Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ni__MO_593762436933_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519618335366251
cohesive_energy=4.4503470714016675
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8512349917553e-19, 2.7130137596512197e-19, 3.3901416704786395e-19, 3.97871727874488e-19, 4.49038840857912e-19, 4.92183855434898e-19, 5.282680775858459e-19, 5.58597281267466e-19, 5.8422569870492995e-19, 6.059592247451399e-19, 6.244323213351599e-19, 6.401737067642099e-19, 6.536255817832739e-19, 6.651580491948059e-19, 6.750627051461939e-19, 6.83555843483028e-19, 6.907848644556359e-19, 6.968555117218619e-19, 7.018543028199419e-19, 7.058821748778181e-19, 7.090096236673861e-19, 7.112270361288419e-19, 7.1253601443882e-19, 7.12963795600098e-19, 7.125087774360419e-19, 7.11036377109396e-19, 7.083927856632958e-19, 7.044065701979039e-19, 6.988742542807019e-19, 6.915603179464919e-19, 6.8218277810769e-19, 6.703939624347179e-19, 6.557532723532259e-19, 6.3768232209834e-19, 6.154104647091059e-19, 5.8789468319679e-19, 5.537522991262499e-19, 5.112064986103799e-19, 4.580270517746519e-19, 3.9143898868897797e-19, 3.07951166467872e-19, 2.02934896815708e-19, 6.9843686005962e-20, -1.011159308543544e-19, -3.2419883971326597e-19, -6.194864020660019e-19]
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: 0.01810591200814465
Energy: 0.15352658329958088
Energy: 0.8118286898871289
Energy: 0.018927731386517075
Energy: 0.153526583298956
Energy: 0.9899510000461645
Energy: 0.153526583298956
Energy: 0.9899510000448413
Energy: 0.8118286898871289
Energy: 0.15352658329958088
Energy: 0.01810591200880632
Energy: 0.153526583298956
Energy: 0.0189277313858554
Energy: 0.9899510000455028
Energy: 0.153526583298956
Energy: 0.9899510000455028

minimum gb energy = 0.01810591200814465 eV
minimum distance =  2.44256988120228 Angstroms
sigma value = 1


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

Energy: 1.6287519975497693
Energy: 1.1714677702086285
Energy: 1.173122756202207
Energy: 1.0900441589129615
Energy: 1.1202527640711424
Energy: 1.207150099938295
Energy: 1.1090078929565192
Energy: 1.2071500999398999
Energy: 1.1744320521319966
Energy: 1.1719529250023901
Energy: 1.1071956914546013
Energy: 1.1719529250031921
Energy: 1.1120490166870955
Energy: 1.1081439400895898
Energy: 1.108847115065822
Energy: 1.1081439400895898
Energy: 1.1700662423607637
Energy: 1.1093936697037432
Energy: 1.1127594067413
Energy: 1.1093936697037432
Energy: 1.1843013739726314
Energy: 1.2418892772724666
Energy: 1.1096598816006364
Energy: 1.2418892772724666
Energy: 1.171324825463833
Energy: 1.2038095714895283
Energy: 1.1700365528336667
Energy: 1.2038095714887258
Energy: 1.174163989317664
Energy: 1.1717656831257308
Energy: 1.2240735896311834
Energy: 1.1717656831281378
Energy: 1.195749611375468
Energy: 1.2727698625768487
Energy: 1.1976251600689245
Energy: 1.2727698625768487
Energy: 1.2219898047969788
Energy: 1.2529525347286425
Energy: 1.1991178871870039
Energy: 1.2529525347286425
Energy: 1.1934767745499075
Energy: 1.2723676541328908
Energy: 1.1971902289912346
Energy: 1.272367654132088
Energy: 1.172379578391864
Energy: 1.272642495473335
Energy: 1.2294166118129901
Energy: 1.272642495473335
Energy: 1.1853576277592512
Energy: 1.204071127270927
Energy: 1.1283794165657683
Energy: 1.204071127270927
Energy: 1.1856219199715006
Energy: 1.2118398724015158
Energy: 1.1795149279213843
Energy: 1.2118398724015158
Energy: 1.1288174334507723
Energy: 1.10787171186688
Energy: 1.1081726122796478
Energy: 1.1078717118660775
Energy: 1.0857601152553908
Energy: 1.108226773934757
Energy: 1.107802519042609
Energy: 1.1082267739315472
Energy: 1.1707485224923955
Energy: 1.1700299446424478
Energy: 1.083872267830628
Energy: 1.1700299446408429
Energy: 1.1088837045491982
Energy: 1.1087992770414061
Energy: 1.1301754517348257
Energy: 1.1087992770406037
Energy: 1.1080231989996154
Energy: 1.1737844534427253
Energy: 1.1723348564349323
Energy: 1.1737844534419226
Energy: 1.1697857230342936
Energy: 1.1086088771044644
Energy: 1.111674468636743
Energy: 1.1086088771044644
Energy: 1.1089990253355297
Energy: 1.109529605502203
Energy: 1.168661420135985
Energy: 1.1095296055014003
Energy: 1.1092103598063565
Energy: 1.108316630739933
Energy: 1.184772680794834
Energy: 1.108316630741538
Energy: 1.1690404082165597
Energy: 1.2069972801858238
Energy: 1.1698258883418349
Energy: 1.206997280187429
Energy: 1.2244155073361467
Energy: 1.2062286341399455
Energy: 1.1731820887206994
Energy: 1.2062286341415502
Energy: 1.199477817702298
Energy: 1.27563640446091
Energy: 1.196702693123058
Energy: 1.27563640446091
Energy: 1.201004504699512
Energy: 1.269439910467005
Energy: 1.2241130899199144
Energy: 1.269439910467005
Energy: 1.1974105347445907
Energy: 1.271788830818136
Energy: 1.1946210461418976
Energy: 1.2717888308189385
Energy: 1.226050620058379
Energy: 1.2727594906946709
Energy: 1.1722783681370779
Energy: 1.2727594906938684
Energy: 1.129253294883352
Energy: 1.2060039693370959
Energy: 1.1863544311783225
Energy: 1.2060039693378986
Energy: 1.179251933245883
Energy: 1.2032298170527271
Energy: 1.1736841063375865
Energy: 1.2032298170511222
Energy: 1.1073587863719547
Energy: 1.1076186495345546
Energy: 1.1283931265442724
Energy: 1.107618649535357
Energy: 1.1078805491705785
Energy: 1.1084070864069888
Energy: 1.0856380189196562
Energy: 1.1084070864061863
Energy: 1.0840160648558221
Energy: 1.1706606195522231
Energy: 1.1701504842286037
Energy: 1.1706606195514209

minimum gb energy = 1.083872267830628 eV
minimum distance =  2.24548856248783 Angstroms
sigma value = 1


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

Energy: 1.8396549560401119
Energy: 1.2285793684758641
Energy: 1.230159949963986
Energy: 1.135016618373389
Energy: 1.175894611606952
Energy: 1.261584008007507
Energy: 1.159890293898134
Energy: 1.2615840080029321
Energy: 1.227587675811627
Energy: 1.2294356774402697
Energy: 1.1579162364135076
Energy: 1.2294356774411845
Energy: 1.1657971510492238
Energy: 1.1593704287785918
Energy: 1.1598719293050537
Energy: 1.1593704287785918
Energy: 1.1583064491713972
Energy: 1.1607021086993963
Energy: 1.1601347840753735
Energy: 1.160702108703056
Energy: 1.25225942821613
Energy: 1.303944254570824
Energy: 1.1620715081463422
Energy: 1.3039442545726536
Energy: 1.2365794891598612
Energy: 1.2735427803766506
Energy: 1.2317796520781727
Energy: 1.2735427803784805
Energy: 1.237521028166423
Energy: 1.2787375303626798
Energy: 1.2914699587299205
Energy: 1.2787375303672543
Energy: 1.235056113648925
Energy: 1.339901408752006
Energy: 1.2528071121901452
Energy: 1.339901408752921
Energy: 1.2942128267215065
Energy: 1.3352833859726083
Energy: 1.2354732112304943
Energy: 1.3352833859817579
Energy: 1.18803814019023
Energy: 1.2732684539302193
Energy: 1.2609805520931072
Energy: 1.2732684539228996
Energy: 1.1885068259091955
Energy: 1.2755983276602734
Energy: 1.2534734543852102
Energy: 1.2755983276611884
Energy: 1.1607377230111267
Energy: 1.1600336654303665
Energy: 1.1881709671009733
Energy: 1.1600336654312813
Energy: 1.1592041255280765
Energy: 1.1603538044272188
Energy: 1.1287789339889864
Energy: 1.1603538044189843
Energy: 1.1275227931774283
Energy: 1.2264893772898713
Energy: 1.2278168017523963
Energy: 1.2264893772907863
Energy: 1.1901213030554458
Energy: 1.1597495597770136
Energy: 1.1594660988999739
Energy: 1.1597495597843333
Energy: 1.229466529667665
Energy: 1.2307508367672748
Energy: 1.1576593616501838
Energy: 1.2307508367691047
Energy: 1.1653600838825149
Energy: 1.159301437270807
Energy: 1.163772146631003
Energy: 1.1593014372662322
Energy: 1.1594192711818256
Energy: 1.1606873964083404
Energy: 1.1616716777520908
Energy: 1.1606873964074254
Energy: 1.2533753999128845
Energy: 1.1607253152531918
Energy: 1.1619827059373475
Energy: 1.1607253152504466
Energy: 1.2331748116185521
Energy: 1.2788523307489776
Energy: 1.2326017704938677
Energy: 1.2788523307480628
Energy: 1.2347492702659912
Energy: 1.2780221186870855
Energy: 1.292483939328434
Energy: 1.2780221186870855
Energy: 1.234283472561828
Energy: 1.3415194677821283
Energy: 1.2540095843091252
Energy: 1.3415194677812132
Energy: 1.29311122998034
Energy: 1.3392702249955526
Energy: 1.2360070270910717
Energy: 1.3392702249928492
Energy: 1.1884853051685682
Energy: 1.2735994543985163
Energy: 1.2625404361004344
Energy: 1.273599454404006
Energy: 1.1887909428434416
Energy: 1.2747335628193737
Energy: 1.2547022655581146
Energy: 1.274733562810224
Energy: 1.1597342437782363
Energy: 1.160144860240584
Energy: 1.1871233019460345
Energy: 1.1601448602424136
Energy: 1.1593002692722603
Energy: 1.1606180044468326
Energy: 1.128853402441698
Energy: 1.1606180044504926
Energy: 1.1274239875918908
Energy: 1.1662805597410948
Energy: 1.2268508053658955
Energy: 1.1662805597401797

minimum gb energy = 1.1274239875918908 eV
minimum distance =  2.20972276189658 Angstroms
sigma value = 25


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

Energy: 1.7618302347142594
Energy: 1.2918154666320028
Energy: 1.291583198115652
Energy: 1.183032274449839
Energy: 1.241286921369246
Energy: 1.317884050988346
Energy: 1.2181086815231796
Energy: 1.317884050988346
Energy: 1.290289898652958
Energy: 1.2911261672651906
Energy: 1.2155732314197654
Energy: 1.2911261672651906
Energy: 1.2260223272671154
Energy: 1.2188138027824214
Energy: 1.2180057311568435
Energy: 1.2188138027802942
Energy: 1.215462575025512
Energy: 1.2183653075987966
Energy: 1.2194469083475983
Energy: 1.2183653075987966
Energy: 1.2259720510145748
Energy: 1.2178420332693598
Energy: 1.2178497555267482
Energy: 1.2178420332682962
Energy: 1.2993419904261168
Energy: 1.3610883107372542
Energy: 1.2964860518952122
Energy: 1.3610883107361909
Energy: 1.2986734314760706
Energy: 1.3659848113681847
Energy: 1.1984996608113507
Energy: 1.3659848113681847
Energy: 1.2989698321383898
Energy: 1.3606148426856928
Energy: 1.2616029804316093
Energy: 1.3606148426835656
Energy: 1.2282371922783495
Energy: 1.361306056683911
Energy: 1.2173805882201365
Energy: 1.3613060566828474
Energy: 1.173075280951865
Energy: 1.2181102471000285
Energy: 1.2195435509254413
Energy: 1.2181102471010918
Energy: 1.173626463584787
Energy: 1.2183794359583
Energy: 1.2180440013119571
Energy: 1.2183794359583
Energy: 1.2905994661575788
Energy: 1.289301203762149
Energy: 1.172681521825276
Energy: 1.2893012037632128
Energy: 1.2179609750878164
Energy: 1.2273168509822692
Energy: 1.2617696274977805
Energy: 1.2273168509843964
Energy: 1.216089365864562
Energy: 1.2937879884116494
Energy: 1.294219389620934
Energy: 1.2937879884116494
Energy: 1.2238209298834384
Energy: 1.2181457736595318
Energy: 1.2270783725487315
Energy: 1.2181457736595318
Energy: 1.217400462994515
Energy: 1.227055407096408
Energy: 1.2160778746185748
Energy: 1.2270554070974715
Energy: 1.2177267124195457
Energy: 1.2179093678544965
Energy: 1.2256715876160627
Energy: 1.217909367853433
Energy: 1.2959140891543286
Energy: 1.3650834950819948
Energy: 1.3018255516845938
Energy: 1.365083495084122
Energy: 1.1973274579888353
Energy: 1.3646664376577873
Energy: 1.2989594930591706
Energy: 1.3646664376588509
Energy: 1.2582448568179272
Energy: 1.3599688672326389
Energy: 1.2989976228716533
Energy: 1.3599688672305117
Energy: 1.260427049354994
Energy: 1.3609061176064594
Energy: 1.3353899269015381
Energy: 1.3609061176075232
Energy: 1.2181931039845004
Energy: 1.2178170577318121
Energy: 1.1737452634957046
Energy: 1.2178170577339393
Energy: 1.21749088571168
Energy: 1.2179849063067514
Energy: 1.1740128128199672
Energy: 1.2179849063088788
Energy: 1.1724601343180645
Energy: 1.2264912845637137
Energy: 1.2894138379930864
Energy: 1.2264912845637137

minimum gb energy = 1.1724601343180645 eV
minimum distance =  2.21101348021843 Angstroms
sigma value = 9


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

Energy: 1.6447263124554432
Energy: 1.3588607990695143
Energy: 1.3594007968456752
Energy: 1.2312220113487475
Energy: 1.322012737205594
Energy: 1.373974420421609
Energy: 1.2863463882497177
Energy: 1.373974420424147
Energy: 1.3582254112983796
Energy: 1.3565247804113019
Energy: 1.3523719785966097
Energy: 1.3565247804125704
Energy: 1.2892362031039426
Energy: 1.3754913979327414
Energy: 1.2864092031349663
Energy: 1.3754913979340102
Energy: 1.2834581533805582
Energy: 1.2864752759488536
Energy: 1.2904415068325408
Energy: 1.2864752759501223
Energy: 1.2918322809404266
Energy: 1.2871432629885342
Energy: 1.289156752754116
Energy: 1.2871432629898034
Energy: 1.3517925614467285
Energy: 1.4452021162543454
Energy: 1.2866382587657317
Energy: 1.4452021162530766
Energy: 1.2898529971994097
Energy: 1.453058984856885
Energy: 1.2866680010565572
Energy: 1.4530589848619604
Energy: 1.2857877702078853
Energy: 1.286465788966725
Energy: 1.2163250276819149
Energy: 1.286465788966725
Energy: 1.2860696092140076
Energy: 1.286831423509657
Energy: 1.2162121100506573
Energy: 1.2868314235045817
Energy: 1.2144451442556488
Energy: 1.3554556951733256
Energy: 1.3548145467474162
Energy: 1.3554556951720569
Energy: 1.3547865477300012
Energy: 1.2944497024435777
Energy: 1.354572230072919
Energy: 1.2944497024410404
Energy: 1.3640991215505258
Energy: 1.3554054804424676
Energy: 1.354606338129748
Energy: 1.3554054804424676
Energy: 1.3564782884072626
Energy: 1.2865072139590081
Energy: 1.3540584155156807
Energy: 1.2865072139564704
Energy: 1.283008977986167
Energy: 1.2941467985528174
Energy: 1.297998852053951
Energy: 1.2941467985528174
Energy: 1.2930820402809444
Energy: 1.2884439020342406
Energy: 1.2972586771051153
Energy: 1.2884439020342406
Energy: 1.3553625243306278
Energy: 1.4479339748602957
Energy: 1.291063887478011
Energy: 1.4479339748602957
Energy: 1.3556738473467655
Energy: 1.4459569418082137
Energy: 1.2872125004464416
Energy: 1.4459569418018983
Energy: 1.284251012764674
Energy: 1.286185915120413
Energy: 1.2157133237994484
Energy: 1.286185915121682
Energy: 1.2872051165128968
Energy: 1.286801596167718
Energy: 1.2162998334378405
Energy: 1.2868015961651804
Energy: 1.2142716553309345
Energy: 1.2894945141826566
Energy: 1.3534348014409692
Energy: 1.2894945141826566

minimum gb energy = 1.2142716553309345 eV
minimum distance =  2.24660138699248 Angstroms
sigma value = 25


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

Energy: 1.476874544142151
Energy: 1.4324372894071484
Energy: 1.4324624150846734
Energy: 1.2738313269248462
Energy: 1.4275244820735031
Energy: 1.3756637223518051
Energy: 1.4256511271366001
Energy: 1.3756637223533743
Energy: 1.430990523415357
Energy: 1.4281390877761648
Energy: 1.4246600505935392
Energy: 1.4281390877761648
Energy: 1.4299467759609485
Energy: 1.376137806054207
Energy: 1.3011308303665283
Energy: 1.3761378060526377
Energy: 1.3645465776830334
Energy: 1.3753265412495854
Energy: 1.3001733812584957
Energy: 1.3753265412495854
Energy: 1.263161901133385
Energy: 1.3733563140820997
Energy: 1.2984659978225361
Energy: 1.3733563140820997
Energy: 1.2556969616785436
Energy: 1.377496842296774
Energy: 1.3027553136225603
Energy: 1.377496842296774
Energy: 1.2563327047273238
Energy: 1.3767851845475143
Energy: 1.3011613191437115
Energy: 1.3767851845475143
Energy: 1.4258596312789178
Energy: 1.4265725652738688
Energy: 1.5855171566032515
Energy: 1.4265725652738688
Energy: 1.4258702319221184
Energy: 1.266002233710415
Energy: 1.424870793139848
Energy: 1.266002233710415
Energy: 1.428556730391704
Energy: 1.4266689516920428
Energy: 1.438402453174443
Energy: 1.4266689516920428
Energy: 1.4266137893446809
Energy: 1.3778591479644704
Energy: 1.4269171984201932
Energy: 1.3778591479644704
Energy: 1.2998519531348731
Energy: 1.3014659092302865
Energy: 1.3645112568082596
Energy: 1.3014659092302865
Energy: 1.3008191729346024
Energy: 1.377092047930439
Energy: 1.2652189156734088
Energy: 1.377092047932008
Energy: 1.369049409411454
Energy: 1.374998471652197
Energy: 1.255965695024514
Energy: 1.374998471652197
Energy: 1.2999429697467548
Energy: 1.4500834456724812
Energy: 1.2560561608234724
Energy: 1.4500834456724812
Energy: 1.5866446200026703
Energy: 1.2639134831917327
Energy: 1.4238099569647835
Energy: 1.2639134831917327

minimum gb energy = 1.2556969616785436 eV
minimum distance =  2.27549349739596 Angstroms
sigma value = 17


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

Energy: 1.9950130470050096
Energy: 1.564503339315284
Energy: 1.5645447362358964
Energy: 1.466089039728452
Energy: 1.3286087235480009
Energy: 1.390443662432538
Energy: 1.4828251970026263
Energy: 1.3904436624334267
Energy: 1.3742556345591963
Energy: 1.3737118483872834
Energy: 1.558931451190992
Energy: 1.3737118483872834
Energy: 1.3740279286576178
Energy: 1.3739359053418598
Energy: 1.3899686957829482
Energy: 1.3739359053400826
Energy: 1.3723771241191618
Energy: 1.4918218307415059
Energy: 1.293928816936155
Energy: 1.491821830740617
Energy: 1.373430669052503
Energy: 1.4500667730038104
Energy: 1.3728708662776852
Energy: 1.4500667730064765
Energy: 1.4460340020186306
Energy: 1.3714273710538907
Energy: 1.3756781829986893
Energy: 1.3714273710538907
Energy: 1.6655875946243506
Energy: 1.3901850971109386
Energy: 1.3728963910597947
Energy: 1.3901850971127157
Energy: 1.5731080483668114
Energy: 1.5593982140371438
Energy: 1.5583543535850746
Energy: 1.5593982140380325
Energy: 1.5567916533407096
Energy: 1.4852623200428265
Energy: 1.4816092507820504
Energy: 1.4852623200428265
Energy: 1.3702211746810733
Energy: 1.3236771779271879
Energy: 1.3218152159035357
Energy: 1.3236771779271879
Energy: 1.5796503501027919
Energy: 1.3581228784720496
Energy: 1.3274755950153905
Energy: 1.358122878471161
Energy: 1.4463369700182436
Energy: 1.3572544579856718
Energy: 1.3554403510977673
Energy: 1.3572544579856718
Energy: 1.4465521399649737
Energy: 1.3572539679571305
Energy: 1.3231575555615895
Energy: 1.3572539679562416
Energy: 1.5576857484859397
Energy: 1.576626033748725
Energy: 1.6647860938557082
Energy: 1.5766260337478364
Energy: 1.5787875286052493
Energy: 1.5567374505475169
Energy: 1.6653539722266173
Energy: 1.5567374505492941
Energy: 1.5593383650022168
Energy: 1.372123929148104
Energy: 1.3728141538320586
Energy: 1.3721239291489926
Energy: 1.5589119702462857
Energy: 1.3723434168544861
Energy: 1.3694268558570055
Energy: 1.3723434168544861
Energy: 1.372304623366984
Energy: 1.4929807710488012
Energy: 1.372851265520218
Energy: 1.4929807710479126
Energy: 1.4138461807324574
Energy: 1.4915527438764824
Energy: 1.3723706679097756
Energy: 1.491552743877371
Energy: 1.3729784789837436
Energy: 1.373374639607293
Energy: 1.5971334233674501
Energy: 1.3733746396055158
Energy: 1.3738424829962088
Energy: 1.375085868277847
Energy: 1.4470756436370906
Energy: 1.3750858682769587
Energy: 1.4817612992532299
Energy: 1.4854881977281096
Energy: 1.5740905650301251
Energy: 1.4854881977281096
Energy: 1.5578220802397489
Energy: 1.5595749276847883
Energy: 1.5594146655886887
Energy: 1.559574927685677
Energy: 1.3523118235599516
Energy: 1.3576257824645825
Energy: 1.5621923968996683
Energy: 1.3576257824645825
Energy: 1.3274388970432198
Energy: 1.3587069755368815
Energy: 1.3704215415462881
Energy: 1.3587069755368815
Energy: 1.321568194205383
Energy: 1.3261961439325682
Energy: 1.4474991612589905
Energy: 1.3261961439325682
Energy: 1.3253671539592116
Energy: 1.3575960871533188
Energy: 1.4475277847113417
Energy: 1.3575960871542074
Energy: 1.3549462086044233
Energy: 1.355765171904948
Energy: 1.4461629273781198
Energy: 1.355765171904948
Energy: 1.6642426544168707
Energy: 1.5597458697623492
Energy: 1.5616181227902062
Energy: 1.5597458697641267

minimum gb energy = 1.293928816936155 eV
minimum distance =  2.23077081978305 Angstroms
sigma value = 53


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

Energy: 1.8227544263723994
Energy: 1.4656891984904685
Energy: 1.4675218691744134
Energy: 1.2549941958266828
Energy: 1.446921271783143
Energy: 1.3336694039402905
Energy: 1.4487950856447953
Energy: 1.3336694039402905
Energy: 1.450498290739575
Energy: 1.4510144425704674
Energy: 1.4628579354951652
Energy: 1.4510144425725136
Energy: 1.452590524260966
Energy: 1.3354797958806874
Energy: 1.4454902427102876
Energy: 1.3354797958786415
Energy: 1.470017935629171
Energy: 1.3341978239993226
Energy: 1.2314547359382813
Energy: 1.3341978240013683
Energy: 1.4459480804121396
Energy: 1.337336596238554
Energy: 1.232459745311596
Energy: 1.337336596238554
Energy: 1.649949934230933
Energy: 1.4478904478338712
Energy: 1.4482833990860982
Energy: 1.4478904478359171
Energy: 1.6472614974425266
Energy: 1.4485476621911602
Energy: 1.4445998409717165
Energy: 1.448547662193206
Energy: 1.4544260544068164
Energy: 1.448967338491884
Energy: 1.4645328801747122
Energy: 1.4489673384898383
Energy: 1.4444943660629308
Energy: 1.3361080358366413
Energy: 1.4527528764635445
Energy: 1.3361080358345956
Energy: 1.4701072957642722
Energy: 1.3393102439562128
Energy: 1.2558740383025644
Energy: 1.339310243954167
Energy: 1.451507332197868
Energy: 1.3336031208168653
Energy: 1.2325745996615225
Energy: 1.3336031208189112
Energy: 1.6474424927587346
Energy: 1.4462138575363401
Energy: 1.4431549501773617
Energy: 1.4462138575363401

minimum gb energy = 1.2314547359382813 eV
minimum distance =  2.26054487583976 Angstroms
sigma value = 9


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

Energy: 1.7784195196574086
Energy: 1.6333393460453505
Energy: 1.6376054040169765
Energy: 1.5087552714246322
Energy: 1.3836576048574178
Energy: 1.3452714172980471
Energy: 1.6207504929450292
Energy: 1.3452714172957754
Energy: 1.3525694599142304
Energy: 1.3499754328536964
Energy: 1.6553698088300104
Energy: 1.3499754328544535
Energy: 1.3497877879171325
Energy: 1.3473887873048895
Energy: 1.7124471816686984
Energy: 1.3473887873071613
Energy: 1.348019606944835
Energy: 1.3451113094952325
Energy: 1.701637469761514
Energy: 1.3451113094952325
Energy: 1.3448404991601866
Energy: 1.345542786705417
Energy: 1.7012652087017754
Energy: 1.345542786705417
Energy: 1.622701755379812
Energy: 1.5985249530147403
Energy: 1.618143845635077
Energy: 1.5985249530162549
Energy: 1.6240668145221582
Energy: 1.5986655844126554
Energy: 1.5987253918431226
Energy: 1.598665584411898
Energy: 1.4204842648966742
Energy: 1.5257863522836546
Energy: 1.4404812476620485
Energy: 1.5257863522844115
Energy: 1.3400120101699262
Energy: 1.445756710982667
Energy: 1.5995451464146182
Energy: 1.445756710985696
Energy: 1.4178149382560914
Energy: 1.4189531160487852
Energy: 1.489707821359941
Energy: 1.4189531160495426
Energy: 1.4314768487164726
Energy: 1.4218430106199602
Energy: 1.7008949684320598
Energy: 1.421843010617689
Energy: 1.6261536943586423
Energy: 1.4187655212383403
Energy: 1.4352991896651788
Energy: 1.4187655212383403
Energy: 1.6250189108992157
Energy: 1.4196787994129383
Energy: 1.4243540230621767
Energy: 1.4196787994121811
Energy: 1.599232113573885
Energy: 1.4459877713852283
Energy: 1.4312484895104407
Energy: 1.4459877713844709
Energy: 1.5394117868690897
Energy: 1.5151729006449621
Energy: 1.4301959496304373
Energy: 1.5151729006449621
Energy: 1.5997922642870372
Energy: 1.500427687032114
Energy: 1.4227533047546437
Energy: 1.5004276870343858
Energy: 1.597859658431524
Energy: 1.59968568730371
Energy: 1.7768720568274032
Energy: 1.5996856873029526
Energy: 1.620330770901708
Energy: 1.3461524986577822
Energy: 1.3415370866728304
Energy: 1.3461524986562678
Energy: 1.659429613455199
Energy: 1.3521582780805703
Energy: 1.3610059654546032
Energy: 1.3521582780782988
Energy: 1.7150147952595018
Energy: 1.3473328282420813
Energy: 1.3459638398190088
Energy: 1.3473328282428385
Energy: 1.7012661002266984
Energy: 1.3446437820078863
Energy: 1.3454347460595082
Energy: 1.344643782010158
Energy: 1.7019434710390113
Energy: 1.3463753518784929
Energy: 1.344986545504064
Energy: 1.3463753518769783
Energy: 1.621081816103561
Energy: 1.5983436113269571
Energy: 1.6227540037435997
Energy: 1.5983436113269571
Energy: 1.6005619086966922
Energy: 1.598975356842935
Energy: 1.6232199959180844
Energy: 1.5989753568436922
Energy: 1.4412685030635475
Energy: 1.609141504851387
Energy: 1.42086171460791
Energy: 1.6091415048536586
Energy: 1.6014917968793587
Energy: 1.445874474839463
Energy: 1.3390559662164194
Energy: 1.445874474839463
Energy: 1.4890934088630614
Energy: 1.4200680719882899
Energy: 1.4192135554937937
Energy: 1.4200680719867753
Energy: 1.7002193084220043
Energy: 1.4243286990838517
Energy: 1.4310077703993294
Energy: 1.4243286990861235
Energy: 1.4351570912797327
Energy: 1.4190736217126008
Energy: 1.6281855174907072
Energy: 1.4190736217148725
Energy: 1.4275611821727252
Energy: 1.4208565867423872
Energy: 1.5986959419630296
Energy: 1.4208565867423872
Energy: 1.42220138429698
Energy: 1.4398468214858067
Energy: 1.5996917454745152
Energy: 1.4398468214865638
Energy: 1.4309256778665427
Energy: 1.5256087723278144
Energy: 1.5369673694900643
Energy: 1.5256087723278144
Energy: 1.4210469187905843
Energy: 1.5150224054693675
Energy: 1.4911759752963385
Energy: 1.515022405470882
Energy: 1.7034706920461986
Energy: 1.59873031492719
Energy: 1.59757253478271
Energy: 1.59873031492719

minimum gb energy = 1.3390559662164194 eV
minimum distance =  2.22851744573067 Angstroms
sigma value = 73


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

Energy: 1.8987293614772467
Energy: 1.5859573697324294
Energy: 1.5867166642551527
Energy: 1.426678271820108
Energy: 1.37851620247475
Energy: 1.3763551034265562
Energy: 1.5283759764103497
Energy: 1.3763551034265562
Energy: 1.3810993962743454
Energy: 1.3809821715347506
Energy: 1.606898188617067
Energy: 1.380982171532348
Energy: 1.3783506456493086
Energy: 1.3777989953358603
Energy: 1.6870698087684823
Energy: 1.3777989953334575
Energy: 1.3798992013508595
Energy: 1.3792317652446067
Energy: 1.6991923219269098
Energy: 1.379231765243405
Energy: 1.4708190411615076
Energy: 1.378017244810908
Energy: 1.6106412843320832
Energy: 1.3780172448097068
Energy: 1.5090881040827238
Energy: 1.5722707814968595
Energy: 1.599058848716293
Energy: 1.5722707814968595
Energy: 1.4482664580575844
Energy: 1.5733041620783248
Energy: 1.5754631694215422
Energy: 1.5733041620771233
Energy: 1.4361430653753517
Energy: 1.5444600311371286
Energy: 1.5784900838470122
Energy: 1.5444600311383299
Energy: 1.4339517636088874
Energy: 1.405607499429493
Energy: 1.5729592984987204
Energy: 1.4056074994282912
Energy: 1.4535478101122896
Energy: 1.353647733197001
Energy: 1.3468052699579192
Energy: 1.3536477331982022
Energy: 1.427317071117125
Energy: 1.3533327048277235
Energy: 1.6543460043424898
Energy: 1.3533327048301265
Energy: 1.5789410036523637
Energy: 1.4693507405162327
Energy: 1.4160776090500873
Energy: 1.4693507405186357
Energy: 1.5811076937570212
Energy: 1.4406129711816815
Energy: 1.4333243768143835
Energy: 1.4406129711816815
Energy: 1.6053777475174449
Energy: 1.4155962683460062
Energy: 1.4211154273616693
Energy: 1.415596268344805
Energy: 1.6631239711320112
Energy: 1.418536327133444
Energy: 1.418399071189798
Energy: 1.4185363271322424
Energy: 1.6073315386440845
Energy: 1.4170223155422508
Energy: 1.4345718291987284
Energy: 1.4170223155434523
Energy: 1.5301248763159128
Energy: 1.5311894938928257
Energy: 1.50939727138531
Energy: 1.5311894938940271
Energy: 1.5367430930137462
Energy: 1.4877830485343386
Energy: 1.448385922691487
Energy: 1.4877830485355399
Energy: 1.5453649654286958
Energy: 1.487409646164072
Energy: 1.5311581680651787
Energy: 1.487409646164072
Energy: 1.5351700022737076
Energy: 1.4849474079435143
Energy: 1.4363505360101418
Energy: 1.4849474079435143
Energy: 1.6052135747972227
Energy: 1.5286376694795114
Energy: 1.5304259310007953
Energy: 1.5286376694795114

minimum gb energy = 1.3468052699579192 eV
minimum distance =  2.21711617149194 Angstroms
sigma value = 7


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

Energy: 2.2149608176576225
Energy: 1.515819007861113
Energy: 1.583901108432792
Energy: 1.3867273380254348
Energy: 1.443523471920124
Energy: 1.3800390803661713
Energy: 1.5205694211711451
Energy: 1.3800390803661713
Energy: 1.397161179845387
Energy: 1.3882496603918555
Energy: 1.5069573527999567
Energy: 1.388249660387608
Energy: 1.3783681613410144
Energy: 1.3775721089265185
Energy: 1.6715276253039448
Energy: 1.3775721089265185
Energy: 1.3897689883816684
Energy: 1.3872668070315666
Energy: 1.6230052767725602
Energy: 1.3872668070349647
Energy: 1.3751819931660552
Energy: 1.3870643481613252
Energy: 1.6216618569594021
Energy: 1.3870643481596259
Energy: 1.6189760743648882
Energy: 1.390886215412765
Energy: 1.3759473148241212
Energy: 1.3908862154093669
Energy: 1.5147991300951005
Energy: 1.3871879684948254
Energy: 1.386520746718913
Energy: 1.3871879684948254
Energy: 1.6207362095008009
Energy: 1.3759738711551797
Energy: 1.3748402556856258
Energy: 1.3759738711509322
Energy: 1.6326411184418768
Energy: 1.391437673417127
Energy: 1.3868473640969372
Energy: 1.3914376734179765
Energy: 1.5194130713204883
Energy: 1.523053954829091
Energy: 1.3721099562521757
Energy: 1.523053954835887
Energy: 1.5213236200363067
Energy: 1.5215149149400837
Energy: 1.6183227167505443
Energy: 1.5215149149392342
Energy: 1.5209227528784703
Energy: 1.4775394722784732
Energy: 1.5205513615242083
Energy: 1.4775394722810216
Energy: 1.5096347814089353
Energy: 1.4691932859937393
Energy: 1.3936852992972648
Energy: 1.4691932859971373
Energy: 1.5273604438263249
Energy: 1.4752665162953835
Energy: 1.411867616377599
Energy: 1.475266516294534
Energy: 1.6112572635757954
Energy: 1.5221058767076183
Energy: 1.522762347669039
Energy: 1.522105876705919
Energy: 1.4095017947699824
Energy: 1.521389550094955
Energy: 1.5134530219602613
Energy: 1.5213895500966539
Energy: 1.3869003510650915
Energy: 1.3875578416410224
Energy: 1.506292122141933
Energy: 1.387557841638474
Energy: 1.3710257368278198
Energy: 1.3765232283004267
Energy: 1.5176765224768232
Energy: 1.3765232282944802
Energy: 1.3863030819166124
Energy: 1.3867283963743275
Energy: 1.5044030097696328
Energy: 1.3867283963760266
Energy: 1.3762919861564313
Energy: 1.3908653286272081
Energy: 1.625624388734044
Energy: 1.3908653286280577
Energy: 1.5129314001839955
Energy: 1.3874214409611796
Energy: 1.3752111148978288
Energy: 1.3874214409611796
Energy: 1.6151081081122056
Energy: 1.3877346316873302
Energy: 1.3900718148708966
Energy: 1.38773463168818
Energy: 1.6655693427068976
Energy: 1.3780759033571912
Energy: 1.3774826654956431
Energy: 1.3780759033605894
Energy: 1.6320047416436336
Energy: 1.3876287393349735
Energy: 1.3972781353729669
Energy: 1.3876287393332745
Energy: 1.6283675389740975
Energy: 1.3775075528658747
Energy: 1.3924671227003755
Energy: 1.3775075528641756
Energy: 1.5187120741285933
Energy: 1.521350557078211
Energy: 1.9200141398221788
Energy: 1.5213505570773616
Energy: 1.5195257299885394
Energy: 1.47892964468833
Energy: 1.522091926940899
Energy: 1.47892964468833
Energy: 1.5112205588963301
Energy: 1.472392132248662
Energy: 1.5232952379014735
Energy: 1.4723921322503606
Energy: 1.5237574948907373
Energy: 1.4713996267317646
Energy: 1.394248126140423
Energy: 1.4713996267351626
Energy: 1.6021897175816668
Energy: 1.5196674775132903
Energy: 1.5198400255898354
Energy: 1.5196674775149894

minimum gb energy = 1.3710257368278198 eV
minimum distance =  2.19935297643655 Angstroms
sigma value = 29


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

Energy: 1.293644706319857
Energy: 1.575116255683993
Energy: 1.3444979377135182
Energy: 1.2954250096329023
Energy: 1.3392152126871848
Energy: 1.4560928596808849
Energy: 1.3414079436158668
Energy: 1.4560928596811809
Energy: 1.3348640610699738
Energy: 1.4097886939488438
Energy: 1.3022493772110428
Energy: 1.4097886939473974
Energy: 1.3022050768210078
Energy: 1.3318590678282811
Energy: 1.3426914021794825
Energy: 1.3318590678276891
Energy: 1.336516239511852
Energy: 1.3357120977684707
Energy: 1.2996795242375083
Energy: 1.3357120977681747
Energy: 1.3420062175828575
Energy: 1.4347456273076578
Energy: 1.3007063865014339
Energy: 1.4347456273079533
Energy: 1.3005075571557798
Energy: 1.4151944443294926
Energy: 1.335431016690409
Energy: 1.4151944443300515
Energy: 1.3383149307557385
Energy: 1.3408640810473123
Energy: 1.302863888100132
Energy: 1.3408640810464245
Energy: 1.3020059287416097
Energy: 1.3341717916234013
Energy: 1.3419765163804185
Energy: 1.3341717916236973

minimum gb energy = 1.293644706319857 eV
minimum distance =  2.23853783646251 Angstroms
sigma value = 5


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

Energy: 1.7744347714722435
Energy: 1.3001635139105692
Energy: 1.5079135887669413
Energy: 1.267331695089716
Energy: 1.3816106191106161
Energy: 1.302796589686756
Energy: 1.5252968363840078
Energy: 1.3027965896883609
Energy: 1.5252529480407422
Energy: 1.4101364140725883
Energy: 1.5265775808532087
Energy: 1.4101364140709833
Energy: 1.3252741524952607
Energy: 1.2950976780610548
Energy: 1.4792549464405846
Energy: 1.2950976780642645
Energy: 1.47824092733047
Energy: 1.2963995988391779
Energy: 1.5220448182538597
Energy: 1.296399598837573
Energy: 1.297208835159994
Energy: 1.2982771970542195
Energy: 1.5192361796156026
Energy: 1.298277197051812
Energy: 1.2968460138968958
Energy: 1.295595296112332
Energy: 1.4809083905412117
Energy: 1.2955952961131347
Energy: 1.2994607812133203
Energy: 1.3028550019725846
Energy: 1.7015581865489504
Energy: 1.3028550019718552
Energy: 1.326269192677187
Energy: 1.351575073436038
Energy: 1.7060548139592222
Energy: 1.3515750734352356
Energy: 1.5462612082302376
Energy: 1.2734977953315858
Energy: 1.2838393069345468
Energy: 1.273497795332388
Energy: 1.3285762363259637
Energy: 1.2707187164653353
Energy: 1.275292746054731
Energy: 1.2707187164653353
Energy: 1.711850641079092
Energy: 1.268836226397293
Energy: 1.2702314882057326
Energy: 1.2688362263964905
Energy: 1.6987510017715066
Energy: 1.2700451722357513
Energy: 1.2984007755377474
Energy: 1.2700451722349486
Energy: 1.325573115700749
Energy: 1.3472142665539295
Energy: 1.5222088228571458
Energy: 1.3472142665523246
Energy: 1.2965230556379377
Energy: 1.2970792414286527
Energy: 1.5203972532883872
Energy: 1.2970792414286527
Energy: 1.3044934485052482
Energy: 1.3005094413304363
Energy: 1.4768942019797722
Energy: 1.300509441329634
Energy: 1.2972925104882416
Energy: 1.297077117496488
Energy: 1.3195899310010295
Energy: 1.2970771174996976
Energy: 1.5515910926193526
Energy: 1.3025826373135303
Energy: 1.3222250425853965
Energy: 1.3025826373167402
Energy: 1.529479173042946
Energy: 1.4130278681613158
Energy: 1.4973711482316807
Energy: 1.4130278681621182
Energy: 1.4828238431506127
Energy: 1.2952080045450798
Energy: 1.3207413006149908
Energy: 1.2952080045466117
Energy: 1.520010584845558
Energy: 1.3047328444852504
Energy: 1.4817184121589568
Energy: 1.3047328444844477
Energy: 1.5222113445956582
Energy: 1.2960212604747616
Energy: 1.2953511498436476
Energy: 1.2960212604747616
Energy: 1.4784393101908782
Energy: 1.296189803876521
Energy: 1.299023065184508
Energy: 1.2961898038741138
Energy: 1.703032592090386
Energy: 1.3010543058064163
Energy: 1.3057682233137498
Energy: 1.3010543058032065
Energy: 1.7101953319748389
Energy: 1.3483720830734007
Energy: 1.3289385671770333
Energy: 1.3483720830734007
Energy: 1.2698361508592804
Energy: 1.2750085024161062
Energy: 1.5461047799826795
Energy: 1.2750085024161062
Energy: 1.2816296444125517
Energy: 1.273434283973487
Energy: 1.3266344134185892
Energy: 1.273434283971882
Energy: 1.272033608328328
Energy: 1.274778547147285
Energy: 1.3913849545277388
Energy: 1.274778547147285
Energy: 1.2682524832568323
Energy: 1.2714237156647743
Energy: 1.6974173299304802
Energy: 1.2714237156655768
Energy: 1.5212456961173726
Energy: 1.346266302774628
Energy: 1.3266268930963983
Energy: 1.346266302774628
Energy: 1.5214536569916042
Energy: 1.2986930726806882
Energy: 1.3003816055481388
Energy: 1.2986930726838979
Energy: 1.476668659951812
Energy: 1.2988201135134183
Energy: 1.299580923526914
Energy: 1.2988201135142208
Energy: 1.3222836403433162
Energy: 1.2959049980219146
Energy: 1.296032745667607
Energy: 1.295904998021112

minimum gb energy = 1.267331695089716 eV
minimum distance =  2.2094633365458 Angstroms
sigma value = 1


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

Energy: 1.893801632965552
Energy: 1.2412951317072136
Energy: 1.4645231855280167
Energy: 1.2067820799270634
Energy: 1.2653954336190374
Energy: 1.245817916359476
Energy: 1.5150794492971387
Energy: 1.2458179163616951
Energy: 1.516618688253383
Energy: 1.3835611771719913
Energy: 1.5172014178513906
Energy: 1.3835611771653844
Energy: 1.2684922458337287
Energy: 1.3846706329879395
Energy: 1.4947030496138336
Energy: 1.3846706329846108
Energy: 1.2403924821382055
Energy: 1.2392728453906128
Energy: 1.5072268568634803
Energy: 1.2392728453939414
Energy: 1.2394186723496852
Energy: 1.2412425945187382
Energy: 1.5078493503940313
Energy: 1.2412425945176286
Energy: 1.2367030609140965
Energy: 1.238871600157696
Energy: 1.4962398418029643
Energy: 1.2388716001610245
Energy: 1.2534671867879588
Energy: 1.249975098597546
Energy: 1.712705176998517
Energy: 1.2499750985986555
Energy: 1.4976783659049835
Energy: 1.3192517552595648
Energy: 1.7120255842188334
Energy: 1.3192517552662222
Energy: 1.511768536176167
Energy: 1.251449704277969
Energy: 1.2538462343665349
Energy: 1.2514497042746404
Energy: 1.4987174391198776
Energy: 1.2381338204558452
Energy: 1.2369311070140803
Energy: 1.238133820458064
Energy: 1.7060954593890518
Energy: 1.2571273424476255
Energy: 1.240227188529013
Energy: 1.2571273424487348
Energy: 1.7058582161880613
Energy: 1.2399746181741014
Energy: 1.2389820667750149
Energy: 1.23997461817632
Energy: 1.4932892473271704
Energy: 1.3831430463141747
Energy: 1.5157031940888557
Energy: 1.3831430463152843
Energy: 1.2710033634948186
Energy: 1.3830045841642484
Energy: 1.5148398461342696
Energy: 1.3830045841664675
Energy: 1.2648483651643874
Energy: 1.2426618433491534
Energy: 1.4968094195656323
Energy: 1.242661843352482
Energy: 1.2402928784312315
Energy: 1.2409729811781975
Energy: 1.5077653557245465
Energy: 1.240972981177088
Energy: 1.2539850107599093
Energy: 1.2496897332841383
Energy: 1.4877572511075947
Energy: 1.2496897332852477
Energy: 1.2368631051529364
Energy: 1.23921847446177
Energy: 1.7123121365672926
Energy: 1.23921847446177
Energy: 1.2439191409931634
Energy: 1.2519410457240185
Energy: 1.7130748536713967
Energy: 1.251941045718471
Energy: 1.507693202348347
Energy: 1.314195465596232
Energy: 1.496003117753335
Energy: 1.3141954655884651
Energy: 1.5096675882947104
Energy: 1.242400473207806
Energy: 1.2460495692773224
Energy: 1.242400473205587
Energy: 1.4953945500589219
Energy: 1.2385524100884118
Energy: 1.2404669747393053
Energy: 1.238552410090631
Energy: 1.705857888226746
Energy: 1.2397391076579978
Energy: 1.2385552868626368
Energy: 1.2397391076602167

minimum gb energy = 1.2067820799270634 eV
minimum distance =  2.21847341959132 Angstroms
sigma value = 17


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

Energy: 2.0213931075269835
Energy: 1.2319917812415626
Energy: 1.465908521622943
Energy: 1.2041022154906307
Energy: 1.2397872415231805
Energy: 1.2292309377297204
Energy: 1.3998534114131154
Energy: 1.2292309377242339
Energy: 1.5577317107125228
Energy: 1.2236180134528931
Energy: 1.4274859672198867
Energy: 1.2236180134535788
Energy: 1.6061793110290108
Energy: 1.3023371709811928
Energy: 1.3855915003218937
Energy: 1.30233717098325
Energy: 1.3679110301464554
Energy: 1.2058274494210595
Energy: 1.6080939143823094
Energy: 1.205827449403915
Energy: 1.2070803659524678
Energy: 1.2053617902213918
Energy: 1.5561200747577157
Energy: 1.2053617902186486
Energy: 1.206796370940753
Energy: 1.2044408339654975
Energy: 1.2466129027733017
Energy: 1.2044408339661834
Energy: 1.2181739631640165
Energy: 1.2078048699513937
Energy: 1.5817609483428303
Energy: 1.2078048699513937
Energy: 1.569672046247672
Energy: 1.2085718376867896
Energy: 1.5322331154456037
Energy: 1.2085718376874752
Energy: 1.4311267417564613
Energy: 1.3034781407288005
Energy: 1.4023765850153262
Energy: 1.3034781407301723
Energy: 1.5630349863609736
Energy: 1.2247355772318582
Energy: 1.2402303828222363
Energy: 1.2247355772373447
Energy: 1.5544662923992
Energy: 1.2356242974669163
Energy: 1.3886592995141498
Energy: 1.2356242974634875
Energy: 1.5578138952402782
Energy: 1.2248504504165785
Energy: 1.2263603566866745
Energy: 1.2248504504172641
Energy: 1.2267826676859532
Energy: 1.2243102465185072
Energy: 1.227931722144527
Energy: 1.2243102465185072
Energy: 1.5981204615225162
Energy: 1.228490517599337
Energy: 1.232507497541622
Energy: 1.228490517599337
Energy: 1.5835851028208734
Energy: 1.2256295058331321
Energy: 1.2299442820662396
Energy: 1.2256295058303888
Energy: 1.225237902298414
Energy: 1.2308791255173295
Energy: 1.597397652456777
Energy: 1.230879125524873
Energy: 1.224684974338138
Energy: 1.2243717599559774
Energy: 1.5708684621500737
Energy: 1.22437175995392
Energy: 1.2305274038995333
Energy: 1.2294412693297079
Energy: 1.5266861716607207
Energy: 1.229441269331765
Energy: 1.227381583920302
Energy: 1.2246167044563705
Energy: 1.5821725107132734
Energy: 1.2246167044584277
Energy: 1.4315774556370966
Energy: 1.2276708578481526
Energy: 1.2277788813687514
Energy: 1.2276708578474669
Energy: 1.4282002546646109
Energy: 1.2296036976168507
Energy: 1.597585097342628
Energy: 1.2296036976250178
Energy: 1.386155681950746
Energy: 1.298401998000526
Energy: 1.6014670408023273
Energy: 1.2984019980025832
Energy: 1.6082374876215604
Energy: 1.207713701138665
Energy: 1.3668935363204868
Energy: 1.207713701138665
Energy: 1.5548452790046827
Energy: 1.204535389674029
Energy: 1.2050384486160777
Energy: 1.2045353896726572
Energy: 1.389254278149833
Energy: 1.2062447807842962
Energy: 1.2129377668439125
Energy: 1.206244780784982
Energy: 1.5821843763451449
Energy: 1.2107482949099722
Energy: 1.2204102620691473
Energy: 1.2107482949106576
Energy: 1.3897806306476337
Energy: 1.20948832450361
Energy: 1.5754464892371425
Energy: 1.2094883245029244
Energy: 1.3994359574434165
Energy: 1.305331386303562
Energy: 1.4258556813895529
Energy: 1.305331386301567
Energy: 1.2421837453822562
Energy: 1.2241411488979173
Energy: 1.5598675310533419
Energy: 1.224141148898603
Energy: 1.387042531316298
Energy: 1.2257543846415253
Energy: 1.5558038585458844
Energy: 1.225754384639468
Energy: 1.2247503553455192
Energy: 1.2258774201466967
Energy: 1.5574076490681772
Energy: 1.22587742014944
Energy: 1.2243451176504063
Energy: 1.2234504191975417
Energy: 1.4194862425612944
Energy: 1.2234504191982276
Energy: 1.2377597072717328
Energy: 1.2289209563399763
Energy: 1.6031824041117326
Energy: 1.2289209563399763
Energy: 1.4271747165004043
Energy: 1.2739321505242238
Energy: 1.5840082664661999
Energy: 1.2739321505235381
Energy: 1.823908558176844
Energy: 1.2340066751897258
Energy: 1.2283377287850592
Energy: 1.2340066751883545
Energy: 1.5650517622926319
Energy: 1.224373603523102
Energy: 1.226255220598817
Energy: 1.2243736035244737
Energy: 1.5340571120963236
Energy: 1.2346054004690312
Energy: 1.2257084996762966
Energy: 1.2346054004676599

minimum gb energy = 1.2041022154906307 eV
minimum distance =  2.21450220128047 Angstroms
sigma value = 89


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

Energy: 2.1487533334526954
Energy: 1.1265634405259792
Energy: 1.1272885910414305
Energy: 1.1713020068349207
Energy: 1.1290187966435297
Energy: 1.245879365616409
Energy: 1.1261474557829845
Energy: 1.245879365616409
Energy: 1.1121371160620914
Energy: 1.2473352834560172
Energy: 1.1573619609589805
Energy: 1.2473352834560172
Energy: 1.1152981569955775
Energy: 1.24836872065222
Energy: 1.1239638165111656
Energy: 1.2483687206540144
Energy: 1.1234509230647853
Energy: 1.1248223188008835
Energy: 1.1460701678994256
Energy: 1.124822318799089
Energy: 1.1234991297746009
Energy: 1.1230132266611135
Energy: 1.1453546288188263
Energy: 1.1230132266611135
Energy: 1.1230228697866125
Energy: 1.1209903913910695
Energy: 1.1255443099218876
Energy: 1.1209903913910695
Energy: 1.1247430143666057
Energy: 1.1267282652594162
Energy: 1.1114631966828754
Energy: 1.1267282652594162
Energy: 1.128217336318226
Energy: 1.1245905412279151
Energy: 1.1115193527274465
Energy: 1.1245905412279151
Energy: 1.1569483329391597
Energy: 1.2510011710439009
Energy: 1.128237736426813
Energy: 1.2510011710456952
Energy: 1.1256019455277293
Energy: 1.238800942737023
Energy: 1.1109054719118931
Energy: 1.238800942737023
Energy: 1.1452088859733656
Energy: 1.1236207951948423
Energy: 1.1263898149636966
Energy: 1.1236207951948423
Energy: 1.1460328863217586
Energy: 1.1269334155701838
Energy: 1.1239791038367137
Energy: 1.1269334155701838
Energy: 1.1249983162419743
Energy: 1.1202199125633066
Energy: 1.120360350265311
Energy: 1.1202199125615122
Energy: 1.1114705143310077
Energy: 1.12517429726648
Energy: 1.1274345193779811
Energy: 1.1251742972646857

minimum gb energy = 1.1109054719118931 eV
minimum distance =  2.23751465335585 Angstroms
sigma value = 13


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

Energy: 1.909681601884485
Energy: 1.0700136082371563
Energy: 1.3575158974378658
Energy: 1.0613780440301932
Energy: 1.1625035068756477
Energy: 1.0670152980319891
Energy: 1.2653476710884204
Energy: 1.0670152980327412
Energy: 1.0717582804409223
Energy: 1.0653808264526061
Energy: 1.274705587966154
Energy: 1.0653808264450852
Energy: 1.4735364219973794
Energy: 1.0701349689038515
Energy: 1.2534536755161936
Energy: 1.0701349688963309
Energy: 1.4579254457962558
Energy: 1.0674500710024328
Energy: 1.272915213963179
Energy: 1.0674500710167225
Energy: 1.2533449764369722
Energy: 1.066620589266434
Energy: 1.2687129494845577
Energy: 1.06662058926869
Energy: 1.2732595266169358
Energy: 1.0659729098437278
Energy: 1.2474073176083167
Energy: 1.0659729098474882
Energy: 1.252744118026376
Energy: 1.0652905463911702
Energy: 1.2827154604313322
Energy: 1.0652905463904179
Energy: 1.0634990902904358
Energy: 1.0707035552311348
Energy: 1.2571471649940782
Energy: 1.070703555226622
Energy: 1.0643970059854562
Energy: 1.0651327310663588
Energy: 1.2562487210017177
Energy: 1.0651327310610943
Energy: 1.0675954601168656
Energy: 1.086002028475736
Energy: 1.910293184292355
Energy: 1.0860020284719756
Energy: 1.2468548726015094
Energy: 1.0638278076926297
Energy: 1.2568856554949723
Energy: 1.0638278076963903
Energy: 1.272292206705227
Energy: 1.1356351172249382
Energy: 1.2453042584073792
Energy: 1.1356351172264423
Energy: 1.454808286908753
Energy: 1.1407782113490457
Energy: 1.472724184721256
Energy: 1.1407782113452851
Energy: 1.2840088559593428
Energy: 1.0680130980551779
Energy: 1.4534733855860524
Energy: 1.06801309805593
Energy: 1.2560895852948317
Energy: 1.0673064443010305
Energy: 1.0704088737701762
Energy: 1.0673064442995264
Energy: 1.455146252132404
Energy: 1.0651370532729298
Energy: 1.0700835954462544
Energy: 1.065137053277442
Energy: 1.0700169229811465
Energy: 1.0645954211373292
Energy: 1.0684971872836788
Energy: 1.0645954211177748
Energy: 1.4146309574219653
Energy: 1.0695103705588158
Energy: 1.2455988835546432
Energy: 1.069510370570097
Energy: 1.2549465935827084
Energy: 1.0642850750813708
Energy: 1.27468800839623
Energy: 1.064285075082875
Energy: 1.4789207019799289
Energy: 1.0663114595173302
Energy: 1.2471930653615604
Energy: 1.0663114595188343
Energy: 1.2556026596925587
Energy: 1.1565705952992842
Energy: 1.2445577164171178
Energy: 1.156570595306805
Energy: 1.2572852956940936
Energy: 1.0677522825365298
Energy: 1.2730687220540042
Energy: 1.0677522825297612
Energy: 1.0715952019023893
Energy: 1.0640402937698947
Energy: 1.455351522335664
Energy: 1.0640402937759115
Energy: 1.249426903016484
Energy: 1.0668634988692978
Energy: 1.2825551246235964
Energy: 1.0668634988662895
Energy: 1.0670689672086398
Energy: 1.0642708512790302
Energy: 1.2807084395753487
Energy: 1.064270851279782
Energy: 1.065167064353862
Energy: 1.0633910555889066
Energy: 1.460388398518332
Energy: 1.063391055591915
Energy: 1.087518521234979
Energy: 1.0715861150972918
Energy: 1.1133884124532165
Energy: 1.0715861150882668
Energy: 1.2447173793942006
Energy: 1.0688717503642862
Energy: 1.4159195488684686
Energy: 1.0688717503672944
Energy: 1.2736572632168348
Energy: 1.1409417158187094
Energy: 1.2453962575133184
Energy: 1.1409417158149489
Energy: 1.2480169141784756
Energy: 1.1350289543151648
Energy: 1.4805602388329044
Energy: 1.1350289542993712
Energy: 1.2594545901907324
Energy: 1.0667341727383293
Energy: 1.2452103603493543
Energy: 1.0667341727360728
Energy: 1.2851261123236273
Energy: 1.0689343900976962
Energy: 1.0914492910017313
Energy: 1.0689343900916795
Energy: 1.4577405959386476
Energy: 1.0635150914821516
Energy: 1.06530682984526
Energy: 1.0635150914896727
Energy: 1.4148893772731685
Energy: 1.067145859221558
Energy: 1.0722222116161573
Energy: 1.067145859228258

minimum gb energy = 1.0613780440301932 eV
minimum distance =  2.22591661133948 Angstroms
sigma value = 37


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

Energy: 1.868371321249588
Energy: 1.0026938610200993
Energy: 1.0013699338621744
Energy: 0.9915530372227283
Energy: 1.6014549894437642
Energy: 1.0021869167999071
Energy: 1.328885975797943
Energy: 1.0021869168012012
Energy: 1.4586751763680605
Energy: 1.0002783966179887
Energy: 1.32220186728796
Energy: 1.0002783966179887
Energy: 1.4586857362164476
Energy: 1.1336783628767846
Energy: 1.2971599020573437
Energy: 1.1336783628754907
Energy: 1.6017491907419985
Energy: 0.9848523461825343
Energy: 1.4652827273352913
Energy: 0.9848523461851222
Energy: 1.2942762293004282
Energy: 0.9850768660377418
Energy: 1.2968721454122094
Energy: 0.9850768660403297
Energy: 1.1521100345158508
Energy: 0.9838901615553542
Energy: 1.5985436619982574
Energy: 0.9838901615553542
Energy: 1.2823339571867758
Energy: 0.972772612673615
Energy: 1.4989068171016326
Energy: 0.972772612673615
Energy: 1.134580179569907
Energy: 0.9784330042872675
Energy: 1.4697754991445138
Energy: 0.9784330042885615
Energy: 1.1342103924000189
Energy: 0.9682108227803804
Energy: 1.5937544614106969
Energy: 0.9682108227790865
Energy: 1.1816892339816398
Energy: 1.182047946495849
Energy: 1.6794484733082902
Energy: 1.1820479464971432
Energy: 1.4475910953674476
Energy: 0.9681574851997689
Energy: 1.5933397996800305
Energy: 0.9681574852023567
Energy: 1.446436786432902
Energy: 0.9676382377087074
Energy: 1.4587267936773634
Energy: 0.9676382377087074
Energy: 1.601658676259164
Energy: 1.0961100608495384
Energy: 1.458738714617413
Energy: 1.0961100608495384
Energy: 1.465282727336585
Energy: 1.1167406590929625
Energy: 1.5971144628658844
Energy: 1.1167406590929625
Energy: 1.601379718125557
Energy: 1.114446922428094
Energy: 0.9775297208179404
Energy: 1.1144469224267999
Energy: 1.6025331503196385
Energy: 1.0980100231564494
Energy: 1.1520416464208147
Energy: 1.0980100231577432
Energy: 1.4989068171210123
Energy: 1.0009860957903174
Energy: 0.9686835900558535
Energy: 1.0009860957890233
Energy: 1.469775499180744
Energy: 1.0062172963618639
Energy: 1.0006123505803084
Energy: 1.0062172963618639
Energy: 1.6010999310955294
Energy: 1.0022391207640409
Energy: 1.013795852024699
Energy: 1.0022391207653347

minimum gb energy = 0.9676382377087074 eV
minimum distance =  2.22371385318141 Angstroms
sigma value = 25


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

Energy: 1.9923990685935649
Energy: 0.8746750988035716
Energy: 1.213488289482766
Energy: 0.8839103209660885
Energy: 1.5079166662744574
Energy: 0.8719840104496478
Energy: 1.1289850506699464
Energy: 0.8719840104486374
Energy: 1.8011033573589919
Energy: 0.8704363626039237
Energy: 1.1339113240927567
Energy: 0.8704363626059445
Energy: 1.406347170447044
Energy: 0.872861143277084
Energy: 1.129153750057093
Energy: 0.872861143277084
Energy: 1.4076102155114076
Energy: 0.9750179110678022
Energy: 1.5966108459165056
Energy: 0.9750179110688125
Energy: 1.3858783798429317
Energy: 0.973294040568934
Energy: 1.5972440176397937
Energy: 0.9732940405679235
Energy: 1.3897334124317553
Energy: 0.975358362843871
Energy: 1.5989474244370987
Energy: 0.975358362843871
Energy: 1.1285514921315163
Energy: 0.8784128045456894
Energy: 1.5912812870211792
Energy: 0.8784128045466998
Energy: 1.1337550358142219
Energy: 0.8703012004486652
Energy: 1.5969292408089126
Energy: 0.8703012004486652
Energy: 1.136055970532898
Energy: 0.8719377457242278
Energy: 1.5969125783933604
Energy: 0.871937745722207
Energy: 0.8722443607991045
Energy: 0.8778924175915805
Energy: 1.699282469455256
Energy: 0.8778924175885494
Energy: 0.877378223457956
Energy: 0.8715878237068824
Energy: 1.597656756681705
Energy: 0.8715878237038511
Energy: 0.8733896918427566
Energy: 0.870119301828208
Energy: 1.3857266583361099
Energy: 0.8701193018292184
Energy: 0.8951493343474936
Energy: 0.8709959328002681
Energy: 1.792112703841824
Energy: 0.8709959327982473
Energy: 1.1341145865808684
Energy: 0.8700882620518104
Energy: 1.8041116050718402
Energy: 0.8700882620518104
Energy: 1.1364257318758209
Energy: 0.8724138187488192
Energy: 1.7970206520015946
Energy: 0.8724138187478087
Energy: 1.4105683726899465
Energy: 0.8737799151955664
Energy: 1.7975630680223245
Energy: 0.8737799151955664
Energy: 1.1376347349819491
Energy: 0.980026826318719
Energy: 1.597144606630657
Energy: 0.980026826318719
Energy: 1.5963797718935215
Energy: 0.9748379826312081
Energy: 1.39014918153746
Energy: 0.9748379826301978
Energy: 1.5979571021651078
Energy: 0.9740275715984323
Energy: 1.3863327979494957
Energy: 0.9740275716004532
Energy: 1.7016862589750539
Energy: 0.8758140810779532
Energy: 1.1293888145724327
Energy: 0.8758140810799739
Energy: 1.6006670161908834
Energy: 0.8693477222703754
Energy: 0.8710542401783627
Energy: 0.8693477222713858
Energy: 1.5957721451386944
Energy: 0.875037576539711
Energy: 1.1290639946446868
Energy: 0.8750375765376903
Energy: 1.5896439801950357
Energy: 0.8753291521118634
Energy: 0.8713903059371572
Energy: 0.8753291521118634
Energy: 1.6010847659444671
Energy: 0.8702141523374284
Energy: 0.8712173031894598
Energy: 0.8702141523354076
Energy: 1.7917354335539641
Energy: 0.8732713470147128
Energy: 0.8792585320860915
Energy: 0.8732713470147128

minimum gb energy = 0.8693477222703754 eV
minimum distance =  2.23660816553953 Angstroms
sigma value = 41


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

Energy: 2.184848122903841
Energy: 0.7982291010353012
Energy: 1.1575821901131178
Energy: 0.8119258161337054
Energy: 1.6811557451368995
Energy: 0.79583317867876
Energy: 1.009507049995133
Energy: 0.7958331786795885
Energy: 1.9331686581572634
Energy: 0.7937132245069338
Energy: 1.0170922629220411
Energy: 0.7937132245061054
Energy: 1.5847110945556004
Energy: 0.797782651324892
Energy: 1.251823313406072
Energy: 0.797782651324892
Energy: 1.601754412547868
Energy: 0.7917331933775916
Energy: 1.415531843478116
Energy: 0.7917331933767632
Energy: 1.5889086098724876
Energy: 0.7936861905175817
Energy: 1.4097941926432533
Energy: 0.7936861905200668
Energy: 1.5953363682674004
Energy: 0.8826179724155826
Energy: 1.6018775376674814
Energy: 0.8826179724172392
Energy: 1.4108835741537005
Energy: 0.885090725010711
Energy: 1.4160481781404135
Energy: 0.8850907250123675
Energy: 1.2275994783957132
Energy: 0.7953301899833609
Energy: 1.7620459716689558
Energy: 0.7953301899841893
Energy: 1.2268462878923148
Energy: 0.7920616239014251
Energy: 1.7605560493746588
Energy: 0.7920616239030818
Energy: 1.0109081683390648
Energy: 0.8000819860923074
Energy: 1.7560252108970043
Energy: 0.8000819860898225
Energy: 1.0121442083098848
Energy: 0.7926906688550742
Energy: 1.7591308620274757
Energy: 0.7926906688567309
Energy: 1.0117503470016653
Energy: 0.7965564428372168
Energy: 1.7569041316392058
Energy: 0.7965564428372168
Energy: 0.794520563797625
Energy: 0.7991827449703095
Energy: 1.7535399064941362
Energy: 0.7991827449711377
Energy: 0.7961115473067563
Energy: 0.7941393137786018
Energy: 1.7622949091101268
Energy: 0.7941393137777734
Energy: 0.802368187121175
Energy: 0.7961530202082858
Energy: 1.9332402530440638
Energy: 0.7961530202058007
Energy: 1.022582127324018
Energy: 0.799590096402474
Energy: 1.9206216116891706
Energy: 0.7995900964041307
Energy: 1.013202608534577
Energy: 0.7918598224627686
Energy: 1.929905141916475
Energy: 0.7918598224627686
Energy: 1.0136496823411028
Energy: 0.798013488219098
Energy: 1.592444654609173
Energy: 0.7980134882174413
Energy: 1.4144086958665558
Energy: 0.795400582520318
Energy: 1.588859451173561
Energy: 0.7954005825211463
Energy: 1.421919009926694
Energy: 0.7935035885652437
Energy: 1.7589849131118183
Energy: 0.7935035885735274
Energy: 1.4151096168566295
Energy: 0.8803452058167581
Energy: 1.599810443494241
Energy: 0.8803452058109598
Energy: 1.7623954361338592
Energy: 0.8774708720919582
Energy: 1.5875866298306525
Energy: 0.8774708720903014
Energy: 1.4165284190881604
Energy: 0.8810102005923834
Energy: 1.412907267526748
Energy: 0.8810102005907268
Energy: 1.7617214155004552
Energy: 0.7933039992748164
Energy: 1.230530712145595
Energy: 0.7933039992739881
Energy: 1.7613604560688032
Energy: 0.7947666091994885
Energy: 1.4099132638842662
Energy: 0.7947666091986602
Energy: 1.7692045544935784
Energy: 0.7985882254842362
Energy: 1.0264010273526891
Energy: 0.7985882254817511
Energy: 1.929187732461689
Energy: 0.7926062210751169
Energy: 1.0123882421590111
Energy: 0.7926062210718035
Energy: 1.765742887653457
Energy: 0.7983825520987355
Energy: 1.0213247381316657
Energy: 0.7983825520995639
Energy: 1.7623968946840103
Energy: 0.796842684449169
Energy: 0.7956226214868486
Energy: 0.7968426844483406
Energy: 1.9296637673800583
Energy: 0.7937430272039202
Energy: 0.7954417094841544
Energy: 0.7937430272055769
Energy: 1.9203443136186458
Energy: 0.8024961813122904
Energy: 0.8092066829566055
Energy: 0.8024961813164322

minimum gb energy = 0.7917331933767632 eV
minimum distance =  2.23953330776038 Angstroms
sigma value = 15


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

Energy: 1.8960209963697767
Energy: 0.7428910282381276
Energy: 1.1126393168333915
Energy: 0.7538171079307677
Energy: 1.8716194057395772
Energy: 0.7368503478200867
Energy: 0.9187563148323121
Energy: 0.7368503478193851
Energy: 2.022857501406505
Energy: 0.7353726371742565
Energy: 0.924906279280996
Energy: 0.7353726371721514
Energy: 1.7237573340430423
Energy: 0.7386924051933551
Energy: 1.2808133373156605
Energy: 0.7386924051940568
Energy: 1.73733624144175
Energy: 0.7316412870283372
Energy: 1.267125512970308
Energy: 0.7316412870276354
Energy: 1.7309447723111338
Energy: 0.7329837030409935
Energy: 1.2652457137537434
Energy: 0.7329837030430987
Energy: 1.4271409409680815
Energy: 0.7334202354408325
Energy: 1.5805285874662394
Energy: 0.7334202354366222
Energy: 1.587880054177279
Energy: 0.8129415185192763
Energy: 1.266874731977792
Energy: 0.8129415185178729
Energy: 1.4222205556994947
Energy: 0.8055398149475893
Energy: 1.5746719406058578
Energy: 0.805539814948291
Energy: 1.4205268785288618
Energy: 0.805240546835999
Energy: 1.8721340509116777
Energy: 0.8052405468352972
Energy: 1.2780048910446848
Energy: 0.7362425936339227
Energy: 1.5899592734364314
Energy: 0.7362425936416419
Energy: 1.1039100912889162
Energy: 0.7320170153934163
Energy: 1.8720170256549693
Energy: 0.7320170154011354
Energy: 1.267319726756538
Energy: 0.7331666431626542
Energy: 1.8739238960956273
Energy: 0.7331666431591455
Energy: 0.9348890193368279
Energy: 0.7382029365217373
Energy: 1.5888721684564728
Energy: 0.7382029365182287
Energy: 0.9197325878453951
Energy: 0.7325976435695783
Energy: 2.015216114739944
Energy: 0.7325976435674731
Energy: 0.92768351799561
Energy: 0.7360578445604647
Energy: 1.8787228065939812
Energy: 0.73605784456257
Energy: 0.743094382338437
Energy: 0.7389467040433912
Energy: 1.8844544080755432
Energy: 0.738946704041286
Energy: 0.7325832931998802
Energy: 0.7332546466471815
Energy: 2.014871125041137
Energy: 0.7332546466443745
Energy: 0.7494347050630732
Energy: 0.7382524448390546
Energy: 1.7365537894660639
Energy: 0.7382524448397564
Energy: 0.9305510362206734
Energy: 0.7366247152393604
Energy: 2.0260213397587465
Energy: 0.7366247152421673
Energy: 0.9160084338895387
Energy: 0.7325518693537798
Energy: 1.8713520447328527
Energy: 0.7325518693565868
Energy: 0.9351774525918692
Energy: 0.7385740898892996
Energy: 1.7408040813581427
Energy: 0.7385740898892996
Energy: 1.2669231287024652
Energy: 0.7341036686357209
Energy: 1.7265205276610358
Energy: 0.7341036686392296
Energy: 1.2696061466563087
Energy: 0.732260354097164
Energy: 1.8736909956916592
Energy: 0.7322603540951226
Energy: 1.2763444866194658
Energy: 0.7360965042053335
Energy: 1.4321938650526855
Energy: 0.7360965042053335
Energy: 1.577009848678897
Energy: 0.8048082089005952
Energy: 1.8729544349978704
Energy: 0.8048082089034021
Energy: 1.2654134569528892
Energy: 0.8059169709878631
Energy: 1.5769798799413273
Energy: 0.8059169709871613
Energy: 1.586695312688717
Energy: 0.8132205142044907
Energy: 1.4352461927162328
Energy: 0.8132205142044907
Energy: 1.581065179953546
Energy: 0.7399750537028659
Energy: 1.579954815221392
Energy: 0.7399750537028659
Energy: 1.5760234010796454
Energy: 0.733393408532079
Energy: 1.2668907025570761
Energy: 0.7333934085264651
Energy: 1.734277955064894
Energy: 0.7319378896447024
Energy: 1.1036614387115828
Energy: 0.7319378896468076
Energy: 1.5868407137941487
Energy: 0.7399853397875625
Energy: 1.278359031549413
Energy: 0.7399853397910713
Energy: 1.8752096212891511
Energy: 0.7351625645432456
Energy: 0.9255595335257343
Energy: 0.7351625645432456
Energy: 1.8702726415264228
Energy: 0.735356882840311
Energy: 0.9257105570417297
Energy: 0.7353568828410126
Energy: 1.8666417236102082
Energy: 0.7401367549416068
Energy: 0.758939061501125
Energy: 0.7401367549366947
Energy: 1.869870183900961
Energy: 0.7354360825226209
Energy: 0.7411082750556935
Energy: 0.7354360825233226
Energy: 2.0172628144595772
Energy: 0.7357607072849176
Energy: 0.7379481127447638
Energy: 0.735760707281409

minimum gb energy = 0.7316412870276354 eV
minimum distance =  2.23903839842698 Angstroms
sigma value = 85


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

Energy: 2.0235805693529296
Energy: 0.6651545384072387
Energy: 0.6642152135646264
Energy: 0.7010178787546284
Energy: 1.9389871297362784
Energy: 0.6652867155722846
Energy: 0.8268837464100499
Energy: 0.6652867155728932
Energy: 1.8091165799884008
Energy: 0.6648559363621451
Energy: 0.8332155011538727
Energy: 0.6648559363627539
Energy: 1.5378576965510269
Energy: 0.6631831270079572
Energy: 1.1324741037533967
Energy: 0.66318312700674
Energy: 1.8192257281700819
Energy: 0.6624331068277632
Energy: 1.1323368034507935
Energy: 0.6624331068271546
Energy: 1.5416390422370165
Energy: 0.6635998041680808
Energy: 1.13424744243917
Energy: 0.6635998041680808
Energy: 1.539610559316216
Energy: 0.6640717557458089
Energy: 1.4087419515619464
Energy: 0.6640717557458089
Energy: 1.679820521911131
Energy: 0.6623851228620521
Energy: 1.1302640366714851
Energy: 0.662385122863878
Energy: 1.542848432047276
Energy: 0.6635614694998327
Energy: 1.4096418290695005
Energy: 0.6635614694645606
Energy: 1.5461508821510446
Energy: 0.7855174406621651
Energy: 1.6773757719730709
Energy: 0.7855174406609479
Energy: 1.4089196976201155
Energy: 0.7847974425960199
Energy: 1.4060218407027125
Energy: 0.7847974425978459
Energy: 1.2740126704058834
Energy: 0.6623015506882506
Energy: 1.678524426156909
Energy: 0.6623015506791212
Energy: 1.4074721848685754
Energy: 0.6626758526266484
Energy: 1.6765104843074041
Energy: 0.6626758526223882
Energy: 1.132474283187601
Energy: 0.6648139101980381
Energy: 1.402861598036753
Energy: 0.6648139101986467
Energy: 0.9822585002921964
Energy: 0.6625897064084095
Energy: 1.9364378619115612
Energy: 0.6625897064071924
Energy: 1.1322252655848692
Energy: 0.6656826605193289
Energy: 1.676955295316548
Energy: 0.6656826605168944
Energy: 0.8296142696736074
Energy: 0.6629777173837504
Energy: 1.672907423085633
Energy: 0.6629777173837504
Energy: 0.8237521358150264
Energy: 0.6627765726900493
Energy: 1.818631722997097
Energy: 0.662776572690658
Energy: 0.8270550896289941
Energy: 0.6627431182721698
Energy: 1.9301917629235084
Energy: 0.6627431182721698
Energy: 0.6652228697467053
Energy: 0.6636247167953171
Energy: 1.9300923715172353
Energy: 0.6636247167953171
Energy: 0.6640400447428675
Energy: 0.6634458888283281
Energy: 1.9395937719595526
Energy: 0.6634458888289367
Energy: 0.6636696200637857
Energy: 0.6637184079051225
Energy: 1.8034131887879177
Energy: 0.6637184079051225
Energy: 0.8352322602004163
Energy: 0.6663861001062646
Energy: 2.0541221232819487
Energy: 0.6663861001062646
Energy: 0.8267438651351537
Energy: 0.6627941663363499
Energy: 1.938294307613673
Energy: 0.6627941663375672
Energy: 0.8271641045935862
Energy: 0.6629836924051934
Energy: 1.538613612034372
Energy: 0.6629836924051934
Energy: 1.1324453070886538
Energy: 0.6633221312529489
Energy: 2.0591420375162963
Energy: 0.6633221312523404
Energy: 1.1314665473109387
Energy: 0.6627814690141486
Energy: 1.811131933075013
Energy: 0.6627814690153658
Energy: 1.3010113223676392
Energy: 0.6656105339518024
Energy: 1.5405468867174616
Energy: 0.6656105339548455
Energy: 1.4118315223610125
Energy: 0.6626658270219197
Energy: 1.8189710257557494
Energy: 0.6626658270237455
Energy: 1.4083358234624592
Energy: 0.6638537458172604
Energy: 1.5435623770593885
Energy: 0.6638537458196949
Energy: 1.684338707930803
Energy: 0.785967438503113
Energy: 1.2707393142373444
Energy: 0.7859674385037215
Energy: 1.4053326936098434
Energy: 0.7861191994114497
Energy: 1.5616485361948533
Energy: 0.7861191994090152
Energy: 1.679092030824258
Energy: 0.6636571628540903
Energy: 1.2684504061332118
Energy: 0.6636571628212249
Energy: 1.8219188533445307
Energy: 0.6624657090606028
Energy: 1.2693251677583204
Energy: 0.662465709056951
Energy: 1.4036621887468648
Energy: 0.6658748264648156
Energy: 1.1325860223249486
Energy: 0.6658748264660328
Energy: 1.9393827679599136
Energy: 0.6626114591828329
Energy: 1.1315213337112193
Energy: 0.6626114591828329
Energy: 1.932983184123986
Energy: 0.6635583030513309
Energy: 1.1325616245722916
Energy: 0.6635583030501137
Energy: 1.6738497108848687
Energy: 0.6629774479903396
Energy: 0.827557988353485
Energy: 0.6629774479909483
Energy: 1.938549325551734
Energy: 0.6626286644875531
Energy: 0.8264093532261244
Energy: 0.6626286644881617
Energy: 1.9300338019670025
Energy: 0.6660683418765301
Energy: 0.8274268455421975
Energy: 0.6660683418771387
Energy: 1.6715409255374494
Energy: 0.6638519388757499
Energy: 0.6634294627210473
Energy: 0.6638519388763586
Energy: 1.939486125069337
Energy: 0.6632707939054625
Energy: 0.6634977976096063
Energy: 0.6632707939054625
Energy: 1.8033762021428952
Energy: 0.6631116528700834
Energy: 0.6630795745524356
Energy: 0.6631116528706921

minimum gb energy = 0.6623015506791212 eV
minimum distance =  2.23930008925423 Angstroms
sigma value = 113


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

Energy: 0.020484501074402466
Energy: 0.5994943064084124
Energy: 1.5891124743612404
Energy: 0.022189722536286947
Energy: 1.1492144683113876
Energy: 0.16865797739896285
Energy: 1.1532900699768878
Energy: 0.1686579773994307
Energy: 0.0220850179857287
Energy: 0.16607082566843476
Energy: 1.150405243584999
Energy: 0.16607082566843476
Energy: 0.023861029015219092
Energy: 0.16740959646639217
Energy: 1.146911344504735
Energy: 0.16740959646821169
Energy: 1.151782554951088
Energy: 0.16822064894256572
Energy: 1.15128671254513
Energy: 0.16822064894256572
Energy: 0.02188099674870654
Energy: 0.16579247834043867
Energy: 1.1503157620216504
Energy: 0.16579247833955493

minimum gb energy = 0.020484501074402466 eV
minimum distance =  2.45653596197894 Angstroms
sigma value = 1