521
Energy: 0.9478463916993994
Energy: 0.4798202082154792
Energy: 0.9478463916993994
Energy: 0.4798204803724354
Energy: 0.8760916742343087
Energy: 0.4798204803724354
Energy: 0.8760916742352814
Energy: 0.4798204803724354
Energy: 0.8760916742343087
Energy: 0.6785991253351442
Energy: 0.6470844391610178
Energy: 0.6785991253341712
Energy: 0.6470844391600448
Energy: 0.6785991253351442
Energy: 0.6470844391590719
Energy: 0.7459528857969213
Energy: 0.7613541023279422
Energy: 0.7459528857969213
Energy: 0.7613541023279422
Energy: 0.7459528857959484
Energy: 0.7613541023279422
Energy: 0.8188992459551747
Energy: 1.1309336558510372
Energy: 0.8188992459551747
Energy: 1.1309336558510372
Energy: 0.8188992459551747
Energy: 1.1309336558481187
Energy: 0.6423862852379185
Energy: 0.8767953494671239
Energy: 0.6423862852349997
Energy: 0.8767953494661511
Energy: 0.6423862852379185
Energy: 0.8767953494661511
Energy: 1.0472111383799547
Energy: 0.9298740033505272
Energy: 1.0472111383809275
Energy: 0.9298740033505272
Energy: 1.0472111383809275
Energy: 0.9298740033505272
Energy: 0.6771230277566925
Energy: 0.875361799219108
Energy: 0.6771230277566925
Energy: 0.875361799219108
Energy: 0.6771230277566925
Energy: 0.875361799219108
Energy: 0.9523833392358546
Energy: 1.015017614887538
Energy: 0.9523833392358546
Energy: 1.015017614888511
Energy: 0.9523833392358546
Energy: 1.015017614887538
Energy: 0.7498197723493494
Energy: 0.7613618031350261
Energy: 0.7498197723493494
Energy: 0.7613618031350261
Energy: 0.7498197723493494
Energy: 0.7613618031350261
Energy: 0.6429354684424786
Energy: 0.6788827708757441
Energy: 0.6429354684424786
Energy: 0.6788827708757441
Energy: 0.6429354684434516
Energy: 0.6788827708757441
Energy: 0.4798202082164521
Energy: 0.9478463916974537
Energy: 0.4798202082164521
Energy: 0.9478463916974537
Energy: 0.4798202082164521
Energy: 0.9478463916984267
Energy: 0.4798204803724354
Energy: 0.8760916742352814
Energy: 0.4798204803724354
Energy: 0.8760916742343087
Energy: 0.4798204803724354
Energy: 0.8760916742343087
Energy: 0.6785991253351442
Energy: 0.6470844391590719
Energy: 0.6785991253351442
Energy: 0.6470844391580989
Energy: 0.6785991253351442
Energy: 0.6470844391590719

minimum gb energy = 0.4798202082154792 eV
minimum distance =  2.39873783583891 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.9400530355334029
Energy: 1.0426239367901355
Energy: 0.9400530355334029
Energy: 1.0426239367901355
Energy: 0.9400530355334029
Energy: 1.0426239367901355
Energy: 1.0817329113241523
Energy: 0.9160298136576482
Energy: 1.0817329113234397
Energy: 0.9160298136583608
Energy: 1.0817329113241523
Energy: 0.9160298136583608
Energy: 1.0453353717599618
Energy: 1.2136228059054734
Energy: 1.0453353717606744
Energy: 1.2136228059033352
Energy: 1.0453353717599618
Energy: 1.2136228059054734
Energy: 0.9883944866128455
Energy: 0.8486416137750777
Energy: 0.9883944866107076
Energy: 0.8486416137757904
Energy: 0.9883944866099947
Energy: 0.8486416137750777
Energy: 1.0071119211129231
Energy: 0.8132481337756096
Energy: 1.0071119211129231
Energy: 0.8132481337748967
Energy: 1.0071119211129231
Energy: 0.8132481337748967
Energy: 0.9916161271337933
Energy: 0.8338778927953207
Energy: 0.991616127134506
Energy: 0.8338778927860557
Energy: 0.991616127134506
Energy: 0.8338778927967461
Energy: 0.8107960681862635
Energy: 0.8990302229603284
Energy: 0.8107960681862635
Energy: 0.8990302229603284
Energy: 0.8107960681862635
Energy: 0.8990302229596157
Energy: 1.0479725357632985
Energy: 0.7810941545834733
Energy: 1.047972535762586
Energy: 0.7810941545841861
Energy: 1.047972535762586
Energy: 0.7810941545841861
Energy: 1.0447096389932524
Energy: 0.78475444328033
Energy: 1.0447096389932524
Energy: 0.78475444328033
Energy: 1.0447096389925399
Energy: 0.78475444328033
Energy: 0.803735901721317
Energy: 1.1340383333855903
Energy: 0.8037359017220297
Energy: 1.1340383333848778
Energy: 0.803735901721317
Energy: 1.1340383333848778
Energy: 1.0040340650702875
Energy: 1.002721176179375
Energy: 1.0040340650702875
Energy: 1.0027211761800876
Energy: 1.004034065071
Energy: 1.0027211761800876
Energy: 0.921879008602836
Energy: 0.8163180969436222
Energy: 0.921879008602836
Energy: 0.816318096944335
Energy: 0.921879008602836
Energy: 0.816318096944335
Energy: 1.0683692019320352
Energy: 0.8542325958937487
Energy: 1.0683692019320352
Energy: 0.854232595893036
Energy: 1.068369201932748
Energy: 0.8542325958923233
Energy: 1.0212553067414367
Energy: 1.1787440672182103
Energy: 1.0212553067435746
Energy: 1.1787440672174978
Energy: 1.0212553067435746
Energy: 1.1787440672182103
Energy: 1.0780278973692528
Energy: 0.9268045653312996
Energy: 1.0780278973692528
Energy: 0.9268045653305871
Energy: 1.0780278973678274
Energy: 0.9268045653305871
Energy: 0.897590069856689
Energy: 1.0488244974732899
Energy: 0.897590069856689
Energy: 1.0488244974747154
Energy: 0.8975900698559762
Energy: 1.0488244974740024
Energy: 0.8701902426291707
Energy: 0.9149510917048324
Energy: 0.8701902426298832
Energy: 0.9149510917055452
Energy: 0.8701902426298832
Energy: 0.9149510917055452
Energy: 1.2812302772263913
Energy: 0.9484585647107889
Energy: 1.2812302772263913
Energy: 0.9484585647677387
Energy: 1.2812302772271043
Energy: 0.9484585647456455
Energy: 0.9888387526128384
Energy: 0.8449548266261669
Energy: 0.9888387526121257
Energy: 0.8449548266261669
Energy: 0.9888387526114131
Energy: 0.8449548266254542
Energy: 0.8405055840075306
Energy: 0.9458004802571058
Energy: 0.8405055840096685
Energy: 0.9458004802578186
Energy: 0.8405055840110939
Energy: 0.9458004802578186
Energy: 0.8039857806507218
Energy: 0.8366431295519448
Energy: 0.8039857806507218
Energy: 0.8366431295519448
Energy: 0.8039857806500091
Energy: 0.8366431295519448
Energy: 0.8614751993058997
Energy: 0.8965207845581189
Energy: 0.8614751993051869
Energy: 0.8965207845566935
Energy: 0.8614751993073251
Energy: 0.8965207845566935
Energy: 1.0515719397159358
Energy: 0.9568078949445851
Energy: 1.0515719397159358
Energy: 0.9568078949445851
Energy: 1.0515719397159358
Energy: 0.9568078949445851
Energy: 0.9576109596312546
Energy: 0.9110909607519576
Energy: 0.9576109596298292
Energy: 0.911090960751245
Energy: 0.9576109596312546
Energy: 0.9110909607519576
Energy: 0.8039707228472145
Energy: 0.8971870041766216
Energy: 0.8039707228479273
Energy: 0.8971870041794723
Energy: 0.8039707228479273
Energy: 0.8971870041873118
Energy: 1.44097669054485
Energy: 1.0032984829194702
Energy: 1.44097669054485
Energy: 1.0032984829201828
Energy: 1.44097669054485
Energy: 1.0032984829208955

minimum gb energy = 0.7810941545834733 eV
minimum distance =  2.29878917537987 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.0356688899157243
Energy: 0.9079543072721686
Energy: 1.0356688899157243
Energy: 0.907954307271607
Energy: 1.0356688899157243
Energy: 0.907954307271607
Energy: 1.1542412324611688
Energy: 0.957609677252744
Energy: 1.1542412324617306
Energy: 0.9576096772544292
Energy: 1.1542412324606073
Energy: 0.9576096772538675
Energy: 1.0160722002639575
Energy: 1.0594102463021295
Energy: 1.0160722002633957
Energy: 1.0594102463015675
Energy: 1.0160722002639575
Energy: 1.0594102463015675
Energy: 0.9620759392666175
Energy: 0.899699286120832
Energy: 0.962075939267741
Energy: 0.899699286120832
Energy: 0.9620759392666175
Energy: 0.899699286120832
Energy: 0.8672161495967632
Energy: 0.9456989338336732
Energy: 0.8672161495956398
Energy: 0.9456989338331115
Energy: 0.8672161495967632
Energy: 0.9456989338331115
Energy: 1.1270754608906022
Energy: 0.9661418541978044
Energy: 1.1270754608911637
Energy: 0.9661418541955575
Energy: 1.1270754608917255
Energy: 0.966141854194996
Energy: 0.8896185959299316
Energy: 1.235791161033624
Energy: 0.88961859592937
Energy: 1.2357911610308154
Energy: 0.8896185959299316
Energy: 1.2357911610325005
Energy: 0.8655490313721639
Energy: 0.8998344422363953
Energy: 0.8655490313716022
Energy: 0.8998344422363953
Energy: 0.8655490313716022
Energy: 0.8998344422363953
Energy: 0.8759354734381636
Energy: 0.9278487284855234
Energy: 0.8759354734381636
Energy: 0.9278487284849617
Energy: 0.8759354734381636
Energy: 0.9278487284855234
Energy: 0.9573530594139646
Energy: 0.9785612324859765
Energy: 0.9573530594139646
Energy: 0.978561232486538
Energy: 0.9573530594145264
Energy: 0.9785612324859765
Energy: 0.9529978945524571
Energy: 0.9814980766258398
Energy: 0.9529978945513337
Energy: 0.9814980766258398
Energy: 0.9529978945524571
Energy: 0.9814980766264015
Energy: 0.851859965423819
Energy: 1.059433871089809
Energy: 0.8518599654232575
Energy: 1.0594338710903708
Energy: 0.851859965423819
Energy: 1.0594338710892472
Energy: 0.8662041993770647
Energy: 0.8951131596070525
Energy: 0.8662041993776264
Energy: 0.895113159608176
Energy: 0.8662041993770647
Energy: 0.8951131596070525
Energy: 0.8340801670327355
Energy: 0.9800586986079424
Energy: 0.8340801670321737
Energy: 0.9800586986090657
Energy: 0.8340801670332971
Energy: 0.9800586986079424
Energy: 1.1294609383724799
Energy: 1.0992748486765538
Energy: 1.1294609383730418
Energy: 1.0992748486771156
Energy: 1.1294609383730418
Energy: 1.0992748486771156
Energy: 0.834094483158376
Energy: 1.0890046473313717
Energy: 0.834094483158376
Energy: 1.0890046473313717
Energy: 0.8340944831589376
Energy: 1.0890046473313717
Energy: 0.8740368000142597
Energy: 0.894828175354452
Energy: 0.8740368000136981
Energy: 0.8948281753533285
Energy: 0.8740368000142597
Energy: 0.894828175354452
Energy: 0.9048422279631024
Energy: 1.0588623886756274
Energy: 0.9048422279631024
Energy: 1.0588623886756274
Energy: 0.9048422279631024
Energy: 1.0588623886756274
Energy: 0.9781040697301452
Energy: 1.0848962563196223
Energy: 0.978104069736324
Energy: 1.0848962563196223
Energy: 0.9781040697318304
Energy: 1.0848962563196223
Energy: 0.9533366510532653
Energy: 1.0871524930374972
Energy: 0.9533366510532653
Energy: 0.8993141480743486
Energy: 0.9533366510538269
Energy: 0.8993141480765955
Energy: 0.8767870501305745
Energy: 0.9580988550293071
Energy: 0.8767870501305745
Energy: 0.9580988550231281
Energy: 0.8767870501305745
Energy: 0.9580988550270602
Energy: 0.9182335863111094
Energy: 1.2222606014775808
Energy: 0.9182335863111094
Energy: 1.2222606014787043
Energy: 0.9182335863116713
Energy: 1.2222606014775808
Energy: 0.9602889571379379
Energy: 0.8940541547571814
Energy: 0.9602889571379379
Energy: 0.8940541547571814
Energy: 0.9602889571379379
Energy: 0.8940541547571814
Energy: 0.8339379408860855
Energy: 1.1178565592277956
Energy: 0.8339379408860855
Energy: 1.0407255226133425
Energy: 0.8339379408855238
Energy: 1.0407255226122192
Energy: 0.840261395687655
Energy: 1.1112380580226437
Energy: 0.840261395687655
Energy: 1.1112380580232053
Energy: 0.840261395687655
Energy: 1.1112380580232053
Energy: 0.889000558134928
Energy: 0.8902812446594823
Energy: 0.889000558134928
Energy: 0.8902812446600439
Energy: 0.8890005581343663
Energy: 0.8902812446589204
Energy: 0.8695555022040659
Energy: 0.8942723320482091
Energy: 0.8695555022040659
Energy: 0.8942723320476474
Energy: 0.8695555022040659
Energy: 0.8942723320476474
Energy: 0.875491438942878
Energy: 0.9942232965571289
Energy: 0.875491438942878
Energy: 0.9518453480689166
Energy: 0.8754914389434398
Energy: 0.9518453480700401
Energy: 0.9530379609991346
Energy: 1.0988847049878019
Energy: 0.9530379609996964
Energy: 1.0988847049883634
Energy: 0.9530379609985729
Energy: 1.0988847049878019
Energy: 1.049502193927151
Energy: 0.8325635077800764
Energy: 1.0495021939260276
Energy: 0.8325635077800764
Energy: 1.049502193927151
Energy: 0.8325635077800764
Energy: 0.8528917665844714
Energy: 1.0642386841696476
Energy: 0.8528917665844714
Energy: 1.0642386841696476
Energy: 0.8528917665839095
Energy: 1.0642386841696476
Energy: 0.8905599098547359
Energy: 0.9240702402343651
Energy: 0.8905599098541741
Energy: 0.9240702402332417
Energy: 0.8905599098547359
Energy: 0.9240702402343651
Energy: 0.8396370355138879
Energy: 0.9169248059445868
Energy: 0.839637035513326
Energy: 0.9169248059434632
Energy: 0.8396370355138879
Energy: 0.9169248059434632

minimum gb energy = 0.8325635077800764 eV
minimum distance =  2.31625532281518 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.0273103917094177
Energy: 0.9261598414681864
Energy: 1.0273103917086293
Energy: 0.9261598414681864
Energy: 1.0273103917089876
Energy: 0.9261598414677564
Energy: 1.0471813864087316
Energy: 0.8883407254210705
Energy: 1.0471813864087316
Energy: 0.888340725420282
Energy: 1.04718138640909
Energy: 0.8883407254207119
Energy: 0.9580599596085467
Energy: 1.0812030948413252
Energy: 0.9580599596085467
Energy: 1.0812030948413252
Energy: 0.9580599596085467
Energy: 1.0812030948405367
Energy: 0.9535268451993201
Energy: 0.9116721234740973
Energy: 0.9535268451977432
Energy: 0.9116721234736673
Energy: 0.9535268451988902
Energy: 0.9116721234736673
Energy: 0.9516637305330308
Energy: 0.9630791097674879
Energy: 0.9516637305330308
Energy: 0.9630791097674879
Energy: 0.951663730533389
Energy: 0.9630791097697816
Energy: 1.2641772403324503
Energy: 0.9339250150738216
Energy: 1.2641772403328806
Energy: 0.9339250150746101
Energy: 1.2641772403313036
Energy: 0.9339250150738216
Energy: 0.9304180231502688
Energy: 1.0284793126853018
Energy: 0.9304180231502688
Energy: 1.0284793126857321
Energy: 0.9304180231502688
Energy: 1.0284793126849436
Energy: 0.9901804365344611
Energy: 0.9909033973244485
Energy: 0.9901804365333143
Energy: 0.9909033973255955
Energy: 0.9901804365336726
Energy: 0.990903397325237
Energy: 1.0773513612792758
Energy: 0.9557057686708728
Energy: 1.0773513612792758
Energy: 0.9557057686724496
Energy: 1.0773513612784873
Energy: 0.9557057686720195
Energy: 1.335391315068641
Energy: 0.9160820515366591
Energy: 1.3353913150689996
Energy: 0.9160820515370174
Energy: 1.335391315068641
Energy: 0.916082051536229
Energy: 0.9873722319770513
Energy: 0.9871941266924783
Energy: 0.9873722319770513
Energy: 0.9871941266924783
Energy: 0.9873722319770513
Energy: 0.9871941266924783
Energy: 0.9650097316019144
Energy: 0.9119809354851433
Energy: 0.9650097315971838
Energy: 0.9119809354851433
Energy: 0.9650097315999792
Energy: 0.9119809354847848
Energy: 0.9578129017107375
Energy: 1.0201757833712188
Energy: 0.9578129017099491
Energy: 1.0201757833727958
Energy: 0.9578129017099491
Energy: 1.020175783371649
Energy: 1.0067612424190868
Energy: 0.992066428438902
Energy: 1.0067612424194454
Energy: 0.992066428438902
Energy: 1.0067612424198753
Energy: 0.992066428438902
Energy: 0.9943624708174738
Energy: 0.9295659329322843
Energy: 0.9943624708166854
Energy: 0.9295659329327143
Energy: 0.9943624708166854
Energy: 0.9295659329319259
Energy: 0.9397407445883484
Energy: 1.0700546241661768
Energy: 0.9397407445879183
Energy: 1.0700546241638116
Energy: 0.9397407445883484
Energy: 1.070054624163023
Energy: 1.023222250285876
Energy: 0.9048142048707255
Energy: 1.0232222502823642
Energy: 0.9048142048707255
Energy: 1.0232222503410664
Energy: 0.904814204871084
Energy: 0.907031222607812
Energy: 0.9566034978355089
Energy: 0.907031222607812
Energy: 0.956603497835939
Energy: 0.9070312226074536
Energy: 0.9566034978355089
Energy: 1.083428499537937
Energy: 0.956227477496031
Energy: 1.0834284995343533
Energy: 0.9562274774964611
Energy: 1.0834284995382955
Energy: 0.9562274774948841
Energy: 1.0266833785944447
Energy: 0.9844747031656607
Energy: 1.0266833785936564
Energy: 0.9844747031660189
Energy: 1.0266833785932978
Energy: 0.9844747031660189
Energy: 0.9055557875143916
Energy: 1.0330364644325423
Energy: 0.9055557875140331
Energy: 1.0330364644325423
Energy: 0.9055557875104495
Energy: 1.0330364644329724
Energy: 0.8836959552679506
Energy: 1.050126115499545
Energy: 0.8836959552679506
Energy: 1.0501261154999748
Energy: 0.8836959552675923
Energy: 1.050126115498398
Energy: 0.9950668834779702
Energy: 0.8795925547552504
Energy: 0.9950668834775404
Energy: 0.8795925547544621
Energy: 0.9950668834783288
Energy: 0.8795925547552504
Energy: 0.91934040251295
Energy: 0.9527996350694202
Energy: 0.9193404025125917
Energy: 0.9527996350689901
Energy: 0.91934040251295
Energy: 0.9527996350694202
Energy: 0.96252274471972
Energy: 0.9046887913412741
Energy: 0.9625227447192899
Energy: 0.9046887913420625
Energy: 0.9625227447185015
Energy: 0.904688791340844
Energy: 0.9309704616591812
Energy: 1.2625907674257462
Energy: 0.9309704616603998
Energy: 1.2625907674261763
Energy: 0.9309704616596113
Energy: 1.2625907674245993
Energy: 1.046202356978402
Energy: 0.9330942587943389
Energy: 1.046202356978402
Energy: 0.9330942587943389
Energy: 1.0462023569787606
Energy: 0.9330942587939087
Energy: 0.9999814139027672
Energy: 0.9197905076908142
Energy: 0.9999814139031974
Energy: 0.9197905076904558
Energy: 0.9999814139024089
Energy: 0.9197905076912443
Energy: 0.9564745462624668
Energy: 1.0791269300021649
Energy: 0.9564745462621084
Energy: 1.0791269300021649
Energy: 0.9564745462632551
Energy: 1.0791269300037416
Energy: 0.9118186323706978
Energy: 1.333737618788045
Energy: 0.9118186323711278
Energy: 1.333737618788045
Energy: 0.9118186323719163
Energy: 1.3337376187888332
Energy: 0.9519046451631084
Energy: 0.9040470584804353
Energy: 0.9519046451643269
Energy: 0.9040470584832306
Energy: 0.9519046451651153
Energy: 0.9040470584804353
Energy: 0.9196934470669794
Energy: 0.9702863499649905
Energy: 0.9196934470669794
Energy: 0.9702863499645605
Energy: 0.9196934470674096
Energy: 0.9702863499645605
Energy: 1.0251985983354963
Energy: 0.9313637407276435
Energy: 1.0251985983342777
Energy: 0.9313637407276435
Energy: 1.0251985983347078
Energy: 0.9313637407272134
Energy: 0.9884211718286758
Energy: 0.999389011921115
Energy: 0.9884211718291058
Energy: 0.999389011921115
Energy: 0.9884211718291058
Energy: 0.9993890119206847
Energy: 0.9882978072903951
Energy: 0.9995434681226101
Energy: 0.9882978072900368
Energy: 0.9995434681230402
Energy: 0.9882978072903951
Energy: 0.9995434681226101
Energy: 1.0234431980485421
Energy: 0.9314001716584811
Energy: 1.0234431980489722
Energy: 0.9314001716584811
Energy: 1.0234431980489722
Energy: 0.9314001716589111
Energy: 0.919645788064807
Energy: 0.9664151592054139
Energy: 0.9196457880659538
Energy: 0.9664151592065607
Energy: 0.9196457880640185
Energy: 0.9664151592046255
Energy: 0.9521378995870042
Energy: 0.9044372999224948
Energy: 0.9521378995865741
Energy: 0.9044372999217063
Energy: 0.9521378995873626
Energy: 0.9044372999217063
Energy: 0.9118147248066394
Energy: 1.3335131617929372
Energy: 0.9118147248066394
Energy: 1.3335131617933673
Energy: 0.911814724805851
Energy: 1.3335131617929372
Energy: 0.9564809897440713
Energy: 1.079329279515272
Energy: 0.9564809897437127
Energy: 1.0793292795144835
Energy: 0.9564809897437127
Energy: 1.0793292795144835
Energy: 0.9999974334386853
Energy: 0.9195411212861305
Energy: 0.9999974334367502
Energy: 0.9195411212857721
Energy: 0.9999974334355317
Energy: 0.9195411212861305
Energy: 1.0461449578503543
Energy: 0.9330590694083928
Energy: 1.046144957851573
Energy: 0.9330590694083928
Energy: 1.0461449578511428
Energy: 0.9330590694088228
Energy: 0.9309141738619446
Energy: 1.2624262004565405
Energy: 0.930914173862733
Energy: 1.2624262004549638
Energy: 0.9309141738619446
Energy: 1.262426200457329
Energy: 0.9684967012267423
Energy: 0.9047415519995993
Energy: 0.9684967012251654
Energy: 0.9047415519995993
Energy: 0.9684967012255239
Energy: 0.9047415520000294
Energy: 0.9193140955514237
Energy: 0.9527204368096629
Energy: 0.9193140955514237
Energy: 0.9527204368088744
Energy: 0.9193140955509936
Energy: 0.9527204368088744
Energy: 0.9949059521513105
Energy: 0.8796098801752376
Energy: 0.9949059521528874
Energy: 0.8796098801748793
Energy: 0.9949059521513105
Energy: 0.8796098801744492
Energy: 0.8833408830747459
Energy: 1.0501152887647613
Energy: 0.8833408830747459
Energy: 1.050115288764403
Energy: 0.8833408830755344
Energy: 1.050115288764403

minimum gb energy = 0.8795925547544621 eV
minimum distance =  2.32141398649953 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.0537949808871545
Energy: 0.9638741828620456
Energy: 1.0537949808871545
Energy: 0.9638741828620456
Energy: 1.0537949808871545
Energy: 0.9638741828620456
Energy: 1.0190255023281547
Energy: 0.9149439969204091
Energy: 1.0190255023281547
Energy: 0.9149439969204091
Energy: 1.0190255023281547
Energy: 0.9149439969204091
Energy: 1.0236222765526934
Energy: 1.1678647848342596
Energy: 1.0236222765526934
Energy: 1.1678647848342596
Energy: 1.0236222765526934
Energy: 1.1678647848342596
Energy: 1.0190154087350223
Energy: 0.9149614246582775
Energy: 1.0190154087350223
Energy: 0.9149614246582775
Energy: 1.0190154087350223
Energy: 0.9149614246582775
Energy: 1.0537949808871545
Energy: 0.9638741828620456
Energy: 1.0537949808871545
Energy: 0.9638741828620456
Energy: 1.0537949808871545
Energy: 0.9638741828620456
Energy: 1.0190255023281547
Energy: 0.9149439969177745
Energy: 1.0190255023281547
Energy: 0.9149439969204091
Energy: 1.0190255023281547
Energy: 0.9149439969204091
Energy: 1.0236222765500589
Energy: 1.1678647848342596
Energy: 1.0236222765526934
Energy: 1.1678647848342596
Energy: 1.0236222765500589
Energy: 1.1678647848342596

minimum gb energy = 0.9149439969177745 eV
minimum distance =  2.33261540414913 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.2986830618843168
Energy: 1.1229135409896214
Energy: 1.2986830618843168
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Energy: 1.1701946113836525
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Energy: 1.234873888871127
Energy: 1.1249051781951411
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Energy: 1.0881678918317628
Energy: 1.1054272807993826
Energy: 1.0881678918353481
Energy: 1.1054272807993826
Energy: 1.0881678918317628
Energy: 1.1054272807993826
Energy: 1.1318799741702092
Energy: 1.099105986996197
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Energy: 1.1149232373560993
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Energy: 1.1149232373596847
Energy: 1.1141712159918844
Energy: 1.1843604386086832
Energy: 1.1716644000570373
Energy: 1.1843604386050979
Energy: 1.171664400053452
Energy: 1.1843604386086832
Energy: 1.1716644000570373
Energy: 1.157570298378614
Energy: 1.0689497261819625
Energy: 1.157570298378614
Energy: 1.0689497261819625
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Energy: 1.1764073375494066
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Energy: 1.1764073375494066
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Energy: 1.1138595825920867
Energy: 1.1142044661901933
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Energy: 1.1142044662045347
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Energy: 1.11420446620812
Energy: 1.1643902683436649
Energy: 1.1471685623404015
Energy: 1.1643902683436649
Energy: 1.1471685623404015
Energy: 1.1643902683436649
Energy: 1.1471685623368162
Energy: 1.0883008580706994
Energy: 1.153331089833634
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Energy: 1.153331089833634
Energy: 1.0883008580706994
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Energy: 1.1696178228622796
Energy: 1.1549387336078736
Energy: 1.1696178228551088
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Energy: 1.169617822858694
Energy: 1.1549387336078736
Energy: 1.0568004504314321
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Energy: 1.0647482996591668
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Energy: 1.1388903139605926
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Energy: 1.1388903139605926
Energy: 1.0470383823021132
Energy: 1.1388903139605926
Energy: 1.1879885605517893
Energy: 1.1550196642643555
Energy: 1.1879885605517893
Energy: 1.1550196642643555
Energy: 1.1879885605553748
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Energy: 1.0892528657983709
Energy: 1.1689807259047098
Energy: 1.0892528657983709
Energy: 1.1689807259082954
Energy: 1.0892528657983709
Energy: 1.1689807259082954
Energy: 1.1294452781030646
Energy: 1.143853901005953
Energy: 1.1294452781030646
Energy: 1.143853901005953
Energy: 1.1294452781030646
Energy: 1.143853901005953
Energy: 1.0758350008354087
Energy: 1.0312307012922872
Energy: 1.0758350008354087
Energy: 1.0312307012922872
Energy: 1.0758350008354087
Energy: 1.0312307012922872
Energy: 1.113552546246864
Energy: 1.059551855448438
Energy: 1.113552546243279
Energy: 1.059551855448438
Energy: 1.1135525462396934
Energy: 1.059551855448438
Energy: 1.1993302320135486
Energy: 1.1021306483826472
Energy: 1.199330232017134
Energy: 1.1021306483826472
Energy: 1.199330232017134
Energy: 1.1021306483826472
Energy: 1.19649134500852
Energy: 1.0739820673411062
Energy: 1.19649134500852
Energy: 1.0739820673411062
Energy: 1.19649134500852
Energy: 1.0739820673411062
Energy: 1.1155445813212168
Energy: 1.0578923973869263
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Energy: 1.0578923973869263
Energy: 1.1155445813212168
Energy: 1.0578923973869263
Energy: 1.1098217812946067
Energy: 1.0690242927335667
Energy: 1.1098217812946067
Energy: 1.0690242927371518
Energy: 1.1098217812946067
Energy: 1.0690242927371518
Energy: 1.158729196544419
Energy: 1.147363746884914
Energy: 1.158729196544419
Energy: 1.147363746884914
Energy: 1.158729196544419
Energy: 1.147363746884914
Energy: 1.117970078113133
Energy: 1.12417958659231
Energy: 1.117970078113133
Energy: 1.1241795865958955
Energy: 1.117970078113133
Energy: 1.12417958659231
Energy: 1.1706559446386602
Energy: 1.151515748538287
Energy: 1.1706559446386602
Energy: 1.151515748538287
Energy: 1.1706559446386602
Energy: 1.151515748538287
Energy: 1.047409831523563
Energy: 1.1890088158613366
Energy: 1.047409831523563
Energy: 1.1890088158613366
Energy: 1.0474098315199776
Energy: 1.1890088158613366
Energy: 1.1782545415785277
Energy: 1.0998462339779336
Energy: 1.1782545415785277
Energy: 1.0998462339779336
Energy: 1.1782545415785277
Energy: 1.0998462339744133
Energy: 1.0519566668227303
Energy: 1.203010475851457
Energy: 1.0519566668227303
Energy: 1.203010475851457
Energy: 1.0519566668227303
Energy: 1.203010475851457
Energy: 1.1947281351451653
Energy: 1.1521422766015512
Energy: 1.194728135137995
Energy: 1.1521422765979659
Energy: 1.194728135137995
Energy: 1.1521422765979659
Energy: 1.0908608230152432
Energy: 1.2188055683905388
Energy: 1.0908608230152432
Energy: 1.2188055683941241
Energy: 1.0908608230152432
Energy: 1.2188055683905388
Energy: 1.260417437590217
Energy: 1.0387932353447937
Energy: 1.260417437590217
Energy: 1.0387932353447937
Energy: 1.260417437590217
Energy: 1.0387932353447937
Energy: 1.0638952016832026
Energy: 1.1145874349324978
Energy: 1.0638952016832026
Energy: 1.1145874349324978
Energy: 1.0638952016832026
Energy: 1.1145874349324978
Energy: 1.1873063923311773
Energy: 1.0582864421079112
Energy: 1.1873063923347627
Energy: 1.0582864421079112
Energy: 1.1873063923347627
Energy: 1.0582864421079112
Energy: 1.158212074340273
Energy: 1.1721853457605038
Energy: 1.158212074340273
Energy: 1.172185345753333
Energy: 1.1582120743366877
Energy: 1.172185345764089
Energy: 1.250671974113335
Energy: 1.0683285226924804
Energy: 1.250671974113335
Energy: 1.068328522696066
Energy: 1.250671974113335
Energy: 1.068328522696066
Energy: 1.1055172930647819
Energy: 1.1403159784043249
Energy: 1.1055172930647819
Energy: 1.1403159784079104
Energy: 1.1055172930647819
Energy: 1.1403159784043249
Energy: 1.1567511026764727
Energy: 1.0685826446300168
Energy: 1.1567511026764727
Energy: 1.0685826446300168
Energy: 1.1567511026764727
Energy: 1.0685826446300168
Energy: 1.0907141749922684
Energy: 1.1573191449165205
Energy: 1.0907141749922684
Energy: 1.1573191449165205
Energy: 1.0907141749922684
Energy: 1.1573191449165205
Energy: 1.1665755047053543
Energy: 1.1272410363720644
Energy: 1.1665755047053543
Energy: 1.1272410363720644
Energy: 1.1665755047053543
Energy: 1.1272410363720644
Energy: 1.0994093133766032
Energy: 1.151131595952485
Energy: 1.0994093133766032
Energy: 1.151131595952485
Energy: 1.0994093133766032
Energy: 1.151131595952485

minimum gb energy = 1.0312307012922872 eV
minimum distance =  2.26959096981642 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.2108821360664652
Energy: 1.1375586746661237
Energy: 1.2108821360664652
Energy: 1.1375586746656319
Energy: 1.2108821360664652
Energy: 1.1375586746656319
Energy: 1.0962297346298886
Energy: 1.0613068775994803
Energy: 1.0962297346303806
Energy: 1.061306877598496
Energy: 1.0962297346298886
Energy: 1.061306877598988
Energy: 1.2293817950312467
Energy: 1.016100696345123
Energy: 1.2293817950312467
Energy: 1.0161006963436467
Energy: 1.2293817950307544
Energy: 1.0161006963446308
Energy: 1.10536782552639
Energy: 1.1320494159544554
Energy: 1.105367825526882
Energy: 1.1320494159544554
Energy: 1.10536782552639
Energy: 1.1320494159539634
Energy: 1.1160576985388817
Energy: 1.0462736042238163
Energy: 1.1160576985388817
Energy: 1.0462736042233243
Energy: 1.1160576985383894
Energy: 1.0462736042233243
Energy: 1.0621796120077556
Energy: 1.0162815471267133
Energy: 1.0621796120082476
Energy: 1.0162815471267133
Energy: 1.0621796120077556
Energy: 1.016281547127205
Energy: 1.0104722150412653
Energy: 1.016010180564641
Energy: 1.010472215040773
Energy: 1.0160101805641493
Energy: 1.010472215040281
Energy: 1.0160101805641493
Energy: 1.1121291555897928
Energy: 1.1022916186594336
Energy: 1.1121291555897928
Energy: 1.1022916186604177
Energy: 1.1121291555897928
Energy: 1.1022916186584493
Energy: 1.224907304758648
Energy: 1.1688358264439385
Energy: 1.224907304758156
Energy: 1.1688358264429544
Energy: 1.224907304758648
Energy: 1.1688358264429544
Energy: 1.1472079994871214
Energy: 1.2150265740707678
Energy: 1.1472079994871214
Energy: 1.2150265740727362
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Energy: 1.2150265740727362
Energy: 1.0994139512195824
Energy: 1.0511431512630052
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Energy: 1.0511431512630052
Energy: 1.0994139512200742
Energy: 1.0511431512630052
Energy: 1.015831580089021
Energy: 1.0552575685787209
Energy: 1.0158315800895132
Energy: 1.055257568579213
Energy: 1.0158315800895132
Energy: 1.055257568579213
Energy: 1.0932306571776023
Energy: 1.1215597193844797
Energy: 1.09323065717711
Energy: 1.1215597193844797
Energy: 1.0932306571776023
Energy: 1.1215597193849718
Energy: 1.1811219991226927
Energy: 1.0172691803828668
Energy: 1.1811219991231847
Energy: 1.0172691803828668
Energy: 1.1811219991226927
Energy: 1.0172691803828668
Energy: 1.2081713969019197
Energy: 0.9972845502313261
Energy: 1.2081713969019197
Energy: 0.9972845502313261
Energy: 1.2081713969019197
Energy: 0.9972845502313261
Energy: 1.1121387099022821
Energy: 1.0202011041932308
Energy: 1.1121387099012983
Energy: 1.0202011041932308
Energy: 1.1121387099022821
Energy: 1.0202011041932308
Energy: 1.1672710548995808
Energy: 1.0177036686241112
Energy: 1.1672710548995808
Energy: 1.0177036686236192
Energy: 1.167271054900073
Energy: 1.0177036686241112
Energy: 1.0239863321088616
Energy: 1.1872004520867792
Energy: 1.0239863321088616
Energy: 1.1872004520867792
Energy: 1.0239863321088616
Energy: 1.1872004520867792
Energy: 1.0199316296218335
Energy: 1.1535686806513712
Energy: 1.0199316296218335
Energy: 1.1535686806523553
Energy: 1.0199316296218335
Energy: 1.1535686806523553
Energy: 1.1326667350657753
Energy: 1.2505902570715843
Energy: 1.1326667350657753
Energy: 1.2505902570720762
Energy: 1.1326667350657753
Energy: 1.250590257071092
Energy: 1.0461081941649288
Energy: 1.1209338448859791
Energy: 1.046108194165421
Energy: 1.1209338448859791
Energy: 1.046108194165913
Energy: 1.1209338448854869
Energy: 1.085614209726011
Energy: 1.055244687261039
Energy: 1.085614209725519
Energy: 1.0552446872620231
Energy: 1.085614209725519
Energy: 1.055244687261531
Energy: 1.0854415669459578
Energy: 0.9897466284136949
Energy: 1.0854415669444817
Energy: 0.9897466284136949
Energy: 1.0854415669459578
Energy: 0.9897466284146791
Energy: 1.0926007154754587
Energy: 1.112399011390993
Energy: 1.0926007154749668
Energy: 1.112399011390993
Energy: 1.0926007154749668
Energy: 1.1123990113905011
Energy: 1.1680301961483313
Energy: 1.2228357519423583
Energy: 1.1680301961483313
Energy: 1.222835751941866
Energy: 1.1680301961493154
Energy: 1.222835751941866
Energy: 1.0204910560764608
Energy: 1.327172361071015
Energy: 1.020491056077445
Energy: 1.3271723610715072
Energy: 1.0204910560784293
Energy: 1.327172361071015
Energy: 1.0231740140537269
Energy: 1.1097857027720457
Energy: 1.0231740140537269
Energy: 1.1097857027720457
Energy: 1.0231740140537269
Energy: 1.1097857027720457
Energy: 1.0573972727395504
Energy: 1.0171238675997571
Energy: 1.0573972727390584
Energy: 1.0171238675997571
Energy: 1.0573972727400425
Energy: 1.0171238675997571
Energy: 1.059094587676839
Energy: 1.0937986085759464
Energy: 1.059094587677331
Energy: 1.0937986085754543
Energy: 1.059094587676839
Energy: 1.0937986085754543
Energy: 1.0164186385462688
Energy: 0.9986708376269217
Energy: 1.0164186385457767
Energy: 0.9986708376274137
Energy: 1.0164186385443006
Energy: 0.9986708376274137
Energy: 1.1319431263720405
Energy: 1.2086786447455788
Energy: 1.1319431263710562
Energy: 1.208678644746563
Energy: 1.1319431263720405
Energy: 1.2086786447504996
Energy: 1.0202762892559458
Energy: 1.1125584074421895
Energy: 1.020276289255454
Energy: 1.1125584074426818
Energy: 1.0202762892549617
Energy: 1.1125584074421895
Energy: 1.0158918183420005
Energy: 1.0639754512390582
Energy: 1.0158918183405243
Energy: 1.0639754512341375
Energy: 1.0158918183420005
Energy: 1.0639754512346296
Energy: 1.0197559368504518
Energy: 1.009052674232633
Energy: 1.0197559368509441
Energy: 1.0090526742321408
Energy: 1.0197559368509441
Energy: 1.009052674232633
Energy: 1.0760167650448018
Energy: 1.3880496738417973
Energy: 1.0760167650452939
Energy: 1.3880496738417973
Energy: 1.0760167650443098
Energy: 1.3880496738417973
Energy: 1.2512390687245365
Energy: 1.1327445582345532
Energy: 1.2512390687240444
Energy: 1.132744558234061
Energy: 1.2512390687240444
Energy: 1.132744558234061
Energy: 1.0589400028892437
Energy: 1.0483767320516433
Energy: 1.0589400028897358
Energy: 1.0483767320511514
Energy: 1.0589400028892437
Energy: 1.0483767320516433
Energy: 1.0516747658023757
Energy: 1.0160124108999218
Energy: 1.0516747658028678
Energy: 1.0160124108999218
Energy: 1.0516747658018837
Energy: 1.0160124108999218

minimum gb energy = 0.9897466284136949 eV
minimum distance =  2.3642562102423 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.3363319232023525
Energy: 1.0757295809324923
Energy: 1.3363319232023525
Energy: 1.0757295809324923
Energy: 1.3363319232023525
Energy: 1.0757295809324923
Energy: 1.1505430057876633
Energy: 1.0507347454231815
Energy: 1.1505430057882677
Energy: 1.0507347454231815
Energy: 1.1505430057882677
Energy: 1.0507347454237856
Energy: 1.2088093463596645
Energy: 1.2832749088070974
Energy: 1.2088093463596645
Energy: 1.283274908806493
Energy: 1.2088093463596645
Energy: 1.283274908806493
Energy: 1.0546905496497376
Energy: 1.0806306561096266
Energy: 1.0546905496491334
Energy: 1.0806306561096266
Energy: 1.0546905496497376
Energy: 1.0806306561096266
Energy: 1.1581092284283705
Energy: 1.1297771606744993
Energy: 1.1581092284283705
Energy: 1.1297771606751035
Energy: 1.1581092284283705
Energy: 1.1297771606751035
Energy: 1.0848748839776083
Energy: 1.1286729260738553
Energy: 1.0848748839776083
Energy: 1.128672926073251
Energy: 1.0848748839776083
Energy: 1.1286729260738553
Energy: 1.1577477626016583
Energy: 1.208191826986002
Energy: 1.1577477626010542
Energy: 1.208191826986002
Energy: 1.1577477626016583
Energy: 1.208191826986002
Energy: 1.09995964463784
Energy: 1.1321243141427082
Energy: 1.09995964463784
Energy: 1.1321243141427082
Energy: 1.09995964463784
Energy: 1.1321243141427082
Energy: 1.238606269034351
Energy: 1.0254785762849241
Energy: 1.238606269034351
Energy: 1.0254785762849241
Energy: 1.238606269034351
Energy: 1.0254785762849241
Energy: 1.071623766283188
Energy: 1.1352914502454394
Energy: 1.071623766283188
Energy: 1.135291450246044
Energy: 1.071623766283188
Energy: 1.1352914502466485
Energy: 1.0848527913758326
Energy: 1.0542042543474612
Energy: 1.084852791376437
Energy: 1.0542042543474612
Energy: 1.0848527913770416
Energy: 1.0542042543486698
Energy: 1.099972437772546
Energy: 1.1076970587785129
Energy: 1.099972437772546
Energy: 1.1076970587785129
Energy: 1.0999724377731501
Energy: 1.1076970587785129
Energy: 1.191640042059957
Energy: 1.1285443799062993
Energy: 1.1916400420593527
Energy: 1.1285443799062993
Energy: 1.1916400420593527
Energy: 1.1285443799062993
Energy: 1.019809189995839
Energy: 1.2582573872101375
Energy: 1.0198091899964432
Energy: 1.2582573872101375
Energy: 1.0198091899970478
Energy: 1.2582573872101375
Energy: 1.0846068552762231
Energy: 1.131336445103235
Energy: 1.0846068552762231
Energy: 1.131336445103235
Energy: 1.0846068552756187
Energy: 1.1313364451038397
Energy: 1.1070413238648045
Energy: 1.1697422380791134
Energy: 1.1070413238642
Energy: 1.1697422380791134
Energy: 1.1070413238648045
Energy: 1.1697422380791134
Energy: 1.175692957298069
Energy: 1.049847446691906
Energy: 1.1756929572986736
Energy: 1.049847446691906
Energy: 1.175692957298069
Energy: 1.0498474466925105
Energy: 1.2211374485429682
Energy: 1.1011413062330513
Energy: 1.2211374485429682
Energy: 1.1011413062330513
Energy: 1.2211374485429682
Energy: 1.1011413062330513
Energy: 1.219391451732107
Energy: 1.080732826105427
Energy: 1.219391451732107
Energy: 1.080732826105427
Energy: 1.2193914517327114
Energy: 1.080732826105427
Energy: 1.1768003169969343
Energy: 1.0510900530692027
Energy: 1.1768003169975385
Energy: 1.0510900530692027
Energy: 1.1768003169981431
Energy: 1.0510900530692027
Energy: 1.106846323640849
Energy: 1.141949757783905
Energy: 1.106846323640849
Energy: 1.141949757783905
Energy: 1.106846323640849
Energy: 1.141949757783905
Energy: 1.2210497588028304
Energy: 1.1361302173062517
Energy: 1.2210497588010172
Energy: 1.1361302173056473
Energy: 1.2210497587992037
Energy: 1.1361302173062517
Energy: 1.0200341464359663
Energy: 1.178139866564826
Energy: 1.0200341464359663
Energy: 1.178139866564826
Energy: 1.0200341464365705
Energy: 1.178139866564826
Energy: 1.192505446325986
Energy: 1.128372717428145
Energy: 1.192505446325382
Energy: 1.1283727174275406
Energy: 1.192505446325986
Energy: 1.128372717428145
Energy: 1.099998579905399
Energy: 1.0788687065112188
Energy: 1.099998579905399
Energy: 1.0788687065112188
Energy: 1.099998579905399
Energy: 1.0788687065112188
Energy: 1.221368286223944
Energy: 1.1273215453683276
Energy: 1.221368286223944
Energy: 1.127321545368932
Energy: 1.221368286223944
Energy: 1.127321545368932
Energy: 1.1179972867679848
Energy: 1.0506588781107629
Energy: 1.1179972867685892
Energy: 1.0506588781107629
Energy: 1.117997286769798
Energy: 1.0506588781113675
Energy: 1.157279811441352
Energy: 1.026004189954036
Energy: 1.1572798114401432
Energy: 1.026004189954036
Energy: 1.1572798114407477
Energy: 1.026004189954036
Energy: 1.100343485419852
Energy: 1.1317543850390546
Energy: 1.100343485419852
Energy: 1.1317543850390546
Energy: 1.100343485419852
Energy: 1.1317543850390546
Energy: 1.147408837803904
Energy: 1.1571713708713887
Energy: 1.147408837803904
Energy: 1.157171370871993
Energy: 1.1474088378032996
Energy: 1.157171370871993
Energy: 1.0845670827294798
Energy: 1.1286662509011383
Energy: 1.0845670827294798
Energy: 1.1286662509005339
Energy: 1.0845670827300842
Energy: 1.1286662509005339

minimum gb energy = 1.019809189995839 eV
minimum distance =  2.31363900438712 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.2173765848225444
Energy: 1.0452925630606604
Energy: 1.2173765848225444
Energy: 1.0452925630606604
Energy: 1.2173765848225444
Energy: 1.0452925630606604
Energy: 1.1040974160662969
Energy: 0.987669283878587
Energy: 1.1040974160662969
Energy: 0.987669283878587
Energy: 1.1040974160655144
Energy: 0.987669283878587
Energy: 1.117570016640304
Energy: 1.2320089895836044
Energy: 1.1175700166395217
Energy: 1.2320089895836044
Energy: 1.117570016640304
Energy: 1.2320089895836044
Energy: 1.1142850559212072
Energy: 1.1263996605727578
Energy: 1.1142850559212072
Energy: 1.1263996605727578
Energy: 1.1142850559212072
Energy: 1.1263996605751057
Energy: 1.0884942954571186
Energy: 1.1247663153322167
Energy: 1.0884942954610315
Energy: 1.1247663153322167
Energy: 1.0884942954618142
Energy: 1.1247663153322167
Energy: 1.1208439516954465
Energy: 1.0996858938471479
Energy: 1.1208439516954465
Energy: 1.0996858938471479
Energy: 1.1208439516962292
Energy: 1.0996858938471479
Energy: 1.1172499048543814
Energy: 1.2044230537103002
Energy: 1.1172499048535987
Energy: 1.2044230537103002
Energy: 1.1172499048543814
Energy: 1.2044230537103002
Energy: 1.1142009874809204
Energy: 1.0468698331724513
Energy: 1.1142009874809204
Energy: 1.0468698331732338
Energy: 1.1142009874809204
Energy: 1.0468698331724513
Energy: 1.0856951394353311
Energy: 0.9867044486531235
Energy: 1.0856951394353311
Energy: 0.9867044486531235
Energy: 1.0856951394353311
Energy: 0.9867044486531235
Energy: 0.9695061347606118
Energy: 1.0995136939670753
Energy: 0.9695061347606118
Energy: 1.0995136939670753
Energy: 0.9695061347606118
Energy: 1.0995136939670753
Energy: 1.117204158645411
Energy: 1.1266601830552798
Energy: 1.117204158645411
Energy: 1.1266601830552798
Energy: 1.1172041586446284
Energy: 1.1266601830552798
Energy: 1.0900511974388492
Energy: 1.1713004879458058
Energy: 1.0900511974388492
Energy: 1.1713004879465885
Energy: 1.0900511974388492
Energy: 1.1713004879465885
Energy: 1.1252098206027303
Energy: 0.9878965575024801
Energy: 1.1252098206035133
Energy: 0.9878965575024801
Energy: 1.1252098206027303
Energy: 0.9878965575040454
Energy: 1.113086416883913
Energy: 0.9964280885951698
Energy: 1.1130864168886088
Energy: 0.9964280885959523
Energy: 1.1130864168541739
Energy: 0.9964280885959523
Energy: 1.0764833703033208
Energy: 0.993744560779013
Energy: 1.076483370302538
Energy: 0.993744560779013
Energy: 1.076483370302538
Energy: 0.993744560779013
Energy: 1.0843776394566187
Energy: 1.091443952645604
Energy: 1.0843776394574014
Energy: 1.091443952645604
Energy: 1.0843776394566187
Energy: 1.0914439526463868
Energy: 0.9733858815932401
Energy: 1.1034703007996036
Energy: 0.9733858815924575
Energy: 1.1034703007996036
Energy: 0.9733858815940228
Energy: 1.1034703007996036
Energy: 1.1133709941410228
Energy: 1.18122139473407
Energy: 1.1133709941418057
Energy: 1.118138074351758
Energy: 1.1133709941410228
Energy: 1.1181380743541056
Energy: 0.9735827788843047
Energy: 1.1035895422574764
Energy: 0.9735827788835222
Energy: 1.1035895422574764
Energy: 0.9735827788843047
Energy: 1.1035895422574764
Energy: 1.084419653813042
Energy: 1.0914482423125385
Energy: 1.084419653813042
Energy: 1.0914482423125385
Energy: 1.084419653813042
Energy: 1.091448242311756
Energy: 1.0765870116787404
Energy: 0.9937541044097393
Energy: 1.076587011679523
Energy: 0.9937541044097393
Energy: 1.0765870116787404
Energy: 0.9937541044097393
Energy: 1.113783090617289
Energy: 1.1191188975393942
Energy: 1.1137830906391668
Energy: 1.1191188975409594
Energy: 1.1137830906477755
Energy: 1.1191188975393942
Energy: 1.125524785096661
Energy: 0.9876601386651667
Energy: 1.1255247850974437
Energy: 0.987660138666732
Energy: 1.125524785096661
Energy: 0.9876601386651667
Energy: 1.0900582195455188
Energy: 1.170754506314157
Energy: 1.0900582195455188
Energy: 1.1707545063149394
Energy: 1.0900582195455188
Energy: 1.170754506315722

minimum gb energy = 0.9695061347606118 eV
minimum distance =  2.31819900943914 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.1593365535284368
Energy: 1.0280049751567055
Energy: 1.1593365535273301
Energy: 1.0280049751555986
Energy: 1.1593365535284368
Energy: 1.0280049751555986
Energy: 0.9814700616857407
Energy: 0.9734803943391767
Energy: 0.9814700616857407
Energy: 0.9734803943391767
Energy: 0.9814700616857407
Energy: 0.9734803943391767
Energy: 1.0857280210924303
Energy: 1.1666980837867036
Energy: 1.0857280210924303
Energy: 1.1666980837855971
Energy: 1.0857280210924303
Energy: 1.1666980837855971
Energy: 0.9138865632408676
Energy: 1.103477642535499
Energy: 0.9138865632408676
Energy: 1.103477642535499
Energy: 0.9138865632408676
Energy: 1.103477642535499
Energy: 1.0320431091814966
Energy: 1.0647007930185364
Energy: 1.0320431091826032
Energy: 1.0647007930196433
Energy: 1.0320431091859237
Energy: 1.0647007930185364
Energy: 1.0146868012872552
Energy: 1.1162367143709069
Energy: 1.0146868012883619
Energy: 1.1162367143709069
Energy: 1.0146868012883619
Energy: 1.1162367143709069
Energy: 1.0596666009660907
Energy: 0.9742479276173028
Energy: 1.0596666009660907
Energy: 0.9742479276173028
Energy: 1.0596666009660907
Energy: 0.9742479276173028
Energy: 0.9139600421363493
Energy: 1.095444567802485
Energy: 0.9139600421363493
Energy: 1.0954445678013782
Energy: 0.9139600421363493
Energy: 1.0954445678002713
Energy: 1.0598332495176472
Energy: 0.9728863761429215
Energy: 1.0598332495176472
Energy: 0.9728863761440283
Energy: 1.0598332495176472
Energy: 0.9728863761429215
Energy: 1.0519090710015289
Energy: 0.9838004885340381
Energy: 1.0519090710015289
Energy: 0.9838004885340381
Energy: 1.0519090710015289
Energy: 0.9838004885340381
Energy: 1.0345686220500185
Energy: 1.0962847890972998
Energy: 1.0345686220500185
Energy: 1.0962847890984067
Energy: 1.0345686220500185
Energy: 1.0962847890984067
Energy: 1.0315623610666786
Energy: 0.9735609934604982
Energy: 1.0315623610655718
Energy: 0.9735609934604982
Energy: 1.0315623610666786
Energy: 0.9735609934604982
Energy: 0.9127525468080605
Energy: 1.1149382406904604
Energy: 0.9127525468102738
Energy: 1.1149382406904604
Energy: 0.9127525468091671
Energy: 1.1149382406904604
Energy: 1.0513162115109826
Energy: 1.0689856846371721
Energy: 1.0513162115109826
Energy: 1.0689856846360655
Energy: 1.0513162115098758
Energy: 1.0689856846371721
Energy: 1.0133319647092185
Energy: 0.980155153920671
Energy: 1.0133319647092185
Energy: 0.9801551539195641
Energy: 1.0133319647092185
Energy: 0.980155153920671
Energy: 1.0135381614350945
Energy: 1.1153326287900025
Energy: 1.0135381614339878
Energy: 1.1153326287900025
Energy: 1.0135381614350945
Energy: 1.115332628788896
Energy: 1.0490998285738602
Energy: 1.0694002339727269
Energy: 1.0490998285738602
Energy: 1.0694002339727269
Energy: 1.0490998285738602
Energy: 1.0694002339727269

minimum gb energy = 0.9127525468080605 eV
minimum distance =  2.28541932587069 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.0567605518542882
Energy: 0.9373923237394404
Energy: 1.0567605518542882
Energy: 0.9373923237390129
Energy: 1.0567605518547158
Energy: 0.9373923237398676
Energy: 0.9455346398200605
Energy: 0.9069541320030863
Energy: 0.945534639826044
Energy: 0.9069541320026588
Energy: 0.9455346398234797
Energy: 0.9069541320022314
Energy: 1.0158155201698023
Energy: 0.9777799036330912
Energy: 1.0158155201698023
Energy: 0.9777799036326636
Energy: 1.0158155201698023
Energy: 0.9777799036326636
Energy: 0.8669536484475827
Energy: 0.984856737503477
Energy: 0.8669536484475827
Energy: 0.9848567375030496
Energy: 0.8669536484484376
Energy: 0.9848567375026221
Energy: 1.0544459089153315
Energy: 0.8965936428184309
Energy: 1.0544459089149043
Energy: 0.8965936428184309
Energy: 1.0544459089149043
Energy: 0.8965936428201405
Energy: 0.9659250777192995
Energy: 0.9855719668084352
Energy: 0.9659250777188721
Energy: 0.98557196680929
Energy: 0.9659250777188721
Energy: 0.9855719668084352
Energy: 0.9513368436368544
Energy: 0.9199582770775624
Energy: 0.9513368436368544
Energy: 0.9199582770801268
Energy: 0.9513368436364269
Energy: 0.9199582770779897
Energy: 0.9416948558472527
Energy: 1.0394865036005676
Energy: 0.9416948558489621
Energy: 1.0394865036005676
Energy: 0.9416948558472527
Energy: 1.0394865036005676
Energy: 0.9600055794784806
Energy: 1.0046363036538504
Energy: 0.9600055794784806
Energy: 1.004636303654278
Energy: 0.9600055794776258
Energy: 1.004636303654278
Energy: 0.94911652491586
Energy: 0.8469446057010181
Energy: 0.9491165249154326
Energy: 0.8469446057005907
Energy: 0.94911652491586
Energy: 0.8469446057010181
Energy: 0.8683401964478765
Energy: 1.0206667172210067
Energy: 0.8683401964487313
Energy: 1.0206667172214343
Energy: 0.8683401964478765
Energy: 1.0206667172210067
Energy: 1.0188579753516631
Energy: 0.9230911664029159
Energy: 1.0188579753520903
Energy: 0.9230911664033433
Energy: 1.0188579753520903
Energy: 0.9230911664029159
Energy: 0.9689837558347565
Energy: 0.9256837269884828
Energy: 0.9689837558343289
Energy: 0.9256837269880555
Energy: 0.9689837558343289
Energy: 0.9256837269880555
Energy: 0.9520079584640269
Energy: 1.019552658857547
Energy: 0.9520079584644542
Energy: 1.019552658857547
Energy: 0.9520079584635993
Energy: 1.019552658857547
Energy: 0.9794275142386926
Energy: 0.9227230806781976
Energy: 0.97942751423912
Energy: 0.92272308067439
Energy: 0.9794275142395473
Energy: 0.9227230806816169
Energy: 0.8666870107312398
Energy: 0.9914473653198543
Energy: 0.8666870107312398
Energy: 0.9914473653198543
Energy: 0.8666870107308123
Energy: 0.9914473653198543
Energy: 0.9682167499771572
Energy: 0.9530183573950284
Energy: 0.9682167499784394
Energy: 0.9530183573946011
Energy: 0.9682167499784394
Energy: 0.9530183573946011
Energy: 0.9740636330559413
Energy: 1.0031651295010904
Energy: 0.9740636330563688
Energy: 1.0031651295023727
Energy: 0.9740636330559413
Energy: 1.003165129501518
Energy: 0.9425634636355258
Energy: 0.989119492291176
Energy: 0.9425634636350986
Energy: 0.9891194922903213
Energy: 0.9425634636338163
Energy: 0.9891194922907486
Energy: 0.9671535824370514
Energy: 0.8448754561729946
Energy: 0.9671535824370514
Energy: 0.8448754561729946
Energy: 0.9671535824374787
Energy: 0.8448754561729946
Energy: 0.9427312820731663
Energy: 0.9924427336863804
Energy: 0.9427312820731663
Energy: 0.9924427336906543
Energy: 0.9427312820731663
Energy: 0.9924427336910816
Energy: 0.9736473846264146
Energy: 1.003128697417906
Energy: 0.9736473846264146
Energy: 1.0031286974174782
Energy: 0.9736473846259873
Energy: 1.003128697417051
Energy: 0.9684820235310684
Energy: 0.9530933199837471
Energy: 0.968482023530641
Energy: 0.9530933199837471
Energy: 0.9684820235310684
Energy: 0.9530933199837471
Energy: 0.8666895097063624
Energy: 1.0596848078629715
Energy: 0.8666895097063624
Energy: 1.059684807860407
Energy: 0.8666895097063624
Energy: 1.059684807860407
Energy: 0.9804548629506071
Energy: 0.92337631229716
Energy: 0.9804548629510346
Energy: 0.92337631229716
Energy: 0.9804548629523168
Energy: 0.9233763122975873
Energy: 0.9519543594207667
Energy: 1.019540237477215
Energy: 0.9519543594211941
Energy: 1.0195402374776423
Energy: 0.9519543594203392
Energy: 1.0195402374780695
Energy: 0.969227819539957
Energy: 0.9251024219301701
Energy: 0.969227819539957
Energy: 0.9251024219305976
Energy: 0.969227819539957
Energy: 0.9251024219305976
Energy: 1.0188818363547394
Energy: 0.922986191392387
Energy: 1.018881836355167
Energy: 0.9229861913911047
Energy: 1.018881836355167
Energy: 0.9229861913906774
Energy: 0.8683112254705193
Energy: 1.0201280130401131
Energy: 0.8683112254709467
Energy: 1.020128013045242
Energy: 0.8683112254709467
Energy: 1.0201280130405406
Energy: 0.9492292139794372
Energy: 0.8474181350390435
Energy: 0.9492292139790097
Energy: 0.8474181350390435
Energy: 0.9492292139790097
Energy: 0.8474181350390435
Energy: 0.9602148383388407
Energy: 1.004830027026192
Energy: 0.9602148383396955
Energy: 1.0048300270257648
Energy: 0.9602148383388407
Energy: 1.0048300270266195
Energy: 0.9419705068058488
Energy: 1.0362823773824688
Energy: 0.9419705068071311
Energy: 1.0362823773807592
Energy: 0.9419705068075584
Energy: 1.036282377379477
Energy: 0.9505142289175724
Energy: 0.9202202137803367
Energy: 0.9505142289179999
Energy: 0.9202202137799095
Energy: 0.9505142289184273
Energy: 0.9202202137794819
Energy: 0.9659271650239133
Energy: 0.9134857087150092
Energy: 0.9659271650239133
Energy: 0.9134857087145818
Energy: 0.9659271650239133
Energy: 0.9134857087145818
Energy: 1.0543900861488018
Energy: 0.8962282902964978
Energy: 1.0543900861488018
Energy: 0.8962282902960703
Energy: 1.0543900861488018
Energy: 0.8962282902960703
Energy: 0.8668434483222109
Energy: 0.9748502837592838
Energy: 0.8668434483226382
Energy: 0.9748502837588564
Energy: 0.8668434483222109
Energy: 0.9748502837584291
Energy: 1.0160450523863764
Energy: 0.9781050808980227
Energy: 1.0160450523863764
Energy: 0.9781050808980227
Energy: 1.0160450523868039
Energy: 0.9781050808980227
Energy: 0.9453299825228505
Energy: 0.8980976153047561
Energy: 0.9453299825215683
Energy: 0.8980976153043287
Energy: 0.9453299825215683
Energy: 0.8980976153043287
Energy: 1.0567605518542882
Energy: 0.9373923237394404
Energy: 1.0567605518542882
Energy: 0.9373923237398676
Energy: 1.0567605518547158
Energy: 0.9373923237398676
Energy: 0.9455346398234797
Energy: 0.9069541320035136
Energy: 0.9455346398243344
Energy: 0.9069541320030863
Energy: 0.945534639823907
Energy: 0.9069541320030863
Energy: 1.0158155201698023
Energy: 0.9777799036335185
Energy: 1.015815520169375
Energy: 0.977779903633946
Energy: 1.0158155201698023
Energy: 0.9777799036335185
Energy: 0.8669536484480102
Energy: 0.9529000689723549
Energy: 0.8669536484480102
Energy: 0.9529000689723549
Energy: 0.8669536484480102
Energy: 0.9529000689723549
Energy: 1.054445908913622
Energy: 0.8965936428197132
Energy: 1.054445908913622
Energy: 0.8965936428188583
Energy: 1.0544459089140492
Energy: 0.8965936428201405

minimum gb energy = 0.8448754561729946 eV
minimum distance =  2.32103060716946 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.8888717663598978
Energy: 0.8725934785141711
Energy: 0.8888717663612896
Energy: 0.8725934785141711
Energy: 0.8888717663612896
Energy: 0.8725934785141711
Energy: 0.9958259045886412
Energy: 0.8435538787341537
Energy: 0.9958259045879454
Energy: 0.8435538787341537
Energy: 0.9958259045886412
Energy: 0.8435538787348494
Energy: 0.9900354487703497
Energy: 0.9165442929639268
Energy: 0.9900354487710457
Energy: 0.9165442929639268
Energy: 0.9900354487710457
Energy: 0.9165442929639268
Energy: 0.8262302854150287
Energy: 0.9148101598319031
Energy: 0.8262302854122451
Energy: 0.9148101598312073
Energy: 0.8262302854115492
Energy: 0.9148101598319031
Energy: 0.968490596549394
Energy: 0.798106554491362
Energy: 0.9684905965500896
Energy: 0.7981065544906661
Energy: 0.9684905965500896
Energy: 0.798106554491362
Energy: 0.9146971288203536
Energy: 0.8557149983588481
Energy: 0.9146971288203536
Energy: 0.855714998359544
Energy: 0.9146971288196576
Energy: 0.8557149983581522
Energy: 0.820433205649775
Energy: 0.8902708338981812
Energy: 0.8204332056483832
Energy: 0.8902708338988773
Energy: 0.820433205649775
Energy: 0.8902708338981812
Energy: 1.0780340944370197
Energy: 0.8756506693693531
Energy: 1.0780340944377156
Energy: 0.8756506693700491
Energy: 1.0780340944377156
Energy: 0.8756506693700491
Energy: 0.8471878999380693
Energy: 0.857582821834341
Energy: 0.8471878999373734
Energy: 0.8575828218322532
Energy: 0.8471878999373734
Energy: 0.8575828218329492
Energy: 0.8779745316100632
Energy: 0.8638254206754163
Energy: 0.8779745316114551
Energy: 0.8638254206761122
Energy: 0.8779745316100632
Energy: 0.8638254206761122
Energy: 0.8095922800911795
Energy: 1.0652955562742805
Energy: 0.8095922800925713
Energy: 1.0652955562735849
Energy: 0.8095922800911795
Energy: 1.0652955562742805
Energy: 0.8772959624544111
Energy: 0.8158763034642798
Energy: 0.8772959624544111
Energy: 0.8158763034649757
Energy: 0.877295962455107
Energy: 0.815876303462888
Energy: 0.8765317762821305
Energy: 0.9291948230049155
Energy: 0.8765317762821305
Energy: 0.9291948230049155
Energy: 0.8765317762821305
Energy: 0.9291948230049155
Energy: 0.8234712320117438
Energy: 0.9024583900463795
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Energy: 0.9024583900463795
Energy: 0.8234712320117438
Energy: 0.9024583900477713
Energy: 0.9474542685414566
Energy: 0.8698969559885087
Energy: 0.9474542685421526
Energy: 0.8698969559885087
Energy: 0.9474542685421526
Energy: 0.8698969559892047
Energy: 0.874204120664467
Energy: 0.9607899544930247
Energy: 0.8742041206637712
Energy: 0.9607899544923288
Energy: 0.8742041206637712
Energy: 0.9607899544923288
Energy: 0.8880468853359476
Energy: 0.9755753842344036
Energy: 0.8880468853345558
Energy: 0.9755753842337076
Energy: 0.8880468853345558
Energy: 0.9755753842344036
Energy: 0.9232146258763543
Energy: 0.9691181138818553
Energy: 0.923214625879138
Energy: 0.9691181138825512
Energy: 0.9232146258805299
Energy: 0.9691181138818553
Energy: 0.8239610854177101
Energy: 1.027126820430136
Energy: 0.823961085418406
Energy: 1.0271268204294404
Energy: 0.823961085418406
Energy: 1.027126820430136
Energy: 0.8244842429251542
Energy: 0.9152169445851127
Energy: 0.8244842429251542
Energy: 0.9152169445851127
Energy: 0.8244842429251542
Energy: 0.9152169445851127
Energy: 0.9033511456025389
Energy: 0.932588888953592
Energy: 0.9033511456067144
Energy: 0.932588888953592
Energy: 0.903351145603235
Energy: 0.9325888889542879
Energy: 0.8095011766120422
Energy: 1.0311868248594922
Energy: 0.8095011766120422
Energy: 1.0311868248594922
Energy: 0.8095011766120422
Energy: 1.0311868248594922
Energy: 0.9005225630655136
Energy: 0.876760335297833
Energy: 0.9005225630655136
Energy: 0.876760335297833
Energy: 0.9005225630662095
Energy: 0.876760335297833
Energy: 0.8759921400674284
Energy: 1.0315741883038885
Energy: 0.8759921400674284
Energy: 1.0315741883045846
Energy: 0.8759921400688202
Energy: 1.0315741883031926
Energy: 0.8765019306887812
Energy: 1.0840255374938916
Energy: 0.8765019306880855
Energy: 1.0840255374931955
Energy: 0.8765019306887812
Energy: 1.0840255374931955
Energy: 0.873297851264835
Energy: 0.8761427582200702
Energy: 0.8732978512655309
Energy: 0.8761427582200702
Energy: 0.8732978512662268
Energy: 0.8761427582200702
Energy: 0.809457322642327
Energy: 1.0266649633405502
Energy: 0.809457322643023
Energy: 1.0266649633398544
Energy: 0.809457322643023
Energy: 1.0266649633398544

minimum gb energy = 0.7981065544906661 eV
minimum distance =  2.28152292394632 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.8456286270817566
Energy: 0.8004895277333945
Energy: 0.8456286270822636
Energy: 0.8004895277333945
Energy: 0.8456286270827706
Energy: 0.8004895277333945
Energy: 0.8613719661885613
Energy: 0.8091355578517055
Energy: 0.8613719661895753
Energy: 0.8091355578522126
Energy: 0.8613719661895753
Energy: 0.8091355578511985
Energy: 0.874277834892164
Energy: 0.8523584579370497
Energy: 0.874277834892164
Energy: 0.8523584579375568
Energy: 0.874277834892671
Energy: 0.8523584579370497
Energy: 0.8983326633014443
Energy: 0.8125274431933671
Energy: 0.8983326633014443
Energy: 0.8125274431938742
Energy: 0.8983326633019514
Energy: 0.8125274431933671
Energy: 0.8531090743619173
Energy: 0.7692011630747987
Energy: 0.8531090743619173
Energy: 0.7692011630747987
Energy: 0.8531090743644525
Energy: 0.7692011630753058
Energy: 0.7954682039209198
Energy: 0.782098282422216
Energy: 0.7954682039214268
Energy: 0.782098282422723
Energy: 0.7954682039209198
Energy: 0.782098282422723
Energy: 0.7371364814907997
Energy: 0.7870891951951046
Energy: 0.7371364814902928
Energy: 0.7870891951966258
Energy: 0.7371364814907997
Energy: 0.7870891951981468
Energy: 0.8530542692215602
Energy: 0.7573920799604741
Energy: 0.8530542692205462
Energy: 0.7573920799604741
Energy: 0.8530542692205462
Energy: 0.7573920799609811
Energy: 0.7560579357943459
Energy: 0.7719957918280053
Energy: 0.7560579357938387
Energy: 0.7719957918280053
Energy: 0.7560579357943459
Energy: 0.7719957918280053
Energy: 0.8646304207740294
Energy: 0.7507097972063527
Energy: 0.8646304207740294
Energy: 0.7507097972028494
Energy: 0.8646304207745363
Energy: 0.7507097972053386
Energy: 0.9231750102378745
Energy: 0.9106294717282083
Energy: 0.9231750102383816
Energy: 0.9106294717282083
Energy: 0.9231750102373675
Energy: 0.9106294717282083
Energy: 0.7307798999587344
Energy: 0.769744495490688
Energy: 0.7307798999587344
Energy: 0.7697444954901811
Energy: 0.7307798999592414
Energy: 0.769744495490688
Energy: 0.8633950319761933
Energy: 0.7191334541349864
Energy: 0.8633950319761933
Energy: 0.7191334541349864
Energy: 0.8633950319761933
Energy: 0.7191334541354933
Energy: 0.9206133690787559
Energy: 0.9132658716245451
Energy: 0.9206133690787559
Energy: 0.9132658716250522
Energy: 0.9206133690782488
Energy: 0.9132658716250522
Energy: 0.7499272162415691
Energy: 0.7704394758493397
Energy: 0.7499272162415691
Energy: 0.7704394758488327
Energy: 0.749927216242076
Energy: 0.7704394758488327
Energy: 0.8166691581892909
Energy: 0.7907083571017268
Energy: 0.8166691581892909
Energy: 0.7907083571012199
Energy: 0.8166691581892909
Energy: 0.7907083571012199
Energy: 0.9348242840506804
Energy: 0.9113449617416727
Energy: 0.9348242840511873
Energy: 0.9113449617416727
Energy: 0.9348242840511873
Energy: 0.9113449617416727
Energy: 0.7686958781620803
Energy: 0.7701933647511103
Energy: 0.7686958781625873
Energy: 0.7701933647495891
Energy: 0.7686958781615733
Energy: 0.7701933647495891
Energy: 0.7387525958900536
Energy: 0.8587231842421214
Energy: 0.7387525958900536
Energy: 0.8587231842426285
Energy: 0.7387525958895467
Energy: 0.8587231842421214
Energy: 0.8170246566361115
Energy: 0.8366729089835945
Energy: 0.8170246566381396
Energy: 0.8366729089835945
Energy: 0.8170246566366185
Energy: 0.8366729089846084
Energy: 0.8367584466566899
Energy: 0.7838613751984169
Energy: 0.8367584466566899
Energy: 0.7838613751949138
Energy: 0.8367584466561829
Energy: 0.7838613751979099
Energy: 0.8071214144178044
Energy: 0.8527043053239952
Energy: 0.8071214144178044
Energy: 0.8527043053239952
Energy: 0.8071214144178044
Energy: 0.8527043053245024
Energy: 0.8151281817502665
Energy: 0.8520112110500262
Energy: 0.8151281817502665
Energy: 0.8520112110500262
Energy: 0.8151281817507735
Energy: 0.8520112110500262
Energy: 0.888274079280321
Energy: 0.7858513684098071
Energy: 0.888274079280321
Energy: 0.7858513684098071
Energy: 0.8882740792798139
Energy: 0.7858513684098071
Energy: 0.7386559990540038
Energy: 0.834254726239423
Energy: 0.7386559990545108
Energy: 0.834254726239423
Energy: 0.7386559990534968
Energy: 0.8342547262384087
Energy: 0.7624136736741841
Energy: 0.8116885820186217
Energy: 0.7624136736741841
Energy: 0.8116885820181147
Energy: 0.7624136736736771
Energy: 0.8116885820186217
Energy: 0.7938810174504036
Energy: 0.759031074276986
Energy: 0.7938810174509108
Energy: 0.7590310742774932
Energy: 0.7938810174504036
Energy: 0.759031074276986
Energy: 0.7351851083822155
Energy: 0.8306670651169464
Energy: 0.7351851083822155
Energy: 0.8306670651174534
Energy: 0.7351851083822155
Energy: 0.8306670651169464
Energy: 0.7621368258896569
Energy: 0.7592004981371732
Energy: 0.762136825890671
Energy: 0.7592004981371732
Energy: 0.7621368258896569
Energy: 0.7592004981371732
Energy: 0.745118570626675
Energy: 0.9708275425575258
Energy: 0.7451185706261679
Energy: 0.97082754255854
Energy: 0.7451185706261679
Energy: 0.9708275425575258
Energy: 0.7549107790165624
Energy: 0.8279331573568538
Energy: 0.7549107790175765
Energy: 0.8279331573543186
Energy: 0.7549107790170695
Energy: 0.8279331573543186
Energy: 0.7628525183749006
Energy: 0.7354550068283527
Energy: 0.7628525183749006
Energy: 0.7354550068283527
Energy: 0.7628525183749006
Energy: 0.7354550068283527
Energy: 0.726538286315605
Energy: 0.8343396546925677
Energy: 0.726538286315605
Energy: 0.8343396546925677
Energy: 0.726538286315605
Energy: 0.8343396546920607
Energy: 0.920258971135582
Energy: 0.928642753849707
Energy: 0.920258971136089
Energy: 0.928642753849707
Energy: 0.920258971135582
Energy: 0.928642753849707
Energy: 0.7954992501538342
Energy: 0.7196644174329543
Energy: 0.7954992501533272
Energy: 0.7196644174279299
Energy: 0.7954992501538342
Energy: 0.7196644174314332
Energy: 0.6802141520625778
Energy: 0.8327048593737918
Energy: 0.6802141520625778
Energy: 0.8327048593737918
Energy: 0.6802141520620709
Energy: 0.8327048593753128

minimum gb energy = 0.6802141520620709 eV
minimum distance =  2.27462111589409 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200589243
Energy: 0.11426675838501879
Energy: 0.5547996730036705
Energy: 0.06053698229628605
Energy: 0.5547996730036705
Energy: 0.06053698229442305
Energy: 0.5547996730036705
Energy: 0.06053698229256006
Energy: 0.554764434133891
Energy: 0.060582822684271294
Energy: 0.554764434133891
Energy: 0.060582822684271294
Energy: 0.554764434133891
Energy: 0.0605828226824083
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.5547996730036705
Energy: 0.060536982288834064
Energy: 0.5547996730036705
Energy: 0.060536982288834064
Energy: 0.5547996730036705
Energy: 0.060536982288834064
Energy: 0.554764434133891
Energy: 0.06058282268613428
Energy: 0.554764434133891
Energy: 0.0605828226824083
Energy: 0.554764434133891
Energy: 0.06058282268613428
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.5547996730036705
Energy: 0.060536982283245076
Energy: 0.5547996730036705
Energy: 0.060536982283245076
Energy: 0.5547996730036705
Energy: 0.06053698228138208
Energy: 0.554764434133891
Energy: 0.060582822684271294
Energy: 0.554764434133891
Energy: 0.060582822684271294
Energy: 0.554764434133891
Energy: 0.06058282268613428
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879
Energy: 0.05821658200775542
Energy: 0.11426675838501879

minimum gb energy = 0.05821658200589243 eV
minimum distance =  2.46695079177518 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.8621470746962405
Energy: 0.7495391300917271
Energy: 0.8621470746967981
Energy: 0.7495391300917271
Energy: 0.8621470746962405
Energy: 0.7495391300917271
Energy: 0.7432051685184421
Energy: 0.750471246017149
Energy: 0.7432051685184421
Energy: 0.750471246017149
Energy: 0.7432051685184421
Energy: 0.750471246017149
Energy: 0.7588822991867195
Energy: 0.7508586396221265
Energy: 0.758882299187277
Energy: 0.750858639621569
Energy: 0.7588822991867195
Energy: 0.7508586396221265
Energy: 0.8190569718419466
Energy: 0.7911294047291416
Energy: 0.8190569718413893
Energy: 0.7911294047291416
Energy: 0.8190569718419466
Energy: 0.7911294047291416
Energy: 0.6450227642185378
Energy: 0.7555475425204535
Energy: 0.6450227642185378
Energy: 0.7555475425204535
Energy: 0.6450227642179803
Energy: 0.7555475425204535
Energy: 0.7624050305645977
Energy: 0.7676409853015657
Energy: 0.7624050305651553
Energy: 0.7676409853015657
Energy: 0.7624050305645977
Energy: 0.7676409853010082
Energy: 0.7582877774180173
Energy: 0.7347967174520739
Energy: 0.7582877774185749
Energy: 0.7347967174537464
Energy: 0.7582877774180173
Energy: 0.7347967174537464
Energy: 0.6408241208464274
Energy: 0.7551706322319856
Energy: 0.6408241208458698
Energy: 0.7551706322325431
Energy: 0.6408241208458698
Energy: 0.7551706322319856
Energy: 0.7734780562391601
Energy: 0.7724661548278308
Energy: 0.7734780562391601
Energy: 0.7724661548278308
Energy: 0.7734780562391601
Energy: 0.7724661548278308
Energy: 0.7245923866070034
Energy: 0.6793282665985189
Energy: 0.724592386607561
Energy: 0.6793282665979614
Energy: 0.724592386607561
Energy: 0.6793282665968464
Energy: 0.6776778120660454
Energy: 0.7538785534163127
Energy: 0.6776778120649304
Energy: 0.7538785534168703
Energy: 0.6776778120660454
Energy: 0.7538785534168703
Energy: 0.791872378354152
Energy: 0.8031778417970058
Energy: 0.7918723783547096
Energy: 0.8031778417970058
Energy: 0.7918723783547096
Energy: 0.8031778417970058
Energy: 0.7522227321970972
Energy: 0.6475162125522624
Energy: 0.7522227321965398
Energy: 0.6475162125522624
Energy: 0.7522227321965398
Energy: 0.6475162125522624
Energy: 0.7037714427270931
Energy: 0.7891926865364517
Energy: 0.7037714427265357
Energy: 0.7891926865364517
Energy: 0.7037714427270931
Energy: 0.7891926865364517
Energy: 0.7618278584715789
Energy: 0.7821508136140164
Energy: 0.7618278584721364
Energy: 0.782150813614574
Energy: 0.7618278584715789
Energy: 0.782150813614574
Energy: 0.7716914446034581
Energy: 0.6409546965338166
Energy: 0.7716914446045731
Energy: 0.6409546965343741
Energy: 0.7716914446034581
Energy: 0.6409546965338166
Energy: 0.7506353549307127
Energy: 0.8137938706393102
Energy: 0.7506353549301551
Energy: 0.8137938706393102
Energy: 0.7506353549301551
Energy: 0.8137938706387527
Energy: 0.7548955555701437
Energy: 0.7529407015348247
Energy: 0.7548955555707012
Energy: 0.7529407015342673
Energy: 0.7548955555701437
Energy: 0.7529407015342673
Energy: 0.7730454114963843
Energy: 0.7244685871337688
Energy: 0.7730454114963843
Energy: 0.7244685871337688
Energy: 0.7730454114969418
Energy: 0.7244685871337688
Energy: 0.7406412879654686
Energy: 0.8633972465976923
Energy: 0.7406412879643536
Energy: 0.8633972465976923
Energy: 0.7406412879654686
Energy: 0.8633972465976923
Energy: 0.7947032192689045
Energy: 0.7481134444256315
Energy: 0.7947032192689045
Energy: 0.7481134444261891
Energy: 0.7947032192689045
Energy: 0.7481134444256315
Energy: 0.7699587042983963
Energy: 0.737346912931317
Energy: 0.7699587042972813
Energy: 0.737346912931317
Energy: 0.7699587042983963
Energy: 0.737346912931317
Energy: 0.7511601185918795
Energy: 0.7705171751894325
Energy: 0.7511601185929945
Energy: 0.7705171751888752
Energy: 0.7511601185929945
Energy: 0.7705171751894325
Energy: 0.7642611115266541
Energy: 0.7307494851730447
Energy: 0.7642611115266541
Energy: 0.7307494851730447
Energy: 0.7642611115260965
Energy: 0.7307494851730447
Energy: 0.7694120178711339
Energy: 0.764574631564462
Energy: 0.7694120178716913
Energy: 0.7645746315650196
Energy: 0.7694120178711339
Energy: 0.7645746315650196
Energy: 0.7238470912018363
Energy: 0.772432953157533
Energy: 0.7238470912012789
Energy: 0.772432953157533
Energy: 0.7238470912018363
Energy: 0.772432953157533
Energy: 0.8333463038044142
Energy: 0.6467533522952448
Energy: 0.8333463038049718
Energy: 0.6467533522958023
Energy: 0.8333463038049718
Energy: 0.6467533522952448
Energy: 0.7626193526013485
Energy: 0.7778622359954606
Energy: 0.762619352600791
Energy: 0.7778622359954606
Energy: 0.7626193526013485
Energy: 0.7778622359954606
Energy: 0.7022603874459167
Energy: 0.7523743171321967
Energy: 0.7022603874453592
Energy: 0.7523743171321967
Energy: 0.7022603874459167
Energy: 0.7523743171321967
Energy: 0.8508690071703747
Energy: 0.6871281529588037
Energy: 0.8508690071703747
Energy: 0.6871281529588037
Energy: 0.8508690071703747
Energy: 0.6871281529588037
Energy: 0.7970616800744943
Energy: 0.7725036053404104
Energy: 0.7970616800744943
Energy: 0.7725036053404104
Energy: 0.7970616800739367
Energy: 0.7725036053404104
Energy: 0.6753276920146603
Energy: 0.7364243107178399
Energy: 0.6753276920146603
Energy: 0.7364243107200698
Energy: 0.6753276920146603
Energy: 0.7364243107195124
Energy: 0.7787148104274936
Energy: 0.7459365908616882
Energy: 0.7787148104274936
Energy: 0.7459365908616882
Energy: 0.7787148104274936
Energy: 0.7459365908611306

minimum gb energy = 0.6408241208458698 eV
minimum distance =  2.335305140644 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.007075097453587
Energy: 0.9179224202345735
Energy: 1.0070750974543814
Energy: 0.9179224202345735
Energy: 1.0070750974543814
Energy: 0.9179224202345735
Energy: 0.9001221567812849
Energy: 0.922074694821036
Energy: 0.9001221567812849
Energy: 0.922074694821036
Energy: 0.9001221567812849
Energy: 0.922074694821036
Energy: 0.9472005045948506
Energy: 0.9446091596144511
Energy: 0.9472005045948506
Energy: 0.9446091596144511
Energy: 0.9472005045948506
Energy: 0.9446091596144511
Energy: 0.9633600018639538
Energy: 0.8902172535030197
Energy: 0.9633600018639538
Energy: 0.8902172535030197
Energy: 0.9633600018639538
Energy: 0.8902172535022251
Energy: 0.8026449300450311
Energy: 0.8768834249968013
Energy: 0.8026449300450311
Energy: 0.876883424996007
Energy: 0.8026449300442366
Energy: 0.8768834249968013
Energy: 0.9421065812525284
Energy: 0.9322345795396768
Energy: 0.9421065812525284
Energy: 0.9322345795388824
Energy: 0.9421065812525284
Energy: 0.9322345795396768
Energy: 0.8890664392514722
Energy: 0.8668950837758002
Energy: 0.8890664392514722
Energy: 0.8668950837742113
Energy: 0.8890664392514722
Energy: 0.8668950837750059
Energy: 0.8674274674839165
Energy: 0.8682804783247144
Energy: 0.8674274674839165
Energy: 0.8682804783255089
Energy: 0.8674274674839165
Energy: 0.8682804783247144
Energy: 0.9648458750948432
Energy: 0.9798220058464896
Energy: 0.9648458750948432
Energy: 0.979822005847284
Energy: 0.9648458750948432
Energy: 0.9798220058464896
Energy: 0.920369210642656
Energy: 0.8233232377004827
Energy: 0.920369210642656
Energy: 0.8233232377004827
Energy: 0.920369210642656
Energy: 0.8233232377004827
Energy: 0.9130023792850154
Energy: 0.9390003090960148
Energy: 0.9130023792850154
Energy: 0.9390003090960148
Energy: 0.9130023792850154
Energy: 0.9390003090960148
Energy: 0.8940636978743028
Energy: 0.9364016503331738
Energy: 0.8940636978735087
Energy: 0.9364016503331738
Energy: 0.8940636978743028
Energy: 0.9364016503331738
Energy: 0.9189772048064011
Energy: 0.8827522372827273
Energy: 0.9189772048071954
Energy: 0.8827522372827273
Energy: 0.9189772048071954
Energy: 0.8827522372827273
Energy: 0.8981119325698521
Energy: 0.9470139892594683
Energy: 0.8981119325690577
Energy: 0.9470139892578795
Energy: 0.8981119325698521
Energy: 0.9470139892594683
Energy: 0.9067018188993805
Energy: 0.8952815279289092
Energy: 0.9067018189001751
Energy: 0.8952815279297036
Energy: 0.9067018188993805
Energy: 0.8952815279289092
Energy: 0.9617961623856552
Energy: 0.9127789876774214
Energy: 0.9617961623856552
Energy: 0.9127789876774214
Energy: 0.9617961623856552
Energy: 0.9127789876774214
Energy: 0.9225927121582166
Energy: 0.9502563775889201
Energy: 0.9225927121574223
Energy: 0.9502563775889201
Energy: 0.9225927121574223
Energy: 0.9502563775881259
Energy: 0.9364383161634008
Energy: 0.8772817312561302
Energy: 0.9364383161618118
Energy: 0.8772817312561302
Energy: 0.9364383161626062
Energy: 0.8772817312561302
Energy: 0.9258154592597101
Energy: 0.9535069093867503
Energy: 0.9991136367818769
Energy: 0.9535069093875448
Energy: 0.9258154592597101
Energy: 0.9535069093867503
Energy: 0.8094022914846766
Energy: 0.944746427960856
Energy: 0.8094022914830878
Energy: 0.944746427960856
Energy: 0.8094022914838822
Energy: 0.9447464279616501
Energy: 0.9764926343272092
Energy: 0.8846940006315231
Energy: 0.9764926343272092
Energy: 0.8846940006323175
Energy: 0.976492634326415
Energy: 0.8846940006315231
Energy: 0.9703788485025654
Energy: 0.9877211304963321
Energy: 0.970378848501771
Energy: 0.9877211304963321
Energy: 0.9703788485025654
Energy: 0.9877211304963321
Energy: 0.8077310199319322
Energy: 0.9452984448935123
Energy: 0.8077310199311378
Energy: 0.9452984448935123
Energy: 0.8077310199319322
Energy: 0.9452984448935123

minimum gb energy = 0.8026449300442366 eV
minimum distance =  2.3307689390692 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.1552972593216897
Energy: 1.0407479609971615
Energy: 1.1053268842929884
Energy: 1.0407479609971615
Energy: 1.1552972593216897
Energy: 1.0407479609966577
Energy: 1.0361666952593986
Energy: 1.0937956382820964
Energy: 1.0361666952593986
Energy: 1.0937956382815923
Energy: 1.0361666952593986
Energy: 1.0937956382810883
Energy: 1.062101585840938
Energy: 1.0730941402430745
Energy: 1.062101585840938
Energy: 1.0730941402430745
Energy: 1.062101585841442
Energy: 1.0730941402425707
Energy: 1.0505519809360075
Energy: 1.0339479318950293
Energy: 1.0505519809360075
Energy: 1.033947931894525
Energy: 1.0505519809355037
Energy: 1.0339479318955331
Energy: 1.0259730802144438
Energy: 1.0166854653692279
Energy: 1.025973080213436
Energy: 1.0166854653692279
Energy: 1.02597308021394
Energy: 1.0166854653692279
Energy: 1.1183364483415372
Energy: 1.1200529700602904
Energy: 1.1183364483410334
Energy: 1.1200529700602904
Energy: 1.1183364483415372
Energy: 1.1200529700597863
Energy: 1.026905026587286
Energy: 0.9549031621444756
Energy: 1.026905026587286
Energy: 0.9549031621449795
Energy: 1.026905026587286
Energy: 0.9549031621439715
Energy: 1.0947241030441377
Energy: 1.0335338684751254
Energy: 1.0947241030446415
Energy: 1.0335338684746216
Energy: 1.0947241030446415
Energy: 1.0335338684751254
Energy: 1.0677595706448535
Energy: 1.0584700080722866
Energy: 1.067758737591169
Energy: 1.0584700080717828
Energy: 1.0677595706443497
Energy: 1.0584700080712788
Energy: 1.0891347666718703
Energy: 1.050366755592837
Energy: 1.089134766672374
Energy: 1.0503667555933411
Energy: 1.089134766672374
Energy: 1.0503667555943488
Energy: 1.1603558285671651
Energy: 1.0768179069161288
Energy: 1.1603658192630801
Energy: 1.0768179069171369
Energy: 1.1603558285671651
Energy: 1.0768179069166328
Energy: 0.9962493620385989
Energy: 1.0526662524000348
Energy: 0.9962493620375911
Energy: 1.0526662524000348
Energy: 0.996249362038095
Energy: 1.0526662524005388
Energy: 1.0922170307941819
Energy: 1.0447333249030468
Energy: 1.0922170307941819
Energy: 1.0447333249030468
Energy: 1.0922170307941819
Energy: 1.0447333249035509
Energy: 1.048624897752294
Energy: 1.0763860841277104
Energy: 1.048624897752294
Energy: 1.0763860841277104
Energy: 1.048624897752294
Energy: 1.0763860841272066
Energy: 1.0278454201605882
Energy: 1.0506932516218797
Energy: 1.027845420161596
Energy: 1.0506932516223835
Energy: 1.027845420161092
Energy: 1.0506932516223835
Energy: 1.051299004697942
Energy: 1.0548847073511125
Energy: 1.051299004697942
Energy: 1.0548847073516165
Energy: 1.051299004697438
Energy: 1.0548847073516165
Energy: 0.9540780154802277
Energy: 1.0292989055004342
Energy: 0.9540780154807315
Energy: 1.0292989054994262
Energy: 0.9540780154802277
Energy: 1.0292989054999302
Energy: 1.0884071368095969
Energy: 1.1265110854211111
Energy: 1.0884071368101007
Energy: 1.126511085421615
Energy: 1.0884071368106047
Energy: 1.126511085422119
Energy: 0.9901582879900966
Energy: 1.0682244367674065
Energy: 0.9901582879900966
Energy: 1.0682244367679106
Energy: 0.9901582879900966
Energy: 1.0682244367679106
Energy: 1.0331120714928066
Energy: 1.0303545546505462
Energy: 1.0331120714928066
Energy: 1.030354554650042
Energy: 1.0331120714933106
Energy: 1.0303545546510502
Energy: 1.0523168581813567
Energy: 1.1242777606932401
Energy: 1.0522579674138912
Energy: 1.1242777606937442
Energy: 1.0523168581813567
Energy: 1.1242777606937442
Energy: 1.032921446176685
Energy: 0.9805467358710507
Energy: 1.032921446176685
Energy: 0.9805467358710507
Energy: 1.0329214461761809
Energy: 0.9805467358715546
Energy: 1.1044904014349217
Energy: 1.0773120877421836
Energy: 1.0075553604558627
Energy: 1.0773120877416797
Energy: 1.1044904014354255
Energy: 1.0773120877421836
Energy: 1.1389440949615262
Energy: 1.044016752075909
Energy: 1.0875442466072762
Energy: 1.044016752075909
Energy: 1.1389440949615262
Energy: 1.044016752075909
Energy: 1.035852778601066
Energy: 1.0478090066981014
Energy: 0.9946620577951524
Energy: 1.0478090066981014
Energy: 1.0358527786015699
Energy: 1.0478090066991095
Energy: 1.0784331325507954
Energy: 1.092466711807429
Energy: 1.0784331325512995
Energy: 1.092466711806925
Energy: 1.0784331325507954
Energy: 1.0924667118079328
Energy: 0.9943753393044696
Energy: 1.011393398576021
Energy: 0.9943753393024537
Energy: 1.011393398576021
Energy: 0.9943753393019498
Energy: 1.0113933985770287
Energy: 1.050745868201327
Energy: 1.1095039843740502
Energy: 1.0507458682003192
Energy: 1.1095039843745544
Energy: 1.0507458682008233
Energy: 1.1095039843730423
Energy: 0.9839097630534147
Energy: 1.0238649783737346
Energy: 0.9839097630539186
Energy: 1.0238649783732305
Energy: 0.9839097630539186
Energy: 1.0238649783722227
Energy: 0.9886794626631347
Energy: 0.9952320205768249
Energy: 0.9886794626631347
Energy: 0.9952320205773291
Energy: 0.9886794626631347
Energy: 0.9952320205773291
Energy: 1.1411576282200444
Energy: 1.0868885916394424
Energy: 1.1411576282190365
Energy: 1.0868885916399464
Energy: 1.1411576282190365
Energy: 1.0868885916399464
Energy: 0.9689686675298643
Energy: 1.0301899393068064
Energy: 0.9689796977510737
Energy: 1.0301899393068064
Energy: 0.968968667531376
Energy: 1.0301899393068064
Energy: 1.0507625392161466
Energy: 1.1699790704226056
Energy: 1.0507632624557517
Energy: 1.1699790704221016
Energy: 1.0507625392161466
Energy: 1.1699790704226056
Energy: 1.0905877664606334
Energy: 1.0655973138275763
Energy: 1.0905877664611374
Energy: 1.0655973138275763
Energy: 1.0905877664606334
Energy: 1.0655973138275763
Energy: 0.9960564394216894
Energy: 1.0734863867269997
Energy: 0.9960564394216894
Energy: 1.0734863867275037
Energy: 0.9960564394216894
Energy: 1.0734863867269997
Energy: 1.1525795994829728
Energy: 1.044023235926222
Energy: 1.152579599481965
Energy: 1.0440232359267259
Energy: 1.1525795994829728
Energy: 1.0440232359267259
Energy: 1.037932501528815
Energy: 1.0688009574891653
Energy: 1.037932501528815
Energy: 1.0688009574896693
Energy: 1.037932501528311
Energy: 1.0688009574891653

minimum gb energy = 0.9540780154802277 eV
minimum distance =  2.25543939890688 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.212011106261163
Energy: 1.1571902270975458
Energy: 1.2120111062597874
Energy: 1.1571902270975458
Energy: 1.2120111062597874
Energy: 1.1571902270975458
Energy: 1.1377772491062554
Energy: 1.1696403950062968
Energy: 1.1377772491062554
Energy: 1.1696403950076728
Energy: 1.1377772491076314
Energy: 1.1696403950062968
Energy: 1.2747408278333265
Energy: 1.1529972904805004
Energy: 1.2747408278333265
Energy: 1.1529972904805004
Energy: 1.2747408278333265
Energy: 1.1529972904791244
Energy: 1.2009936827918404
Energy: 1.1837763578918827
Energy: 1.2009936827904646
Energy: 1.1837763578932585
Energy: 1.2009936827904646
Energy: 1.1837763578932585
Energy: 1.1156540500223708
Energy: 1.1493715986312607
Energy: 1.1156540500223708
Energy: 1.1493715986312607
Energy: 1.1156540500223708
Energy: 1.1493715986312607
Energy: 1.2874577828367022
Energy: 1.2333348427860773
Energy: 1.287457782838078
Energy: 1.233334842787453
Energy: 1.2874577828367022
Energy: 1.2333348427888289
Energy: 1.197000165575878
Energy: 1.0979963881068666
Energy: 1.197000165575878
Energy: 1.0979963881068666
Energy: 1.1970001655745022
Energy: 1.0979963881068666
Energy: 1.2039863362920336
Energy: 1.1595890111180587
Energy: 1.2039863362920336
Energy: 1.1595890111180587
Energy: 1.2039863362920336
Energy: 1.1595890111180587
Energy: 1.0420977121783954
Energy: 1.1346750724314592
Energy: 1.0420977121783954
Energy: 1.1346750724314592
Energy: 1.0420977121783954
Energy: 1.1346750724314592
Energy: 1.2017374296641599
Energy: 1.1644131026829752
Energy: 1.2017374296655359
Energy: 1.1644131026829752
Energy: 1.2017374296641599
Energy: 1.1644131026815991
Energy: 1.0628527605571731
Energy: 1.1532770838077262
Energy: 1.0628527605571731
Energy: 1.1532770838077262
Energy: 1.0628527605571731
Energy: 1.1532770838077262
Energy: 1.1387087554541364
Energy: 1.170947657727031
Energy: 1.1387087554541364
Energy: 1.170947657727031
Energy: 1.1387087554541364
Energy: 1.170947657725655
Energy: 1.059135954647219
Energy: 1.210391688645155
Energy: 1.0591359546444672
Energy: 1.210391688643779
Energy: 1.0591359546458434
Energy: 1.210391688645155
Energy: 1.1160790908578917
Energy: 1.158597161517158
Energy: 1.116079090856516
Energy: 1.1585971615157822
Energy: 1.1160790908578917
Energy: 1.158597161517158

minimum gb energy = 1.0420977121783954 eV
minimum distance =  2.28900258083914 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.377949437771052
Energy: 1.355932571336432
Energy: 1.3779494377704473
Energy: 1.355932571336432
Energy: 1.3779494377704473
Energy: 1.355932571336432
Energy: 1.2381969666571562
Energy: 1.300936837404633
Energy: 1.2381969666571562
Energy: 1.300936837404633
Energy: 1.2381969666571562
Energy: 1.300936837404633
Energy: 1.3170701044981747
Energy: 1.287743812086248
Energy: 1.3170701044981747
Energy: 1.287743812086248
Energy: 1.3170701044993836
Energy: 1.2877438120856435
Energy: 1.3084934658240643
Energy: 1.2437017878105199
Energy: 1.3084934658240643
Energy: 1.2437017878105199
Energy: 1.30849346582346
Energy: 1.2437017878105199
Energy: 1.3318470707310859
Energy: 1.2909537433199434
Energy: 1.3318470707310859
Energy: 1.2909537433199434
Energy: 1.3318470707310859
Energy: 1.290953743320548
Energy: 1.289213495484046
Energy: 1.3501348989495896
Energy: 1.289213495484046
Energy: 1.3501348989495896
Energy: 1.289213495484046
Energy: 1.3501348989495896
Energy: 1.3144163164453733
Energy: 1.273968009498194
Energy: 1.3144163164453733
Energy: 1.273968009498194
Energy: 1.3144163164453733
Energy: 1.2739680094975898
Energy: 1.2843477388686482
Energy: 1.311074132371776
Energy: 1.2843477388686482
Energy: 1.311074132371776
Energy: 1.2843477388686482
Energy: 1.311074132371776
Energy: 1.3106515220670332
Energy: 1.3180258703235663
Energy: 1.3106515220670332
Energy: 1.3180258703235663
Energy: 1.3106515220670332
Energy: 1.318025870322962
Energy: 1.2941298356882156
Energy: 1.3126816810139026
Energy: 1.2941298356882156
Energy: 1.3126816810139026
Energy: 1.2941298356882156
Energy: 1.3126816810139026
Energy: 1.2857079995421192
Energy: 1.3076085980045804
Energy: 1.2857079995421192
Energy: 1.3076085980045804
Energy: 1.2857079995421192
Energy: 1.3076085980045804
Energy: 1.3264988919355218
Energy: 1.3331129788740856
Energy: 1.3264988919355218
Energy: 1.3331129788734812
Energy: 1.3264988919355218
Energy: 1.3331129788734812
Energy: 1.3072949326451966
Energy: 1.2820125576879813
Energy: 1.3072949326451966
Energy: 1.2820125576879813
Energy: 1.3072949326458012
Energy: 1.2820125576879813
Energy: 1.2952310085633156
Energy: 1.3113255472836864
Energy: 1.295231008562711
Energy: 1.3113255472836864
Energy: 1.2952310085621066
Energy: 1.3113255472836864
Energy: 1.2713265096606559
Energy: 1.310355982615251
Energy: 1.2713265096606559
Energy: 1.310355982615251
Energy: 1.2713265096612603
Energy: 1.310355982615251
Energy: 1.3178282499062433
Energy: 1.2745313372564622
Energy: 1.3178282499056393
Energy: 1.2745313372564622
Energy: 1.3178282499056393
Energy: 1.2745313372570668
Energy: 1.2512574115416804
Energy: 1.2924654646360219
Energy: 1.251257411541076
Energy: 1.2924654646360219
Energy: 1.251257411541076
Energy: 1.2924654646354174
Energy: 1.3297021853004216
Energy: 1.3279650961573286
Energy: 1.3297021852998172
Energy: 1.3279650961573286
Energy: 1.3297021852998172
Energy: 1.3279650961573286
Energy: 1.2808650038512397
Energy: 1.2305185377858179
Energy: 1.2808650038512397
Energy: 1.2305185377858179
Energy: 1.2808650038512397
Energy: 1.2305185377858179
Energy: 1.2877756251601993
Energy: 1.2989041435402795
Energy: 1.2877756251601993
Energy: 1.2989041435402795
Energy: 1.2877756251601993
Energy: 1.2989041435402795
Energy: 1.2567212774316705
Energy: 1.2713648453683966
Energy: 1.256721277432275
Energy: 1.2713648453683966
Energy: 1.2567212774316705
Energy: 1.2713648453683966
Energy: 1.351330849612003
Energy: 1.3379342298572539
Energy: 1.351330849612003
Energy: 1.3379342298578583
Energy: 1.351330849612003
Energy: 1.3379342298572539
Energy: 1.287834861178359
Energy: 1.2878680181238773
Energy: 1.2878348611777546
Energy: 1.2878680181238773
Energy: 1.2878348611777546
Energy: 1.2878680181238773
Energy: 1.3282529732872217
Energy: 1.3003222024398773
Energy: 1.3282529732872217
Energy: 1.3003222024398773
Energy: 1.3282529732872217
Energy: 1.3003222024398773
Energy: 1.2979421407540455
Energy: 1.294166205999932
Energy: 1.2979421407540455
Energy: 1.294166205999932
Energy: 1.2979421407540455
Energy: 1.294166205999932
Energy: 1.269470529718456
Energy: 1.296705077973908
Energy: 1.269470529718456
Energy: 1.296705077973908
Energy: 1.269470529718456
Energy: 1.296705077973908
Energy: 1.2949020358435217
Energy: 1.3503663531476588
Energy: 1.2949020358441259
Energy: 1.3503663531476588
Energy: 1.2949020358441259
Energy: 1.3503663531476588
Energy: 1.3082488011338973
Energy: 1.2722220303420437
Energy: 1.3082488011338973
Energy: 1.2722220303420437
Energy: 1.3082488011345017
Energy: 1.2722220303420437
Energy: 1.2973322145633066
Energy: 1.310058846983111
Energy: 1.2973322145633066
Energy: 1.310058846983111
Energy: 1.2973322145633066
Energy: 1.310058846983111
Energy: 1.2815916082961163
Energy: 1.2285333914918857
Energy: 1.2815916082961163
Energy: 1.2285333914918857
Energy: 1.2815916082961163
Energy: 1.2285333914918857
Energy: 1.2926690542307195
Energy: 1.35244655087471
Energy: 1.2926690542307195
Energy: 1.35244655087471
Energy: 1.2926690542307195
Energy: 1.35244655087471

minimum gb energy = 1.2285333914918857 eV
minimum distance =  2.25400120891014 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2359073056604843
Energy: 1.2206786983339177
Energy: 1.2359073056615602
Energy: 1.2206786983339177
Energy: 1.2359073056615602
Energy: 1.2206786983339177
Energy: 1.2958266852280285
Energy: 1.195363360062632
Energy: 1.295826685229104
Energy: 1.1953633600615565
Energy: 1.2958266852280285
Energy: 1.195363360062632
Energy: 1.3220847936136402
Energy: 1.2637180795433869
Energy: 1.3220847936147158
Energy: 1.263718079544463
Energy: 1.3220847936136402
Energy: 1.2637180795433869
Energy: 1.2258301631322213
Energy: 1.226608472584846
Energy: 1.2258301631322213
Energy: 1.226608472584846
Energy: 1.2258301631322213
Energy: 1.226608472584846
Energy: 1.3220911541458769
Energy: 1.2637232310025701
Energy: 1.3220911541458769
Energy: 1.2637232310025701
Energy: 1.3220911541448015
Energy: 1.2637232310025701
Energy: 1.2958593118024733
Energy: 1.1950784211922256
Energy: 1.2958593118024733
Energy: 1.1950784211922256
Energy: 1.2958593118024733
Energy: 1.1950784211922256
Energy: 1.2359073056604843
Energy: 1.2206786983349935
Energy: 1.2359073056604843
Energy: 1.2206786983339177
Energy: 1.2359073056604843
Energy: 1.2206786983349935
Energy: 1.2958266852280285
Energy: 1.195363360062632
Energy: 1.2958266852280285
Energy: 1.1953633600615565
Energy: 1.2958266852280285
Energy: 1.195363360062632
Energy: 1.3220847936157913
Energy: 1.2637180795433869
Energy: 1.3220847936168671
Energy: 1.263718079544463
Energy: 1.3220847936190183
Energy: 1.2637180795433869
Energy: 1.2258301631322213
Energy: 1.1836278249931773
Energy: 1.2258301631322213
Energy: 1.1836278249931773
Energy: 1.2258301631322213
Energy: 1.2532776453890495
Energy: 1.3220911541458769
Energy: 1.2637232310025701
Energy: 1.3220911541448015
Energy: 1.2637232310025701
Energy: 1.3220911541448015
Energy: 1.2637232310025701
Energy: 1.2958593118035489
Energy: 1.19507842119115
Energy: 1.2958593118046244
Energy: 1.1950784211922256
Energy: 1.2958593118046244
Energy: 1.1950784211922256
Energy: 1.2359073056604843
Energy: 1.2206786983339177
Energy: 1.2359073056615602
Energy: 1.2206786983339177
Energy: 1.2359073056604843
Energy: 1.2206786983349935
Energy: 1.2958266852280285
Energy: 1.195363360062632
Energy: 1.2958266852280285
Energy: 1.1953633600615565
Energy: 1.2958266852280285
Energy: 1.195363360062632
Energy: 1.3220847936136402
Energy: 1.2637180795433869
Energy: 1.3220847936136402
Energy: 1.263718079544463
Energy: 1.3220847936211693
Energy: 1.2637180795433869
Energy: 1.2258301631322213
Energy: 1.1836278249931773
Energy: 1.2258301631322213
Energy: 1.1836278249931773
Energy: 1.2258301631322213
Energy: 1.2532776453890495
Energy: 1.3220911541448015
Energy: 1.2637232310025701
Energy: 1.3220911541458769
Energy: 1.2637232310025701
Energy: 1.3220911541448015
Energy: 1.2637232310025701

minimum gb energy = 1.1836278249931773 eV
minimum distance =  2.29974250807105 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.374249903710737
Energy: 1.2680324282700735
Energy: 1.374249903710737
Energy: 1.2680324282700735
Energy: 1.374249903709859
Energy: 1.2680324282700735
Energy: 1.3135030796979563
Energy: 1.303927699015382
Energy: 1.3135030796979563
Energy: 1.3039276990162605
Energy: 1.3135030796979563
Energy: 1.3039276990162605
Energy: 1.3019680488541292
Energy: 1.3127689556811006
Energy: 1.3019680488541292
Energy: 1.3127689556811006
Energy: 1.3019680488541292
Energy: 1.3127689556802224
Energy: 1.2932894728612165
Energy: 1.382477753614641
Energy: 1.2932894728612165
Energy: 1.382477753614641
Energy: 1.2932894728612165
Energy: 1.382477753613763
Energy: 1.3232108771360287
Energy: 1.2617889387285706
Energy: 1.3232108771360287
Energy: 1.2617889387285706
Energy: 1.3232108771360287
Energy: 1.2617889387285706
Energy: 1.3028088232544701
Energy: 1.3281921510300418
Energy: 1.3028088232544701
Energy: 1.3281921510300418
Energy: 1.3028088232544701
Energy: 1.3281921510300418
Energy: 1.3022350554064193
Energy: 1.3195148329314506
Energy: 1.3022350554064193
Energy: 1.3195148329305724
Energy: 1.3022350554064193
Energy: 1.3195148329305724
Energy: 1.2863476736331232
Energy: 1.3513805190148782
Energy: 1.2863476736340012
Energy: 1.3513805190148782
Energy: 1.2863476736331232
Energy: 1.3513805190148782
Energy: 1.3906712181206946
Energy: 1.3211999221901658
Energy: 1.3906712181206946
Energy: 1.3211999221892876
Energy: 1.3906712181206946
Energy: 1.3211999221892876
Energy: 1.3049244916786902
Energy: 1.2975488980717933
Energy: 1.3049244916786902
Energy: 1.2975488980726713
Energy: 1.3049244916795684
Energy: 1.2975488980726713
Energy: 1.3368729097118235
Energy: 1.309788283407178
Energy: 1.3368729097127015
Energy: 1.3097882834063
Energy: 1.3368729097118235
Energy: 1.3097882834063
Energy: 1.3719442935883515
Energy: 1.3299129538932994
Energy: 1.3719442935883515
Energy: 1.3299129538932994
Energy: 1.3719442935883515
Energy: 1.3299129538932994
Energy: 1.2954496749217235
Energy: 1.3543933132401307
Energy: 1.2954496749217235
Energy: 1.3543933132401307
Energy: 1.2954496749226019
Energy: 1.3543933132392523
Energy: 1.3129631931871728
Energy: 1.2994116120608272
Energy: 1.3129631931871728
Energy: 1.2994116120617056
Energy: 1.3129631931871728
Energy: 1.2994116120608272
Energy: 1.3806646763267731
Energy: 1.3169838791816852
Energy: 1.3806646763267731
Energy: 1.3169838791816852
Energy: 1.3806646763267731
Energy: 1.3169838791816852
Energy: 1.3738494569292603
Energy: 1.3101241520501588
Energy: 1.3738494569292603
Energy: 1.3101241520492808
Energy: 1.3738494569292603
Energy: 1.3101241520492808
Energy: 1.2972865990868776
Energy: 1.3109301340296056
Energy: 1.2972865990868776
Energy: 1.3109301340296056
Energy: 1.2972865990877558
Energy: 1.3109301340296056
Energy: 1.4481336932422724
Energy: 1.318989309330563
Energy: 1.4481336932422724
Energy: 1.318989309330563
Energy: 1.4481336932431508
Energy: 1.318989309330563
Energy: 1.2907728888152916
Energy: 1.3079140193594008
Energy: 1.2907728888152916
Energy: 1.3079140193585226
Energy: 1.2907728888152916
Energy: 1.3079140193594008
Energy: 1.3036362386874498
Energy: 1.270310830544591
Energy: 1.3036362386874498
Energy: 1.270310830544591
Energy: 1.3036362386874498
Energy: 1.270310830544591
Energy: 1.3765584947445486
Energy: 1.3403996243549012
Energy: 1.3765584947445486
Energy: 1.3403996243540228
Energy: 1.3765584947445486
Energy: 1.3403996243540228

minimum gb energy = 1.2617889387285706 eV
minimum distance =  2.26882426300786 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.3605271422652754
Energy: 1.251057538337182
Energy: 1.3605271422667558
Energy: 1.2510575383379223
Energy: 1.3605271422652754
Energy: 1.2510575383364417
Energy: 1.3004177531574097
Energy: 1.2656109911928475
Energy: 1.3004177531566696
Energy: 1.2656109911935876
Energy: 1.3004177531574097
Energy: 1.2656109911935876
Energy: 1.2594512874128339
Energy: 1.2871825019841576
Energy: 1.2594512874128339
Energy: 1.2871825019834173
Energy: 1.2594512874128339
Energy: 1.2871825019834173
Energy: 1.2684848789691783
Energy: 1.2590551632533615
Energy: 1.2684848789691783
Energy: 1.2590551632541018
Energy: 1.2684848789691783
Energy: 1.2590551632541018
Energy: 1.2680460350240985
Energy: 1.2045685235279615
Energy: 1.2680460350240985
Energy: 1.2045685235272214
Energy: 1.2680460350248386
Energy: 1.2045685235272214
Energy: 1.1994297486696925
Energy: 1.3052383145873283
Energy: 1.199429748668952
Energy: 1.3052383145873283
Energy: 1.199429748668952
Energy: 1.3052383145880686
Energy: 1.3020262813330192
Energy: 1.2749398609652312
Energy: 1.3020262813330192
Energy: 1.2749398609652312
Energy: 1.3020262813330192
Energy: 1.2749398609652312
Energy: 1.3197179547298041
Energy: 1.260084598176766
Energy: 1.3197179547298041
Energy: 1.260084598176766
Energy: 1.3197179547305447
Energy: 1.260084598176766
Energy: 1.2545397783317478
Energy: 1.3069621711348287
Energy: 1.2545397783317478
Energy: 1.3069621711348287
Energy: 1.2545397783317478
Energy: 1.3069621711348287
Energy: 1.268540351430311
Energy: 1.2558377073474714
Energy: 1.268540351430311
Energy: 1.2558377073467308
Energy: 1.268540351430311
Energy: 1.2558377073474714
Energy: 1.2683262520388112
Energy: 1.2644107504223387
Energy: 1.2683262520388112
Energy: 1.2644107504223387
Energy: 1.2683262520388112
Energy: 1.2644107504223387
Energy: 1.2710413713539976
Energy: 1.3060728691356664
Energy: 1.2710413713539976
Energy: 1.3060728691356664
Energy: 1.2710413713539976
Energy: 1.3060728691356664
Energy: 1.3270807975638335
Energy: 1.3175445331791478
Energy: 1.3270807975638335
Energy: 1.3175445331784073
Energy: 1.3270807975638335
Energy: 1.3175445331784073
Energy: 1.3015686415063294
Energy: 1.2536924118400439
Energy: 1.3015686415063294
Energy: 1.2536924118400439
Energy: 1.3015686415070695
Energy: 1.2536924118400439
Energy: 1.19929562572551
Energy: 1.3158577198323615
Energy: 1.19929562572551
Energy: 1.3158577198323615
Energy: 1.19929562572551
Energy: 1.3158577198323615
Energy: 1.267693222147562
Energy: 1.2052495254990436
Energy: 1.267693222147562
Energy: 1.2052495255005242
Energy: 1.267693222147562
Energy: 1.2052495254960824
Energy: 1.2974712102940475
Energy: 1.2610739905552684
Energy: 1.297471210294788
Energy: 1.2610739905552684
Energy: 1.297471210294788
Energy: 1.2610739905552684
Energy: 1.258305114195801
Energy: 1.2672252921498919
Energy: 1.258305114195801
Energy: 1.2672252921498919
Energy: 1.258305114195801
Energy: 1.2672252921498919
Energy: 1.2509627868104416
Energy: 1.2675019246011279
Energy: 1.2509627868104416
Energy: 1.2675019246011279
Energy: 1.2509627868104416
Energy: 1.2675019246011279
Energy: 1.3605271422652754
Energy: 1.2510575383364417
Energy: 1.3605271422667558
Energy: 1.251057538337182
Energy: 1.3605271422660157
Energy: 1.2510575383364417
Energy: 1.3004177531574097
Energy: 1.2656109911935876
Energy: 1.3004177531566696
Energy: 1.2656109911928475
Energy: 1.3004177531574097
Energy: 1.2656109911928475
Energy: 1.2594512874128339
Energy: 1.2871825019834173
Energy: 1.2594512874135741
Energy: 1.2871825019841576
Energy: 1.2594512874128339
Energy: 1.2871825019834173
Energy: 1.2684848789691783
Energy: 1.2590551632541018
Energy: 1.2684848789691783
Energy: 1.2590551632541018
Energy: 1.2684848789691783
Energy: 1.2590551632541018
Energy: 1.2680460350240985
Energy: 1.2045685235272214
Energy: 1.2680460350240985
Energy: 1.2045685235279615
Energy: 1.2680460350240985
Energy: 1.2045685235272214
Energy: 1.1994297486696925
Energy: 1.3052383145880686
Energy: 1.1994297486696925
Energy: 1.3052383145880686
Energy: 1.1994297486696925
Energy: 1.3052383145873283

minimum gb energy = 1.19929562572551 eV
minimum distance =  2.2925706126768 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.3058460735389965
Energy: 1.2842554661930137
Energy: 1.3058460735389965
Energy: 1.2842554661930137
Energy: 1.3058460735389965
Energy: 1.2842554661930137
Energy: 1.2944078649888522
Energy: 1.2726885881875603
Energy: 1.2944078649882134
Energy: 1.2726885881875603
Energy: 1.2944078649882134
Energy: 1.2726885881875603
Energy: 1.2863068829346347
Energy: 1.2308537903629126
Energy: 1.2863068829346347
Energy: 1.2308537903629126
Energy: 1.2863068829339956
Energy: 1.2308537903629126
Energy: 1.2491459225107173
Energy: 1.2909700848025865
Energy: 1.2491459225107173
Energy: 1.2909700848032255
Energy: 1.2491459225107173
Energy: 1.2909700848025865
Energy: 1.2606802320766983
Energy: 1.3069630503767031
Energy: 1.2606802320766983
Energy: 1.306963050376064
Energy: 1.2606802320766983
Energy: 1.306963050376064
Energy: 1.2834860619282
Energy: 1.2635892189723652
Energy: 1.283486061927561
Energy: 1.2635892189723652
Energy: 1.2834860619288389
Energy: 1.2635892189723652
Energy: 1.2322292831748098
Energy: 1.2860112310607938
Energy: 1.2322292831754489
Energy: 1.2860112310607938
Energy: 1.2322292831748098
Energy: 1.2860112310607938
Energy: 1.265300183092004
Energy: 1.293077763170599
Energy: 1.2653001830926431
Energy: 1.29307776316996
Energy: 1.265300183092004
Energy: 1.29307776316996
Energy: 1.3327611833189643
Energy: 1.2289178008119706
Energy: 1.3327611833189643
Energy: 1.2289178008119706
Energy: 1.3327611833189643
Energy: 1.2289178008119706
Energy: 1.2931679202503785
Energy: 1.2892184908300848
Energy: 1.2931679202503785
Energy: 1.2892184908300848
Energy: 1.2931679202503785
Energy: 1.2892184908300848
Energy: 1.2448417876766975
Energy: 1.2943058004643504
Energy: 1.2448417876773366
Energy: 1.2943058004643504
Energy: 1.2448417876766975
Energy: 1.2943058004643504
Energy: 1.292151652455363
Energy: 1.2281094928597318
Energy: 1.292151652455363
Energy: 1.2281094928597318
Energy: 1.292151652455363
Energy: 1.2281094928597318
Energy: 1.2759485047886536
Energy: 1.2731406318973275
Energy: 1.2759485047886536
Energy: 1.2731406318966882
Energy: 1.2759485047886536
Energy: 1.2731406318966882
Energy: 1.2559089085996062
Energy: 1.2801711658095074
Energy: 1.2559089085996062
Energy: 1.2801711658095074
Energy: 1.2559089085996062
Energy: 1.2801711658101464
Energy: 1.3136082772290993
Energy: 1.2491191154609058
Energy: 1.3136082772290993
Energy: 1.2491191154609058
Energy: 1.3136082772290993
Energy: 1.2491191154609058
Energy: 1.2775342801077179
Energy: 1.222174756145345
Energy: 1.2775342801077179
Energy: 1.2221747561447063
Energy: 1.2775342801077179
Energy: 1.222174756145345
Energy: 1.2477017446053569
Energy: 1.2811173076190259
Energy: 1.247701744605996
Energy: 1.2811173076190259
Energy: 1.2477017446053569
Energy: 1.2811173076190259
Energy: 1.2955559951981088
Energy: 1.2912509840925246
Energy: 1.2955559951981088
Energy: 1.2912509840925246
Energy: 1.2955559951974696
Energy: 1.2912509840925246
Energy: 1.2688715006267037
Energy: 1.2606438706571041
Energy: 1.2688715006267037
Energy: 1.2606438706571041
Energy: 1.2688715006267037
Energy: 1.2606438706571041
Energy: 1.2642873014032174
Energy: 1.2830961203345612
Energy: 1.2642873014025784
Energy: 1.2830961203352003
Energy: 1.2642873014032174
Energy: 1.2830961203345612
Energy: 1.214732269670496
Energy: 1.2930709170467627
Energy: 1.214732269670496
Energy: 1.2930709170467627
Energy: 1.214732269670496
Energy: 1.2930709170467627
Energy: 1.3348613168949424
Energy: 1.2294100741399112
Energy: 1.3348613168943033
Energy: 1.2294100741405503
Energy: 1.3348613168943033
Energy: 1.2294100741405503
Energy: 1.3624414904805966
Energy: 1.2730725465102006
Energy: 1.3624414904805966
Energy: 1.2730725465102006
Energy: 1.3624414904805966
Energy: 1.2730725465102006
Energy: 1.3038904658895092
Energy: 1.2865793276094675
Energy: 1.3038904658895092
Energy: 1.2865793276094675
Energy: 1.3038904658895092
Energy: 1.2865793276088284
Energy: 1.2643787597177345
Energy: 1.230432998646056
Energy: 1.2643787597177345
Energy: 1.230432998646056
Energy: 1.2643787597177345
Energy: 1.230432998646056
Energy: 1.2844455223408608
Energy: 1.2589900669317542
Energy: 1.2844455223408608
Energy: 1.2589900669330323
Energy: 1.2844455223408608
Energy: 1.2589900669323932
Energy: 1.2318830604605382
Energy: 1.2803707212326594
Energy: 1.2318830604605382
Energy: 1.2803707212320203
Energy: 1.2318830604605382
Energy: 1.2803707212326594
Energy: 1.2913265462946917
Energy: 1.261077791380537
Energy: 1.2913265462953307
Energy: 1.2610777913798983
Energy: 1.2913265462946917
Energy: 1.261077791380537
Energy: 1.2826688413040208
Energy: 1.260681848768602
Energy: 1.2826688413033818
Energy: 1.260681848768602
Energy: 1.2826688413033818
Energy: 1.260681848768602

minimum gb energy = 1.214732269670496 eV
minimum distance =  2.26449101710199 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.2287772844637799
Energy: 1.3004567716611437
Energy: 1.2287772844637799
Energy: 1.3004567716605822
Energy: 1.2287772844637799
Energy: 1.3004567716611437
Energy: 1.2810820848735087
Energy: 1.2133083948465802
Energy: 1.2810820848740705
Energy: 1.2133083948477035
Energy: 1.281082084874632
Energy: 1.2133083948460184
Energy: 1.2495333443235699
Energy: 1.1790935679059655
Energy: 1.2495333443235699
Energy: 1.1790935679059655
Energy: 1.2495333443241317
Energy: 1.1790935679059655
Energy: 1.15562519992443
Energy: 1.2467827743364053
Energy: 1.1556251999233067
Energy: 1.2467827743364053
Energy: 1.1556251999238685
Energy: 1.2467827743364053
Energy: 1.2096122825510935
Energy: 1.214059166966795
Energy: 1.2096122825505318
Energy: 1.2140591669673566
Energy: 1.2096122825505318
Energy: 1.2140591669673566
Energy: 1.2657320247054378
Energy: 1.1782447963353462
Energy: 1.265732024704876
Energy: 1.1782447963353462
Energy: 1.265732024704876
Energy: 1.1782447963353462
Energy: 1.210302765105789
Energy: 1.237888124427615
Energy: 1.2103027651046656
Energy: 1.2378881244281765
Energy: 1.2103027651046656
Energy: 1.237888124427615
Energy: 1.1621630380134913
Energy: 1.2545586372783977
Energy: 1.1621630380140529
Energy: 1.254558637275027
Energy: 1.1621630380140529
Energy: 1.2545586372761508
Energy: 1.2639223112002307
Energy: 1.1791943710663184
Energy: 1.2639223111996694
Energy: 1.1791943710657566
Energy: 1.2639223111996694
Energy: 1.1791943710668802
Energy: 1.209019318555755
Energy: 1.281324779725976
Energy: 1.209019318555755
Energy: 1.281324779725414
Energy: 1.2090193185563167
Energy: 1.281324779725976
Energy: 1.1596543620044513
Energy: 1.362461477952293
Energy: 1.1596543620044513
Energy: 1.3624614779517314
Energy: 1.1596543620044513
Energy: 1.362461477952293
Energy: 1.2843384969535436
Energy: 1.2113832437828114
Energy: 1.2843384969535436
Energy: 1.211383243783373
Energy: 1.2843384969541054
Energy: 1.211383243783373
Energy: 1.2490961737052781
Energy: 1.1781532487204625
Energy: 1.2490961737047166
Energy: 1.178153248719901
Energy: 1.2490961737047166
Energy: 1.178153248719901
Energy: 1.2348142590586078
Energy: 1.2758005571697533
Energy: 1.2348142590574842
Energy: 1.2758005571691915
Energy: 1.234814259058046
Energy: 1.2758005571697533
Energy: 1.2802252944147536
Energy: 1.2223673334172227
Energy: 1.2802252944153152
Energy: 1.222367333416661
Energy: 1.2802252944153152
Energy: 1.222367333416661
Energy: 1.2494172025852848
Energy: 1.1775598917922514
Energy: 1.249417202584723
Energy: 1.1775598917928132
Energy: 1.2494172025852848
Energy: 1.1775598917922514
Energy: 1.1564733652258012
Energy: 1.2524009172263004
Energy: 1.1564733652258012
Energy: 1.2524009172257387
Energy: 1.1564733652263628
Energy: 1.2524009172263004
Energy: 1.1602735459536904
Energy: 1.2716674250227928
Energy: 1.1602735459536904
Energy: 1.2716674250227928
Energy: 1.1602735459536904
Energy: 1.2716674250227928
Energy: 1.2452935221656194
Energy: 1.179058866017115
Energy: 1.2452935221678665
Energy: 1.179058866016553
Energy: 1.2452935221729218
Energy: 1.179058866017115
Energy: 1.2172734756390253
Energy: 1.2593335934260341
Energy: 1.2172734756390253
Energy: 1.2593335934254724
Energy: 1.2172734756390253
Energy: 1.2593335934260341
Energy: 1.1599431501451762
Energy: 1.3658355316527202
Energy: 1.1599431501451762
Energy: 1.3658355316527202
Energy: 1.1599431501457378
Energy: 1.3658355316532815
Energy: 1.2724486419936103
Energy: 1.1722381399400243
Energy: 1.2724486419936103
Energy: 1.1722381399400243
Energy: 1.2724486419930487
Energy: 1.1722381399400243
Energy: 1.2703739413035597
Energy: 1.1719464244650777
Energy: 1.2703739413035597
Energy: 1.1719464244645161
Energy: 1.2703739413035597
Energy: 1.1719464244650777
Energy: 1.1555606234101943
Energy: 1.2684753392630719
Energy: 1.155560623409071
Energy: 1.2684753392636339
Energy: 1.1555606234101943
Energy: 1.2684753392619486
Energy: 1.2972915545146462
Energy: 1.224197028431518
Energy: 1.2972915545157693
Energy: 1.2241970284309565
Energy: 1.2972915545146462
Energy: 1.224197028431518
Energy: 1.2505158429145213
Energy: 1.178015394751998
Energy: 1.250515842915083
Energy: 1.178015394751998
Energy: 1.2505158429145213
Energy: 1.178015394751998
Energy: 1.2286445554278236
Energy: 1.2420226221225086
Energy: 1.2286445554267003
Energy: 1.2420226221230704
Energy: 1.2286445554272618
Energy: 1.2420226221225086
Energy: 1.2289497237862177
Energy: 1.2235533603190432
Energy: 1.228949723785656
Energy: 1.2235533603190432
Energy: 1.228949723786779
Energy: 1.2235533603190432
Energy: 1.2686166050857866
Energy: 1.1940886849308265
Energy: 1.2686166050863483
Energy: 1.1940886849313885
Energy: 1.2686166050863483
Energy: 1.1940886849308265
Energy: 1.1595042747941176
Energy: 1.251903014637398
Energy: 1.1595042747941176
Energy: 1.251903014639083
Energy: 1.1595042747941176
Energy: 1.251903014637398
Energy: 1.156426153634225
Energy: 1.2236821735187517
Energy: 1.156426153634225
Energy: 1.2236821735176284
Energy: 1.156426153634225
Energy: 1.2236821735187517
Energy: 1.2723016893148476
Energy: 1.1723930383076377
Energy: 1.2723016893148476
Energy: 1.1723930383070762
Energy: 1.2723016893148476
Energy: 1.1723930383076377
Energy: 1.2879604622946002
Energy: 1.1727690758429161
Energy: 1.2879604622951621
Energy: 1.1727690758429161
Energy: 1.2879604622951621
Energy: 1.1727690758434774

minimum gb energy = 1.155560623409071 eV
minimum distance =  2.27825126586272 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.02044562349566626
Energy: 0.9074151618991286
Energy: 0.02044562349613297
Energy: 0.9074151618986619
Energy: 0.02044562349566626
Energy: 0.9074151618986619
Energy: 0.020980295393369056
Energy: 0.44533874257316286
Energy: 0.02098029539290235
Energy: 0.4453387425736295
Energy: 0.020980295393369056
Energy: 0.44533874257316286
Energy: 0.9080673347101186
Energy: 0.4463440397273591
Energy: 0.9080667360491054
Energy: 0.4463440397264776
Energy: 0.9080680236678826
Energy: 0.4463440397255442
Energy: 0.020980295393369056
Energy: 0.44533874257316286
Energy: 0.020980295393369056
Energy: 0.4453387425736295
Energy: 0.02098029539290235
Energy: 0.44533874257316286

minimum gb energy = 0.02044562349566626 eV
minimum distance =  2.48588804000044 Angstroms
sigma value = 1