Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553245961666107
cohesive_energy=4.122759316666127
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01277267819308129
Energy: 0.01289283293504879
Energy: 2.7708675756232175
Energy: 0.01289283293504879
Energy: 0.012892832934071351
Energy: 0.013172354767847337
Energy: 0.4267295461974113
Energy: 0.013172354767847337
Energy: 2.7708675756222125
Energy: 0.4267295461974113
Energy: 0.42638160257958313
Energy: 0.4267295461974113
Energy: 0.01289283293504879
Energy: 0.013172354767847337
Energy: 0.4267295461964339
Energy: 0.013172354767847337

minimum gb energy = 0.01277267819308129 eV
minimum distance =  2.4700543339926 Angstroms
sigma value = 1


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

Energy: 1.3938952084328382
Energy: 1.2075911680142555
Energy: 2.238085476336586
Energy: 1.2075911680142555
Energy: 1.4254022598346436
Energy: 0.8936872927044894
Energy: 1.0405722236415085
Energy: 0.8936872927044894
Energy: 1.5875492826205055
Energy: 0.9043645650961899
Energy: 0.8974620420278812
Energy: 0.9043645650949707
Energy: 1.3117334871450599
Energy: 0.8956927284721379
Energy: 0.9765260335236378
Energy: 0.8956927284733572
Energy: 1.312260584992661
Energy: 0.8955120142830469
Energy: 1.2829551920591606
Energy: 0.8955120142818277
Energy: 1.4246089530643402
Energy: 0.8897343825487952
Energy: 0.8888628795021758
Energy: 0.8897343825487952
Energy: 1.0918385504589787
Energy: 1.1412680016339665
Energy: 0.8887690673102638
Energy: 1.141268001635186
Energy: 0.894488132686325
Energy: 0.888087152698904
Energy: 1.274269912714415
Energy: 0.888087152698904
Energy: 1.0998320804734274
Energy: 1.0346877277818614
Energy: 1.2628630941820143
Energy: 1.0346877277818614
Energy: 1.4472416820160765
Energy: 1.1374860068975434
Energy: 1.1221475128466745
Energy: 1.1374860068963242
Energy: 0.8926711573307942
Energy: 1.1052439043927584
Energy: 1.1815730520898742
Energy: 1.1052439043939777
Energy: 0.8923820927449997
Energy: 0.892225022367659
Energy: 1.7806036369911364
Energy: 0.8922250223688784
Energy: 1.077443109712315
Energy: 1.0399010416237988
Energy: 1.3158579009121125
Energy: 1.0399010416225798
Energy: 0.9036135294034777
Energy: 1.1394138867543229
Energy: 1.3536975638561437
Energy: 1.1394138867543229
Energy: 0.9062705406252969
Energy: 0.8882732913237986
Energy: 1.4201047578153527
Energy: 0.8882732913237986
Energy: 0.9605045275954871
Energy: 0.8882706383437593
Energy: 1.4232408330234436
Energy: 0.8882706383437593
Energy: 0.9036416101403164
Energy: 1.1392025816160216
Energy: 1.3560482265631473
Energy: 1.1392025816160216
Energy: 1.0817068476229923
Energy: 1.1049964274092197
Energy: 1.2923298649945034
Energy: 1.1049964274092197
Energy: 0.8924481196768224
Energy: 0.8924074255710913
Energy: 1.8106266288711834
Energy: 0.8924074255710913
Energy: 0.8928325138594849
Energy: 1.0394777410000606
Energy: 1.0948190722325188
Energy: 1.03947774100128
Energy: 1.4462040231224298
Energy: 1.137173078921915
Energy: 1.1137448925555493
Energy: 1.137173078921915
Energy: 1.093409528047087
Energy: 1.0281273055917686
Energy: 1.262719501718803
Energy: 1.0281273055917686
Energy: 1.1165128427922992
Energy: 0.8881484382431751
Energy: 1.0899846093464736
Energy: 0.888148438241956
Energy: 1.258735785941345
Energy: 1.1401506388169038
Energy: 0.8888164878052975
Energy: 1.1401506388156843
Energy: 1.4229901994238363
Energy: 0.889700565114898
Energy: 0.8888912848133109
Energy: 0.889700565114898
Energy: 1.3541241232665726
Energy: 0.8942928513228658
Energy: 1.281875597441506
Energy: 0.8942928513228658
Energy: 1.2839648571788473
Energy: 0.8957211136569191
Energy: 0.9044328192155092
Energy: 0.8957211136556997
Energy: 1.5876778743473325
Energy: 0.9043170350125487
Energy: 0.9234337636677767
Energy: 0.9043170350125487
Energy: 1.4262623921336786
Energy: 0.8935461006005675
Energy: 1.040865357431905
Energy: 0.8935461006005675
Energy: 1.3878542543061125
Energy: 1.151368319064538
Energy: 0.9046318334252377
Energy: 1.151368319064538
Energy: 1.4260101013628372
Energy: 0.8934928166733446
Energy: 0.9777824668944627
Energy: 0.8934928166733446
Energy: 1.4248856274935822
Energy: 0.8915644185031276
Energy: 0.8978480721350084
Energy: 0.8915644185043468
Energy: 1.3126965037128613
Energy: 0.8951618667722016
Energy: 0.9764245476320412
Energy: 0.8951618667722016

minimum gb energy = 0.888087152698904 eV
minimum distance =  2.31698613390751 Angstroms
sigma value = 1


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

Energy: 1.5029615474155875
Energy: 1.2239095720640496
Energy: 2.2928511000190603
Energy: 1.2239095720640496
Energy: 1.3324664581958756
Energy: 1.0672617079660356
Energy: 1.1180504427686107
Energy: 1.0672617079660356
Energy: 1.3418876299678335
Energy: 0.9393882725638923
Energy: 0.9484791453009779
Energy: 0.9393882725652825
Energy: 0.9231940186737126
Energy: 0.9234328764650263
Energy: 1.1180065408470115
Energy: 0.9234328764650263
Energy: 0.9230554754358258
Energy: 0.923933652839413
Energy: 1.3844338624458654
Energy: 0.923933652839413
Energy: 1.3428804478781842
Energy: 0.92284796680749
Energy: 0.9232721284133605
Energy: 0.92284796680749
Energy: 1.0061764562474245
Energy: 0.9947787785579547
Energy: 0.9231733328472317
Energy: 0.9947787785579547
Energy: 0.9227944921245266
Energy: 0.922992725773373
Energy: 1.37433157186867
Energy: 0.922992725773373
Energy: 1.0062067171843014
Energy: 1.0671398288177296
Energy: 1.3418565225898622
Energy: 1.0671398288191196
Energy: 1.1183526494826126
Energy: 0.9240574890740525
Energy: 0.9268245545612923
Energy: 0.9240574890754427
Energy: 1.0100053921117078
Energy: 0.9238710313517099
Energy: 1.3421491916183939
Energy: 0.9238710313517099
Energy: 1.0100132225007663
Energy: 0.9228119995411155
Energy: 1.7170194307257982
Energy: 0.9228119995411155
Energy: 1.1182672261511912
Energy: 1.0668591249947035
Energy: 1.398027324551394
Energy: 1.0668591249947035
Energy: 1.1182672261498012
Energy: 1.0668809214995676
Energy: 1.398445759095134
Energy: 1.0668809214995676
Energy: 1.010040196057233
Energy: 0.922917096653256
Energy: 1.7168297231940373
Energy: 0.922917096653256
Energy: 1.0099951459209504
Energy: 0.923900296141818
Energy: 1.342174238658805
Energy: 0.923900296141818
Energy: 1.1183526494826126
Energy: 0.9242593607847112
Energy: 0.9268229150613799
Energy: 0.9242593607847112
Energy: 1.0063780246337537
Energy: 1.067222295305312
Energy: 1.3419630848853201
Energy: 1.067222295305312
Energy: 0.9227969984896676
Energy: 0.9229915112643361
Energy: 1.37433157186867
Energy: 0.9229915112643361
Energy: 1.0061592220219797
Energy: 0.9943696736008746
Energy: 0.9233568683409666
Energy: 0.9943696736008746
Energy: 1.3415058327556335
Energy: 0.9228661621857371
Energy: 0.9232741063426904
Energy: 0.9228661621857371
Energy: 0.9230227992628409
Energy: 0.9236202022038115
Energy: 1.384433862436134
Energy: 0.9236202022038115
Energy: 0.9231728285631947
Energy: 0.923743218860027
Energy: 1.1180065408484017
Energy: 0.9237432188614171
Energy: 1.3423046771506149
Energy: 0.9394062373098143
Energy: 0.9481856083330334
Energy: 0.9394062373098143
Energy: 1.3324725649845068
Energy: 1.0672953940051648
Energy: 1.1180504427672207
Energy: 1.0672953940051648
Energy: 1.5029615474155875
Energy: 1.2239095720640496
Energy: 2.29285110001767
Energy: 1.2239095720640496
Energy: 1.3324664581958756
Energy: 1.0672617079660356
Energy: 1.1180504427686107
Energy: 1.0672617079660356
Energy: 1.3418876299678335
Energy: 0.9393882725652825
Energy: 0.9484791453009779
Energy: 0.9393882725652825
Energy: 0.9231940186737126
Energy: 0.9234328764650263
Energy: 1.1180065408470115
Energy: 0.9234328764650263

minimum gb energy = 0.9227944921245266 eV
minimum distance =  2.30829710152468 Angstroms
sigma value = 25


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

Energy: 1.3281323633433217
Energy: 1.0972741925046852
Energy: 2.2748903032203085
Energy: 1.0972741925046852
Energy: 1.4354647785667576
Energy: 0.9839147920488958
Energy: 1.1871906711884506
Energy: 0.9839147920488958
Energy: 1.426886968139349
Energy: 0.9970516846187594
Energy: 1.0246877779071428
Energy: 0.9970516846187594
Energy: 1.2818523593607936
Energy: 0.9820483982204851
Energy: 1.105172600223468
Energy: 0.9820483982204851
Energy: 1.2510132883916492
Energy: 0.9818647442452868
Energy: 1.2845666739290316
Energy: 0.9818647442452868
Energy: 1.4259055641555858
Energy: 0.9833671009699453
Energy: 0.9827425582980813
Energy: 0.9833671009699453
Energy: 0.9958475240320915
Energy: 0.9819712197836441
Energy: 0.9827726668969977
Energy: 0.9819712197836441
Energy: 0.9978775460651109
Energy: 0.9954580579127074
Energy: 1.452387151119069
Energy: 0.9954580579127074
Energy: 1.0838510741656924
Energy: 1.2080730089852418
Energy: 1.253531833377533
Energy: 1.2080730089852418
Energy: 1.07217623681978
Energy: 0.9906795086621737
Energy: 1.3151022656290063
Energy: 0.99067950866379
Energy: 1.071754759806042
Energy: 1.065370202866747
Energy: 1.4336863314420882
Energy: 1.065370202866747
Energy: 1.089298700243711
Energy: 0.9954960630013843
Energy: 1.4256589159140907
Energy: 0.9954960630013843
Energy: 1.0720136688486552
Energy: 0.9903189372918856
Energy: 1.2989292520659848
Energy: 0.9903189372935017
Energy: 1.1271645062168905
Energy: 0.9821389909442229
Energy: 1.2519676566604092
Energy: 0.9821389909442229
Energy: 0.9949000441725042
Energy: 0.9957399504330053
Energy: 1.6826814166296644
Energy: 0.9957399504346215
Energy: 0.995203016665158
Energy: 0.9827107755023472
Energy: 0.9828522120906615
Energy: 0.9827107755023472
Energy: 1.695557553353521
Energy: 0.9835089862278811
Energy: 0.9825762722321784
Energy: 0.9835089862278811
Energy: 1.251356734336046
Energy: 0.983034467895395
Energy: 1.2850518095030952
Energy: 0.983034467895395
Energy: 1.1435194676939346
Energy: 0.9822042700407062
Energy: 1.1052239747420773
Energy: 0.9822042700407062
Energy: 1.2706296629445357
Energy: 0.9829652816810692
Energy: 1.0022612361223726
Energy: 0.9829652816810692
Energy: 1.435070653120746
Energy: 0.9834728369380925
Energy: 1.0508091748462407
Energy: 0.9834728369380925
Energy: 1.3295348379613565
Energy: 0.990848188240137
Energy: 1.0271394430314478
Energy: 0.990848188240137
Energy: 1.4351096773274936
Energy: 1.1270555500218509
Energy: 1.1870406522427701
Energy: 1.1270555500218509
Energy: 1.4262462465120338
Energy: 1.0239557080034924
Energy: 1.0239578898694155
Energy: 1.0239557080034924
Energy: 1.2510693361887815
Energy: 0.9818940880905019
Energy: 1.0249907336339785
Energy: 0.9818940880905019

minimum gb energy = 0.9818647442452868 eV
minimum distance =  2.32004405349967 Angstroms
sigma value = 9


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

Energy: 1.0117762287376733
Energy: 1.0109095920926376
Energy: 2.359143317267634
Energy: 1.0109095920928348
Energy: 1.0096876867185847
Energy: 1.0265534588144385
Energy: 1.0270945673912615
Energy: 1.0265534588140444
Energy: 1.1336380123635312
Energy: 1.0633154877866937
Energy: 1.1337334502665746
Energy: 1.0633154877866937
Energy: 1.0266043594631293
Energy: 1.0271646815602504
Energy: 1.1397570046137568
Energy: 1.0271646815602504
Energy: 1.0266758718094797
Energy: 1.0267747463615005
Energy: 1.1340789498354393
Energy: 1.0267747463615005
Energy: 1.676441265497664
Energy: 1.0266688822743038
Energy: 1.0266113451425325
Energy: 1.0266688822739314
Energy: 1.1396042653669445
Energy: 1.0274003519969401
Energy: 1.0266850529940068
Energy: 1.0274003519969401
Energy: 1.1344154500966457
Energy: 1.1336532271824984
Energy: 1.518787755254842
Energy: 1.1336532271826738
Energy: 1.302248600027371
Energy: 1.0265324248444432
Energy: 1.0093824421112114
Energy: 1.0265324248446406
Energy: 1.3024698109039818
Energy: 1.009609902261823
Energy: 1.0095009999903686
Energy: 1.0096099022622176
Energy: 1.1398345897521054
Energy: 1.1248272202935403
Energy: 1.5203090861673276
Energy: 1.1248272202937155
Energy: 1.134580374874364
Energy: 1.0093639749001717
Energy: 1.1335143528024079
Energy: 1.0093639748997776
Energy: 1.3028567783064964
Energy: 1.027548108208487
Energy: 1.0275229893699829
Energy: 1.0275481082088593
Energy: 1.133659589847666
Energy: 1.1034244370851911
Energy: 1.133557439603511
Energy: 1.1034244370847965
Energy: 1.0274786146902373
Energy: 1.0275443564004902
Energy: 1.3028567783053353
Energy: 1.027544356400293
Energy: 1.1335089110912686
Energy: 1.0093770332752237
Energy: 1.134531299750145
Energy: 1.009377033275618
Energy: 1.5202633793931242
Energy: 1.1248339281967517
Energy: 1.1398412833471003
Energy: 1.1248339281971462
Energy: 1.0094953899274697
Energy: 1.0098012427068872
Energy: 1.3024698109035875
Energy: 1.0098012427068872
Energy: 1.0093463815910186
Energy: 1.0265253270000174
Energy: 1.3022486000268012
Energy: 1.0265253270000174
Energy: 1.5187553495765127
Energy: 1.1336352735028785
Energy: 1.1343503718437216
Energy: 1.1336352735026816
Energy: 1.026660808367074
Energy: 1.027212508436873
Energy: 1.1396056833188726
Energy: 1.0272125084359092

minimum gb energy = 1.0093463815910186 eV
minimum distance =  2.2975161103609 Angstroms
sigma value = 25


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

Energy: 1.1100766829680047
Energy: 1.3545895415081501
Energy: 2.282500691772819
Energy: 1.3545895415086378
Energy: 1.4861734398993132
Energy: 1.1933079591879898
Energy: 1.1463547823801068
Energy: 1.1933079591884503
Energy: 1.2996553647041917
Energy: 1.1495691685643377
Energy: 1.14578573925484
Energy: 1.1495691685640936
Energy: 1.1342345239631313
Energy: 1.1152065562453446
Energy: 1.1481645771071523
Energy: 1.1152065562446403
Energy: 1.2355505156681181
Energy: 1.1880770420668805
Energy: 1.4940788986114502
Energy: 1.1880770420668805
Energy: 1.5629672097135403
Energy: 1.0889546722274186
Energy: 1.0887725212872386
Energy: 1.0889546722276622
Energy: 1.1943209944571338
Energy: 1.1134207376646625
Energy: 1.1597524362701204
Energy: 1.1134207376644456
Energy: 1.19563777504999
Energy: 1.2044730819862504
Energy: 1.5164324199959638
Energy: 1.2044730819862504
Energy: 1.1939220548356833
Energy: 1.0888488607772013
Energy: 1.0883560696733032
Energy: 1.0888488607772013
Energy: 1.2996979681443215
Energy: 1.088882052959058
Energy: 1.0881939340969469
Energy: 1.088882052959058
Energy: 1.1169778137713973
Energy: 1.1135877084838697
Energy: 1.4313749445755006
Energy: 1.1135877084838697
Energy: 1.11329746806283
Energy: 1.0882423520832334
Energy: 1.1486290730275195
Energy: 1.0882423520834772
Energy: 1.3693745195078724
Energy: 1.1486311862239567
Energy: 1.149062379379508
Energy: 1.1486311862239567
Energy: 1.4909489292350508
Energy: 1.0882465096552296
Energy: 1.3236024649624212
Energy: 1.0882465096554732
Energy: 1.4915174619665836
Energy: 1.3168139966878214
Energy: 1.3269554594889492
Energy: 1.3168139966878214
Energy: 1.4863518109285776
Energy: 1.1154934965287129
Energy: 1.1485661011576693
Energy: 1.1154934965287129
Energy: 1.1135958219232325
Energy: 1.0915105992760277
Energy: 1.1498231153106022
Energy: 1.0915105992760277

minimum gb energy = 1.0881939340969469 eV
minimum distance =  2.28799855996887 Angstroms
sigma value = 17


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

Energy: 1.421667076548305
Energy: 1.3038661852953628
Energy: 2.223522626763236
Energy: 1.3038661852953628
Energy: 1.3491246560945913
Energy: 1.1966506578648097
Energy: 1.1921982510555682
Energy: 1.1966506578648097
Energy: 1.1438908040815092
Energy: 1.1324010269810911
Energy: 1.1537908052331016
Energy: 1.1324010269810911
Energy: 1.1190183292126787
Energy: 1.1183981805169247
Energy: 1.1630192084634343
Energy: 1.118398180518275
Energy: 1.1478392049937762
Energy: 1.205265495500905
Energy: 1.3865613221626174
Energy: 1.205265495500905
Energy: 1.561094315920243
Energy: 1.2850731751628428
Energy: 1.1286424437185936
Energy: 1.2850731751628428
Energy: 1.3010467232537648
Energy: 1.117162664520654
Energy: 1.385569617775822
Energy: 1.1171626645193038
Energy: 1.1777494826585981
Energy: 1.1174981786406697
Energy: 1.4358044035557345
Energy: 1.1174981786406697
Energy: 1.1971943156963256
Energy: 1.1274399104988668
Energy: 1.1248791181016944
Energy: 1.1274399104988668
Energy: 1.424582118293574
Energy: 1.20313547330524
Energy: 1.126501301284343
Energy: 1.20313547330524
Energy: 1.1226031844550652
Energy: 1.1211579303947434
Energy: 1.4024549542338673
Energy: 1.1211579303947434
Energy: 1.1201694508102036
Energy: 1.126010580298203
Energy: 1.2605888823066502
Energy: 1.1260105802995535
Energy: 1.4245492848278312
Energy: 1.1786178069530948
Energy: 1.2141049396170798
Energy: 1.1786178069530948
Energy: 1.119988763422888
Energy: 1.1209461339626547
Energy: 1.210627483433682
Energy: 1.1209461339626547
Energy: 1.120087263361174
Energy: 1.2092319114415169
Energy: 1.4578422012144179
Energy: 1.2092319114415169
Energy: 1.373979311895658
Energy: 1.1254524227438905
Energy: 1.1241946024113858
Energy: 1.1254524227438905
Energy: 1.1766247470046283
Energy: 1.279447271175092
Energy: 1.1251396727893457
Energy: 1.279447271175092
Energy: 1.1664032574656253
Energy: 1.1850923157201543
Energy: 1.3711923797657657
Energy: 1.1850923157201543
Energy: 1.301057551132263
Energy: 1.2818828925430334
Energy: 1.2501196167109798
Energy: 1.2818828925430334
Energy: 1.5212144328026505
Energy: 1.2039435569143448
Energy: 1.370760965952134
Energy: 1.2039435569143448
Energy: 1.1278682898479333
Energy: 1.143522900384174
Energy: 1.3923391214236314
Energy: 1.143522900384174
Energy: 1.1297013585317293
Energy: 1.1258277690682632
Energy: 1.1442343477566672
Energy: 1.1258277690682632
Energy: 1.374240533728498
Energy: 1.1446890418104916
Energy: 1.1439075500464089
Energy: 1.1446890418104916
Energy: 1.3761228405830659
Energy: 1.228289074014039
Energy: 1.3975704080727245
Energy: 1.2282890740126886
Energy: 1.392687878041372
Energy: 1.2292876903938617
Energy: 1.3944012180740946
Energy: 1.2292876903938617
Energy: 1.3778831277862722
Energy: 1.1445812405427078
Energy: 1.1447692570431598
Energy: 1.1445812405427078
Energy: 1.1295218016351334
Energy: 1.1256034501013639
Energy: 1.1309919712995589
Energy: 1.1256034501013639
Energy: 1.1282914841785139
Energy: 1.1281459604637198
Energy: 1.3786448474372608
Energy: 1.1281459604637198
Energy: 1.1430405282642966
Energy: 1.2093164669934569
Energy: 1.3740547601428332
Energy: 1.2093164669934569
Energy: 1.2839405206490666
Energy: 1.2852293613819512
Energy: 1.1263026349620004
Energy: 1.2852293613819512

minimum gb energy = 1.1171626645193038 eV
minimum distance =  2.2626880616816 Angstroms
sigma value = 53


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

Energy: 1.0334730017156093
Energy: 1.0485903140748907
Energy: 2.316002656495218
Energy: 1.0485903140752089
Energy: 1.0344429258353813
Energy: 1.076579761378592
Energy: 1.0340240915010772
Energy: 1.0765797613789099
Energy: 1.5318827349813828
Energy: 1.1384011198216997
Energy: 1.1146539511383406
Energy: 1.1384011198216997
Energy: 1.1146473496491982
Energy: 1.1384383410070265
Energy: 1.5345743044956723
Energy: 1.1384383410073444
Energy: 1.034239993248226
Energy: 1.076817547479953
Energy: 1.034226356929035
Energy: 1.0768175474796704
Energy: 2.3160026564949
Energy: 1.0485903140748907
Energy: 1.0334730017156093
Energy: 1.0485903140752089
Energy: 1.0340240915007592
Energy: 1.0765797613789099
Energy: 1.0344429258356993
Energy: 1.076579761378592
Energy: 1.1146539511386584
Energy: 1.1384011198216997
Energy: 1.531882734981065
Energy: 1.1384011198216997
Energy: 1.5345743044956723
Energy: 1.1384383410073444
Energy: 1.11464734964888
Energy: 1.1384383410070265
Energy: 1.0342263569287171
Energy: 1.076817547479953
Energy: 1.0342399932485087
Energy: 1.076817547479953
Energy: 1.0334730017156093
Energy: 1.0485903140752089
Energy: 2.3160026564955363
Energy: 1.0485903140748907
Energy: 1.0344429258356993
Energy: 1.076579761378592
Energy: 1.0340240915007592
Energy: 1.0765797613789099
Energy: 1.5318827349813828
Energy: 1.1384011198220174
Energy: 1.1146539511383406
Energy: 1.1384011198216997

minimum gb energy = 1.0334730017156093 eV
minimum distance =  2.2687444599265 Angstroms
sigma value = 9


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

Energy: 1.2726551311414394
Energy: 1.283372000397867
Energy: 2.1880960582662174
Energy: 1.283372000397867
Energy: 1.4741145686148127
Energy: 1.2481063479484533
Energy: 1.2312605965612395
Energy: 1.2481063479484533
Energy: 1.1974755296405173
Energy: 1.1608411914198329
Energy: 1.1596285266152229
Energy: 1.1608411914198329
Energy: 1.2015624349278329
Energy: 1.2311019969143269
Energy: 1.2323282713590327
Energy: 1.2311019969131765
Energy: 1.2966540518623375
Energy: 1.1553007698019158
Energy: 1.476834843005443
Energy: 1.1553007698019158
Energy: 1.5208782502831812
Energy: 1.233702268903855
Energy: 1.2583888956542042
Energy: 1.233702268903855
Energy: 1.215366146878234
Energy: 1.248424349327828
Energy: 1.5363893158983195
Energy: 1.2484243493289784
Energy: 1.1553574955931667
Energy: 1.2121726908540449
Energy: 1.237637320649472
Energy: 1.2121726908540449
Energy: 1.2151372147648651
Energy: 1.2169364143513373
Energy: 1.2159967196979937
Energy: 1.2169364143501868
Energy: 1.255562853370109
Energy: 1.159490993752537
Energy: 1.2943718376940219
Energy: 1.1594909937513866
Energy: 1.172694832735807
Energy: 1.2309523726223415
Energy: 1.5670083558087793
Energy: 1.2309523726223415
Energy: 1.5855473481135507
Energy: 1.2779148573096657
Energy: 1.2066488908557929
Energy: 1.277914857308515
Energy: 1.2321195158223812
Energy: 1.1684052453934681
Energy: 1.1702141240854267
Energy: 1.1684052453923175
Energy: 1.2454262831717036
Energy: 1.262458580868413
Energy: 1.3039995242543296
Energy: 1.262458580868413
Energy: 1.2777125879052686
Energy: 1.2574611871171966
Energy: 1.2072335983859266
Energy: 1.2574611871171966
Energy: 1.5505931235222965
Energy: 1.1685197948640758
Energy: 1.1728634309746833
Energy: 1.1685197948640758
Energy: 1.2593524832169112
Energy: 1.2363692089500753
Energy: 1.6153939876696384
Energy: 1.2363692089500753
Energy: 1.1754131292655559
Energy: 1.2273152979903403
Energy: 1.291492688149973
Energy: 1.2273152979903403
Energy: 1.5144303722171182
Energy: 1.2504112782692334
Energy: 1.2143045976623432
Energy: 1.250411278270384
Energy: 1.2017687262889136
Energy: 1.2494847030229745
Energy: 1.2118322997027193
Energy: 1.2494847030229745
Energy: 1.1570121039270156
Energy: 1.2094641584514547
Energy: 1.4999381219583015
Energy: 1.2094641584514547
Energy: 1.4060691495952855
Energy: 1.2606171130444923
Energy: 1.255723514734078
Energy: 1.260617113043342
Energy: 1.3492426588149238
Energy: 1.2316132204783443
Energy: 1.2568729150752977
Energy: 1.2316132204783443
Energy: 1.2539183085004868
Energy: 1.1955181615336028
Energy: 1.500715847974343
Energy: 1.1955181615186457
Energy: 1.2111090822470714
Energy: 1.2473506122750109
Energy: 1.1835924865959733
Energy: 1.2473506122750109
Energy: 1.3507925222516204
Energy: 1.2250159290168097
Energy: 1.185827349453365
Energy: 1.225015929015659
Energy: 1.4717955240538179
Energy: 1.2452031397956653
Energy: 1.3135013453372968
Energy: 1.2452031397956653
Energy: 1.2712142659560444
Energy: 1.2456746555326412
Energy: 1.4277978128301452
Energy: 1.2456746555326412
Energy: 1.5019827936895565
Energy: 1.226085143399087
Energy: 1.1982405407637424
Energy: 1.226085143399087
Energy: 1.2066213417487501
Energy: 1.289296464930042
Energy: 1.1838568696599086
Energy: 1.289296464930042
Energy: 1.1900439618837613
Energy: 1.231800892695468
Energy: 1.4942459316547847
Energy: 1.231800892695468
Energy: 1.3500095864542183
Energy: 1.2456192424564128
Energy: 1.2592610246025417
Energy: 1.2456192424587138
Energy: 1.5454786539750254
Energy: 1.2428702011754627
Energy: 1.2625874190487074
Energy: 1.242870201174312
Energy: 1.2039180849949482
Energy: 1.2091542429476851
Energy: 1.4887487629064435
Energy: 1.2091542429476851
Energy: 1.1880784745317607
Energy: 1.2501985219799865
Energy: 1.2118351185119376
Energy: 1.2501985219788359

minimum gb energy = 1.1553007698019158 eV
minimum distance =  2.24392508289611 Angstroms
sigma value = 73


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

Energy: 1.3853059222503366
Energy: 1.2688442872730297
Energy: 2.2293754840531896
Energy: 1.2688442872728432
Energy: 1.3445143286290695
Energy: 1.2596196389541443
Energy: 1.2706357500636862
Energy: 1.2596196389541443
Energy: 1.2306513365756633
Energy: 1.2158845864155778
Energy: 1.1739412822484483
Energy: 1.2158845864155778
Energy: 1.2019771111869606
Energy: 1.1807027107419983
Energy: 1.270233038176357
Energy: 1.1807027107419983
Energy: 1.3559873759307026
Energy: 1.1802921003029212
Energy: 1.313780934087874
Energy: 1.1802921003027345
Energy: 1.6491238160148016
Energy: 1.2607653639637086
Energy: 1.184502550218537
Energy: 1.2607653639637086
Energy: 1.234648386635309
Energy: 1.2456001644074688
Energy: 1.421085125765325
Energy: 1.2456001644069294
Energy: 1.1822981575312101
Energy: 1.1804731125416086
Energy: 1.2601230694714363
Energy: 1.180473112541422
Energy: 1.4069444980107229
Energy: 1.2157649529890957
Energy: 1.3182656377024844
Energy: 1.215764952988909
Energy: 1.22416523326049
Energy: 1.2156756828037407
Energy: 1.3058572561730242
Energy: 1.2156756828035746
Energy: 1.1804495989849988
Energy: 1.1803261762508714
Energy: 1.5574098225190338
Energy: 1.180326176251245
Energy: 1.4872474189632192
Energy: 1.2657171129613032
Energy: 1.3142574896674868
Energy: 1.2657171129611164
Energy: 1.3542423191779445
Energy: 1.2589059407032759
Energy: 1.1818240816752537
Energy: 1.2589059407030891
Energy: 1.2305754021952704
Energy: 1.3157989152738754
Energy: 1.5702987706365015
Energy: 1.3157989152736886
Energy: 1.199356036881189
Energy: 1.1802535704448494
Energy: 1.2477490947663679
Energy: 1.1802535704452226
Energy: 1.3215504439752146
Energy: 1.2160582292481064
Energy: 1.2097819259044331
Energy: 1.2160582292481064
Energy: 1.310084869035293
Energy: 1.2704399189794986
Energy: 1.5758008158698087
Energy: 1.2704399189794986
Energy: 1.3104749812341403
Energy: 1.2702232264846158
Energy: 1.5096689908299523
Energy: 1.2702232264848023
Energy: 1.613440030815591
Energy: 1.2168054868177007
Energy: 1.2709138187320177
Energy: 1.2168054868167877
Energy: 1.1991508120381484
Energy: 1.266755224577538
Energy: 1.1738599295120227
Energy: 1.2667552245773512
Energy: 1.230493375430388
Energy: 1.2837542707404712
Energy: 1.5718310994747458
Energy: 1.283754270740098
Energy: 1.3547174315448032
Energy: 1.2658939423129614
Energy: 1.181827600363226
Energy: 1.265893942313314

minimum gb energy = 1.1738599295120227 eV
minimum distance =  2.23949986999514 Angstroms
sigma value = 7


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

Energy: 1.47733352437674
Energy: 1.2861767121515695
Energy: 2.2215769977135995
Energy: 1.2861767121515695
Energy: 1.4086301415540896
Energy: 1.2802258265098148
Energy: 1.2441001764720683
Energy: 1.2802258265098148
Energy: 1.2796926937345894
Energy: 1.2120356115968922
Energy: 1.213031644276445
Energy: 1.212035611598183
Energy: 1.2340573292295836
Energy: 1.1832258677779144
Energy: 1.215470827928306
Energy: 1.1832258677779144
Energy: 1.3025041847168053
Energy: 1.2119786183586954
Energy: 1.1844379746940688
Energy: 1.2119786183586954
Energy: 1.6552019328087646
Energy: 1.1831497062754783
Energy: 1.1857412840453032
Energy: 1.1831497062754783
Energy: 1.259827189889239
Energy: 1.2942276075710188
Energy: 1.5328065154757484
Energy: 1.2942276075710188
Energy: 1.1857489321631716
Energy: 1.1832606698942703
Energy: 1.296710528070736
Energy: 1.1832606698942703
Energy: 1.3990665700916085
Energy: 1.21220695496025
Energy: 1.2447299170048982
Energy: 1.21220695496025
Energy: 1.2156129552627126
Energy: 1.1837923698694477
Energy: 1.2346861462568035
Energy: 1.1837923698694477
Energy: 1.2142868841066874
Energy: 1.2146351597837672
Energy: 1.3575827036994257
Energy: 1.2146351597837672
Energy: 1.594116843431675
Energy: 1.2620179410939694
Energy: 1.3592193787515583
Energy: 1.2620179410939694
Energy: 1.7214298986608312
Energy: 1.3025803716207638
Energy: 1.3596673292348278
Energy: 1.302580371623345
Energy: 1.2646584363073055
Energy: 1.2138186388912704
Energy: 1.6018720319410853
Energy: 1.2138186388912704
Energy: 1.214241017148382
Energy: 1.2581052138706963
Energy: 1.2302508987263236
Energy: 1.2581052138694055
Energy: 1.5513513105405954
Energy: 1.4397412256075406
Energy: 1.2832538562192042
Energy: 1.4397412256075406
Energy: 1.183655209354523
Energy: 1.1862412965180607
Energy: 1.297003194956476
Energy: 1.1862412965193516
Energy: 1.2534244157849712
Energy: 1.2842684661710555
Energy: 1.5307306686922924
Energy: 1.2842684661710555
Energy: 1.6518373939702489
Energy: 1.1845031158573467
Energy: 1.183661447902789
Energy: 1.1845031158573467
Energy: 1.2971518515413423
Energy: 1.2127320811447146
Energy: 1.1840192485292873
Energy: 1.2127320811447146
Energy: 1.2792284947850094
Energy: 1.3151975106856328
Energy: 1.2770074563219345
Energy: 1.3151975106856328
Energy: 1.2300414029290003
Energy: 1.2122028445457644
Energy: 1.2159857570760242
Energy: 1.2122028445457644
Energy: 1.4894987969038394
Energy: 1.2697570593736218
Energy: 1.276764146666331
Energy: 1.2697570593736218
Energy: 1.3589952519806983
Energy: 1.2903168588959522
Energy: 1.7127288992604501
Energy: 1.2903168588959522
Energy: 1.3643630853463595
Energy: 1.183414319490944
Energy: 1.3096211078912174
Energy: 1.183414319490944
Energy: 1.3598197441596973
Energy: 1.2133151818313208
Energy: 1.2158406789712286
Energy: 1.21331518183003
Energy: 1.2311890784094652
Energy: 1.1833536566072809
Energy: 1.2154073264801557
Energy: 1.1833536566072809
Energy: 1.2970823647501928
Energy: 1.212192578194381
Energy: 1.3981228503785585
Energy: 1.2121925781930902
Energy: 1.2973694613560436
Energy: 1.1829270457874719
Energy: 1.182832747001222
Energy: 1.1829270457874719
Energy: 1.4748969598311608
Energy: 1.364933663188635
Energy: 1.4748507327398843
Energy: 1.364933663188635
Energy: 1.1828343080942856
Energy: 1.1829495959223932
Energy: 1.2973694613560436
Energy: 1.1829495959223932

minimum gb energy = 1.182832747001222 eV
minimum distance =  2.28255272262435 Angstroms
sigma value = 29


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

Energy: 1.123869920420602
Energy: 1.2766570303921163
Energy: 2.211293905042472
Energy: 1.2766570303921163
Energy: 1.5046774021748506
Energy: 1.1989583880847972
Energy: 1.1767374203407737
Energy: 1.1989583880847972
Energy: 1.380414467717618
Energy: 1.1535567053009594
Energy: 1.1555935455870106
Energy: 1.1535567053014089
Energy: 1.5465337715049756
Energy: 1.2768254907966308
Energy: 1.150940394414887
Energy: 1.2768254907957568
Energy: 1.5695138567620237
Energy: 1.2368424433711338
Energy: 1.1506374897413552
Energy: 1.236842443372008
Energy: 1.3808406348848201
Energy: 1.154296277121466
Energy: 1.15421833836597
Energy: 1.154296277121466
Energy: 1.4431156835905208
Energy: 1.231481436568398
Energy: 1.8097602698524449
Energy: 1.231481436568398
Energy: 1.1201028781195204
Energy: 1.2305692779873505
Energy: 1.8098777760696143
Energy: 1.230569277986926
Energy: 1.5040626139007538
Energy: 1.1754126247105243
Energy: 1.238617000982331
Energy: 1.175412624710949

minimum gb energy = 1.1201028781195204 eV
minimum distance =  2.3484967853041 Angstroms
sigma value = 5


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

Energy: 1.3490485365085085
Energy: 1.3247933635004112
Energy: 1.9658738729596674
Energy: 1.3247933635004112
Energy: 1.5335714317911935
Energy: 1.2042297811265559
Energy: 1.3200547448844855
Energy: 1.2042297811338163
Energy: 1.223830139339842
Energy: 1.2637384348359035
Energy: 1.2229703596820745
Energy: 1.2637384348359035
Energy: 1.2238510623726773
Energy: 1.232316513667087
Energy: 1.3610524762782414
Energy: 1.232316513667087
Energy: 1.1726802339218485
Energy: 1.241701898823873
Energy: 1.1993286541651003
Energy: 1.241701898823873
Energy: 1.2617310477117758
Energy: 1.257135749737453
Energy: 1.2030860237385712
Energy: 1.257135749737453
Energy: 1.300591118422178
Energy: 1.2378437079292928
Energy: 1.3745948067588543
Energy: 1.2378437079280735
Energy: 1.3027507469184032
Energy: 1.2528496923429693
Energy: 1.422922607623477
Energy: 1.2528496923429693
Energy: 1.4721288530280925
Energy: 1.2072608787353234
Energy: 1.3082698694846706
Energy: 1.2072608787353234
Energy: 1.4757782518032685
Energy: 1.2082475397852623
Energy: 1.310038819247478
Energy: 1.2082475397876458
Energy: 1.2225394357248596
Energy: 1.2526212716166178
Energy: 1.4153106999439806
Energy: 1.2526212716153986
Energy: 1.2226021247370527
Energy: 1.2674379586063058
Energy: 1.1923859896630535
Energy: 1.2674379586063058
Energy: 1.368881364754069
Energy: 1.2758165923439841
Energy: 1.1939960746710712
Energy: 1.2758165923452036
Energy: 1.1968330371858433
Energy: 1.242944299672567
Energy: 1.1941425318022227
Energy: 1.242944299672567
Energy: 1.2595920710973307
Energy: 1.3230856937996764
Energy: 1.433644450883637
Energy: 1.3230856937996764
Energy: 1.4774805643026554
Energy: 1.3058139509853988
Energy: 1.3033330956547717
Energy: 1.3058139509853988
Energy: 1.4601374938444607
Energy: 1.2379411649519065
Energy: 1.4468180435303455
Energy: 1.2379411649519065
Energy: 1.2244898119462588
Energy: 1.2616908339818158
Energy: 1.4240325028347158
Energy: 1.2616908339830348
Energy: 1.329765817230889
Energy: 1.2148862588586662
Energy: 1.2588923451455685
Energy: 1.2148862588574472
Energy: 1.2137368410226124
Energy: 1.2608012299155955
Energy: 1.2027462615547884
Energy: 1.2608012299168145
Energy: 1.2246695625203086
Energy: 1.2336013294841155
Energy: 1.2323061145901066
Energy: 1.2336013294841155
Energy: 1.3527300829983715
Energy: 1.2409823396001989
Energy: 1.2188406647000731
Energy: 1.2409823396001989
Energy: 1.224124434645133
Energy: 1.2647774579574393
Energy: 1.218340310391942
Energy: 1.2647774579574393
Energy: 1.4236781511992196
Energy: 1.2131578451088503
Energy: 1.5941645118538144
Energy: 1.2131578451088503
Energy: 1.4193862604237435
Energy: 1.2130085443575616
Energy: 1.5749339884552622
Energy: 1.2130085443563423
Energy: 1.3681521299234674
Energy: 1.2414981293438836
Energy: 1.215276757765691
Energy: 1.2414981293438836
Energy: 1.2262552547112389
Energy: 1.2429874096413411
Energy: 1.2182090631232392
Energy: 1.2429874096413411
Energy: 1.2402636584549787
Energy: 1.2408723795592451
Energy: 1.4469446618465889
Energy: 1.2408723795580257
Energy: 1.2144288127206149
Energy: 1.264237089067143
Energy: 1.20048420641597
Energy: 1.264237089067143
Energy: 1.4390269191594998
Energy: 1.3310802615521602
Energy: 1.2834153056693836
Energy: 1.3310802615509407
Energy: 1.296222050370449
Energy: 1.2603877228607459
Energy: 1.3315472843553597
Energy: 1.2603877228607459
Energy: 1.3251556738461343
Energy: 1.1916903307879019
Energy: 1.5340285432983674
Energy: 1.1916903307891211
Energy: 1.639103921400582
Energy: 1.2894870401892395
Energy: 1.3078705331532727
Energy: 1.2894870401880203

minimum gb energy = 1.1726802339218485 eV
minimum distance =  2.23712329634137 Angstroms
sigma value = 1


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

Energy: 1.2077689511665242
Energy: 1.1930198616370855
Energy: 1.9695275378800776
Energy: 1.1930198616387713
Energy: 1.1716028695447236
Energy: 1.214926776383278
Energy: 1.2073605107576773
Energy: 1.214926776383278
Energy: 1.3006389703352568
Energy: 1.2049620650861996
Energy: 1.2318445264148061
Energy: 1.2049620650861996
Energy: 1.1956658274421628
Energy: 1.2039167800582011
Energy: 1.2074686798638703
Energy: 1.2039167800582011
Energy: 1.1449660075301225
Energy: 1.192553617631843
Energy: 1.146005587110205
Energy: 1.192553617631843
Energy: 1.1465412885961401
Energy: 1.1461059860969334
Energy: 1.1459707838496556
Energy: 1.1461059860969334
Energy: 1.2081820739596756
Energy: 1.2045572682316101
Energy: 1.300206509897387
Energy: 1.2045572682316101
Energy: 1.2079573766968494
Energy: 1.2028349885310647
Energy: 1.3007154495213025
Energy: 1.2028349885310647
Energy: 1.5628858350265935
Energy: 1.1920199178024067
Energy: 1.1960077472264399
Energy: 1.1920199178024067
Energy: 1.562885835028279
Energy: 1.192539838168206
Energy: 1.1959599146284412
Energy: 1.192539838168206
Energy: 1.2079492361947215
Energy: 1.2027710350168677
Energy: 1.3007154495229882
Energy: 1.2027710350168677
Energy: 1.2082185160889376
Energy: 1.2045747841981491
Energy: 1.3002065098990727
Energy: 1.2045747841981491
Energy: 1.145983343385663
Energy: 1.1461884983654078
Energy: 1.145968679336739
Energy: 1.1461884983670936
Energy: 1.144964593865953
Energy: 1.1925822089192983
Energy: 1.145938718238696
Energy: 1.1925822089192983
Energy: 1.1959919779939006
Energy: 1.203869600201613
Energy: 1.2073340761628428
Energy: 1.203869600201613
Energy: 1.3006389703335708
Energy: 1.2049592345628715
Energy: 1.2317817634396782
Energy: 1.2049592345628715
Energy: 1.1715157404733083
Energy: 1.215004318514496
Energy: 1.2074068377715481
Energy: 1.215004318514496
Energy: 1.2077689511665242
Energy: 1.1930198616387713
Energy: 1.9695275378834494
Energy: 1.1930198616387713
Energy: 1.1716028695447236
Energy: 1.214926776383278
Energy: 1.2073605107576773
Energy: 1.214926776383278
Energy: 1.3006389703335708
Energy: 1.2049620650861996
Energy: 1.2318445264148061
Energy: 1.2049620650861996
Energy: 1.1956658274404768
Energy: 1.2039167800582011
Energy: 1.2074686798638703
Energy: 1.2039167800582011
Energy: 1.1449660075301225
Energy: 1.192553617631843
Energy: 1.146005587110205
Energy: 1.192553617631843
Energy: 1.1465412885961401
Energy: 1.1461059860969334
Energy: 1.1459707838496556
Energy: 1.1461059860969334
Energy: 1.2081820739596756
Energy: 1.2045572682316101
Energy: 1.300206509897387
Energy: 1.2045572682316101

minimum gb energy = 1.144964593865953 eV
minimum distance =  2.23956910302682 Angstroms
sigma value = 17


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

Energy: 1.3854240130192221
Energy: 1.2129497751888876
Energy: 1.8788309916191006
Energy: 1.2129497751899296
Energy: 1.4505792745197683
Energy: 1.2618384610653612
Energy: 1.373511129081197
Energy: 1.2618384610653612
Energy: 1.1859936806715285
Energy: 1.2086500764006107
Energy: 1.2152842918472964
Energy: 1.2086500764006107
Energy: 1.2253492664591017
Energy: 1.186809121020088
Energy: 1.3595376482184884
Energy: 1.186809121019046
Energy: 1.2001465787091459
Energy: 1.201766961457613
Energy: 1.1981389892820764
Energy: 1.201766961457613
Energy: 1.211017028894369
Energy: 1.2046815346821325
Energy: 1.194504177330984
Energy: 1.2046815346831747
Energy: 1.2028483434951824
Energy: 1.205159761842517
Energy: 1.1659302470815844
Energy: 1.205159761842517
Energy: 1.2028796465748846
Energy: 1.2050987277199154
Energy: 1.2001979187020972
Energy: 1.2050987277199154
Energy: 1.436795950588067
Energy: 1.19285192407167
Energy: 1.3503042542552235
Energy: 1.1928519240727118
Energy: 1.4850363727806706
Energy: 1.1923315406469357
Energy: 1.347340154486468
Energy: 1.1923315406458936
Energy: 1.2489049604065772
Energy: 1.187834738897629
Energy: 1.4567755380463199
Energy: 1.187834738898671
Energy: 1.2470594623021067
Energy: 1.1877973354758378
Energy: 1.3743070838457503
Energy: 1.1877973354758378
Energy: 1.212680532131464
Energy: 1.2089035465011557
Energy: 1.2045879742051169
Energy: 1.2089035465011557
Energy: 1.1751363310181784
Energy: 1.2021015243615072
Energy: 1.2044532120769893
Energy: 1.2021015243615072
Energy: 1.181353007215478
Energy: 1.219668497940999
Energy: 1.2082813246150421
Energy: 1.219668497940999
Energy: 1.1844221938959516
Energy: 1.2033268991198065
Energy: 1.1834517765172539
Energy: 1.2033268991187647
Energy: 1.3411102237045793
Energy: 1.173289235601652
Energy: 1.2419511429302843
Energy: 1.173289235604778
Energy: 1.2433641627173713
Energy: 1.21226462548316
Energy: 1.3639539427814942
Energy: 1.21226462548316
Energy: 1.346043341143458
Energy: 1.1783944147381746
Energy: 1.3519540762796405
Energy: 1.1783944147402585
Energy: 1.581201784845723
Energy: 1.1940943371521064
Energy: 1.254857860055828
Energy: 1.1940943371531483
Energy: 1.2916193854820963
Energy: 1.2778984383676701
Energy: 1.440458894913507
Energy: 1.2778984383676701
Energy: 1.1965500503661146
Energy: 1.200881815126085
Energy: 1.1656660968609867
Energy: 1.2008818151250902
Energy: 1.3374921671390185
Energy: 1.2063571815654475
Energy: 1.2452289849126275
Energy: 1.2063571815654475
Energy: 1.1892786818558712
Energy: 1.204066507628205
Energy: 1.161855451579724
Energy: 1.204066507628205
Energy: 1.2070626592574956
Energy: 1.2240864639915752
Energy: 1.393496582414043
Energy: 1.2240864639915752
Energy: 1.187275141542252
Energy: 1.2015247528352262
Energy: 1.207786259011168
Energy: 1.2015247528352262
Energy: 1.1900806826645447
Energy: 1.202415208673839
Energy: 1.2426496991955671
Energy: 1.202415208673839
Energy: 1.3632014015006586
Energy: 1.1708008879923468
Energy: 1.5647413223519455
Energy: 1.1708008879923468
Energy: 1.3547034401527742
Energy: 1.1708950723069653
Energy: 1.563415008762373
Energy: 1.1708950723059235
Energy: 1.186162489946915
Energy: 1.201799439372994
Energy: 1.2078930035126716
Energy: 1.201799439372994
Energy: 1.1884147424196772
Energy: 1.202223367897886
Energy: 1.2429162781527692
Energy: 1.202223367896844
Energy: 1.186125634246817
Energy: 1.2178035124665327
Energy: 1.207854465365567
Energy: 1.2178035124665327
Energy: 1.1946694877897768
Energy: 1.2042080005500795
Energy: 1.1616385922612196
Energy: 1.2042080005500795
Energy: 1.3019989615854388
Energy: 1.207277027619992
Energy: 1.165924350763318
Energy: 1.207277027621034
Energy: 1.203307969055025
Energy: 1.2010432585369708
Energy: 1.20634202118105
Energy: 1.2010432585369708
Energy: 1.3082620490714727
Energy: 1.1680401790838366
Energy: 1.3634232258991184
Energy: 1.1680401790838366
Energy: 1.5986628424837988
Energy: 1.1932125015111603
Energy: 1.2547609014388057
Energy: 1.1932125015111603
Energy: 1.361782700736255
Energy: 1.179726174108688
Energy: 1.436904554911031
Energy: 1.179726174110772

minimum gb energy = 1.1616385922612196 eV
minimum distance =  2.23918164743389 Angstroms
sigma value = 89


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

Energy: 1.2742780853793385
Energy: 1.136879514002388
Energy: 1.7971143007788093
Energy: 1.136879514002109
Energy: 1.2325243049057113
Energy: 1.3223228197779764
Energy: 1.2559122022551286
Energy: 1.3223228197779764
Energy: 1.2335882091992665
Energy: 1.127167701762705
Energy: 1.1421284654082042
Energy: 1.1271677017629842
Energy: 1.1537430915575086
Energy: 1.1426588242817215
Energy: 1.3010559152483046
Energy: 1.1426588242814426
Energy: 1.1559328229558785
Energy: 1.1425638886851355
Energy: 1.1249649107440465
Energy: 1.1425638886848566
Energy: 1.1471212955610695
Energy: 1.2724677976395604
Energy: 1.2078007256178367
Energy: 1.272467797639282
Energy: 1.146895145097582
Energy: 1.1275472812127985
Energy: 1.1249362279178203
Energy: 1.1275472812130463
Energy: 1.148795223553981
Energy: 1.154766058496047
Energy: 1.2527406175284135
Energy: 1.1547660584962949
Energy: 1.2343457440710548
Energy: 1.1428895719346563
Energy: 1.1275548991377013
Energy: 1.1428895719343777
Energy: 1.1479804321844111
Energy: 1.1424420187127748
Energy: 1.1273184064629462
Energy: 1.142442018712496
Energy: 1.2304886247395699
Energy: 1.1273846956602491
Energy: 1.2640762192248212
Energy: 1.1273846956602491
Energy: 1.2304944436309886
Energy: 1.1277830662777164
Energy: 1.2641092297799112
Energy: 1.1277830662777164
Energy: 1.234429135414003
Energy: 1.1429871175381798
Energy: 1.1279356052984657
Energy: 1.1429871175384587
Energy: 1.2331519416868078
Energy: 1.142416128549318
Energy: 1.1271221097435191
Energy: 1.142416128549318
Energy: 1.1465792968753037
Energy: 1.1432231198807399
Energy: 1.1817221257906712
Energy: 1.143223119880988

minimum gb energy = 1.1249362279178203 eV
minimum distance =  2.24017087388214 Angstroms
sigma value = 13


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

Energy: 1.1934418085227412
Energy: 1.0981917547945688
Energy: 1.716958134605525
Energy: 1.0981917547945688
Energy: 1.1730943609378781
Energy: 1.2411180649908116
Energy: 1.142950226131085
Energy: 1.2411180649908116
Energy: 1.1576342284157186
Energy: 1.0690120489142145
Energy: 1.1506142430121526
Energy: 1.0690120489130719
Energy: 1.1331886881198032
Energy: 1.141448337530154
Energy: 1.1448767621361888
Energy: 1.1414483375324393
Energy: 1.095032677479885
Energy: 1.0774863193079618
Energy: 1.1068780506260285
Energy: 1.0774863193068192
Energy: 1.2017078499617693
Energy: 1.07800280112608
Energy: 1.1360077614987951
Energy: 1.07800280112608
Energy: 1.1038400571083355
Energy: 1.0690889513923814
Energy: 1.1060389627669414
Energy: 1.0690889513923814
Energy: 1.1101572296142805
Energy: 1.100155416853275
Energy: 1.1046631752905056
Energy: 1.1001554168521324
Energy: 1.1017470015889497
Energy: 1.0772338728491484
Energy: 1.0946190655898815
Energy: 1.0772338728491484
Energy: 1.2707309708836283
Energy: 1.077995879614599
Energy: 1.14444343828398
Energy: 1.077995879613456
Energy: 1.1452157387685797
Energy: 1.069081364359188
Energy: 1.1519450021952107
Energy: 1.069081364359188
Energy: 1.1295593587997579
Energy: 1.0713695690551992
Energy: 1.1014481054302532
Energy: 1.0713695690551992
Energy: 1.1612088765159057
Energy: 1.091750406145294
Energy: 1.1745256835752307
Energy: 1.0917504061441512
Energy: 1.1797728672715189
Energy: 1.0950183046004949
Energy: 1.2672401982735653
Energy: 1.0950183046004949
Energy: 1.1451983075287622
Energy: 1.0680519596553344
Energy: 1.1510736846724225
Energy: 1.0680519596553344
Energy: 1.1296728407076273
Energy: 1.0683175513370515
Energy: 1.1569360502687978
Energy: 1.0683175513370515
Energy: 1.1616320449630688
Energy: 1.0772232659281988
Energy: 1.0947626681755005
Energy: 1.0772232659281988
Energy: 1.1071290257798778
Energy: 1.0778349272120193
Energy: 1.1546227268433422
Energy: 1.0778349272120193
Energy: 1.103884984598458
Energy: 1.0676570398788978
Energy: 1.1104729602797563
Energy: 1.0676570398777552
Energy: 1.110173977447314
Energy: 1.067618200842768
Energy: 1.1038471141662567
Energy: 1.067618200842768
Energy: 1.1546201591825858
Energy: 1.0778640502937014
Energy: 1.1080051029816762
Energy: 1.077864050294844
Energy: 1.0945714398395356
Energy: 1.0772382901873772
Energy: 1.1616320449698732
Energy: 1.0772382901873772
Energy: 1.1569360502665123
Energy: 1.0685219952528484
Energy: 1.1296821828426058
Energy: 1.0685219952528484
Energy: 1.1510736846678515
Energy: 1.06803279966048
Energy: 1.14520087164635
Energy: 1.06803279966048
Energy: 1.26711484245656
Energy: 1.0948263069378967
Energy: 1.179750101379132
Energy: 1.0948263069390396
Energy: 1.1746984785177528
Energy: 1.0917144185586904
Energy: 1.1612088765113349
Energy: 1.0917144185586904
Energy: 1.1013169965541532
Energy: 1.071205356241623
Energy: 1.1295938507997358
Energy: 1.0712053562404804
Energy: 1.1519450021952107
Energy: 1.0688153421460609
Energy: 1.1452018241436739
Energy: 1.068815342144918
Energy: 1.144451201440276
Energy: 1.0779922166031934
Energy: 1.2708306356949628
Energy: 1.0779922166020508
Energy: 1.0945355843019127
Energy: 1.0772207868681074
Energy: 1.101885912758832
Energy: 1.0772207868681074
Energy: 1.1049999795808032
Energy: 1.1002816980532983
Energy: 1.1107664180609025
Energy: 1.1002816980532983
Energy: 1.1059545634862082
Energy: 1.0690956093246011
Energy: 1.1038346392750127
Energy: 1.0690956093246011
Energy: 1.136068651508596
Energy: 1.0777669182056213
Energy: 1.201662041922413
Energy: 1.0777669182044785
Energy: 1.106828636997576
Energy: 1.0774863391360028
Energy: 1.0948773127149516
Energy: 1.0774863391360028
Energy: 1.1448577354078524
Energy: 1.1414072745286628
Energy: 1.1329848516043646
Energy: 1.1414072745286628

minimum gb energy = 1.067618200842768 eV
minimum distance =  2.2566543770642 Angstroms
sigma value = 37


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

Energy: 1.2044706630758801
Energy: 1.044233837588889
Energy: 1.6313801981811267
Energy: 1.0442338375892688
Energy: 1.221230799664276
Energy: 1.2839104820361011
Energy: 1.1461786403943113
Energy: 1.2839104820361011
Energy: 1.1300183236632784
Energy: 1.0021150436660176
Energy: 1.1671516727125992
Energy: 1.0021150436662187
Energy: 1.1680870643746148
Energy: 1.0266538990072287
Energy: 1.1460420244693037
Energy: 1.0266538990074074
Energy: 1.0784606906708207
Energy: 1.0016559211728124
Energy: 1.1241837632427218
Energy: 1.0016559211728124
Energy: 1.1682182945700263
Energy: 1.0156034731099517
Energy: 1.0896956324840839
Energy: 1.0156034731101304
Energy: 1.0612129932200158
Energy: 1.0024621474864936
Energy: 1.1000927414216752
Energy: 1.0024621474862927
Energy: 1.1111406666839654
Energy: 1.363589765531307
Energy: 1.127241333219334
Energy: 1.363589765531508
Energy: 1.0594025716549376
Energy: 1.0009134848142447
Energy: 1.0839558161294653
Energy: 1.0009134848140435
Energy: 1.1677267677659673
Energy: 1.0161189640137869
Energy: 1.0805858167811178
Energy: 1.0161189640133848
Energy: 1.067257145435702
Energy: 1.0005147885305952
Energy: 1.1235178860389656
Energy: 1.0005147885305952
Energy: 1.0673689192335856
Energy: 1.0162038807674534
Energy: 1.2316275533837289
Energy: 1.0162038807672524
Energy: 1.130306767240659
Energy: 1.0006267564950329
Energy: 1.1245157348746588
Energy: 1.0006267564948317
Energy: 1.061364257436806
Energy: 1.0003988801995647
Energy: 1.1234308528664574
Energy: 1.0003988801997656
Energy: 1.166646594857476
Energy: 1.0420457076357084
Energy: 1.1229094130656516
Energy: 1.0420457076357084
Energy: 1.1450051031800246
Energy: 1.0432728639086737
Energy: 1.1199319606785956
Energy: 1.0432728639088522
Energy: 1.130143192637314
Energy: 1.0003897009908436
Energy: 1.1335109045497613
Energy: 1.0003897009908436
Energy: 1.128719237727618
Energy: 1.000558214567339
Energy: 1.1233920384456662
Energy: 1.0005582145671381
Energy: 1.0672688842363498
Energy: 1.0002112867978648
Energy: 1.1237041894672863
Energy: 1.0002112867976636
Energy: 1.0675358353721591
Energy: 1.0168810775819823
Energy: 1.1324683446705293
Energy: 1.0168810775819823

minimum gb energy = 1.0002112867976636 eV
minimum distance =  2.25068780272798 Angstroms
sigma value = 25


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

Energy: 1.1323388125661578
Energy: 0.9455666840608086
Energy: 1.4137872855418006
Energy: 0.9455666840608086
Energy: 1.0701756368115916
Energy: 1.162874328182567
Energy: 1.0395159907639
Energy: 1.162874328188708
Energy: 1.0315902835678623
Energy: 0.9275133827340002
Energy: 1.0915503049989583
Energy: 0.9275133827340002
Energy: 1.042212867685657
Energy: 0.9745529422188205
Energy: 1.0955238442083421
Energy: 0.9745529422188205
Energy: 1.0298090266669464
Energy: 0.9063957723053999
Energy: 1.0107656292026928
Energy: 0.9063957723069352
Energy: 1.0418926075163761
Energy: 0.952205673542269
Energy: 1.0486309602898294
Energy: 0.952205673542269
Energy: 0.9845822339104029
Energy: 0.90835859391165
Energy: 1.0104661419166865
Energy: 0.90835859391165
Energy: 1.0189560493472616
Energy: 0.9117611722690515
Energy: 1.0683169788936902
Energy: 0.9117611722690515
Energy: 0.9713930414455212
Energy: 0.9061290363338834
Energy: 0.9845717199050869
Energy: 0.9061290363338834
Energy: 1.0357718110644059
Energy: 1.2742862375822785
Energy: 1.0091497291101827
Energy: 1.2742862375822785
Energy: 0.9730399202267691
Energy: 0.9087255634724747
Energy: 0.9849776675636865
Energy: 0.9087255634724747
Energy: 1.0178216142177134
Energy: 0.9152517590268707
Energy: 1.067718070641361
Energy: 0.9152517590268707
Energy: 0.9770810017153084
Energy: 0.9060224101227403
Energy: 1.0055587471847818
Energy: 0.9060224101227403
Energy: 1.018071207514464
Energy: 1.0114512916600198
Energy: 1.0056382473016818
Energy: 1.0114512916600198
Energy: 1.01886322587474
Energy: 0.9060302270975792
Energy: 1.0135393375170223
Energy: 0.9060302270975792
Energy: 1.0317625322825734
Energy: 0.9055063169343278
Energy: 0.9849966341226255
Energy: 0.9055063169343278
Energy: 1.0272888979789252
Energy: 0.9277794015655711
Energy: 1.0664343555828597
Energy: 0.9277794015655711
Energy: 0.9795752051614985
Energy: 0.9851065411071562
Energy: 1.045341715490128
Energy: 0.9851065411071562
Energy: 1.1051930439376565
Energy: 0.9446505566737731
Energy: 1.0144499243865956
Energy: 0.9446505566737731
Energy: 1.0695513148237012
Energy: 0.9714007989519546
Energy: 1.0534664350183904
Energy: 0.9714007989519546
Energy: 1.0272166153347924
Energy: 0.92790868722502
Energy: 1.066085279808459
Energy: 0.92790868722502
Energy: 1.018443172520834
Energy: 0.9253716789707924
Energy: 1.045361996220842
Energy: 0.9253716789707924
Energy: 1.0190048083596568
Energy: 0.9067975872188269
Energy: 1.0101556988110676
Energy: 0.9067975872188269
Energy: 1.0533187334511616
Energy: 0.9058615962061104
Energy: 1.0317118772235792
Energy: 0.9058615962061104
Energy: 0.978880856080579
Energy: 0.9070257464087473
Energy: 1.0049088197005174
Energy: 0.9070257464102826
Energy: 1.026915872359385
Energy: 0.912324177084573
Energy: 1.0053500767184214
Energy: 0.912324177084573

minimum gb energy = 0.9055063169343278 eV
minimum distance =  2.25778704903104 Angstroms
sigma value = 41


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

Energy: 1.1005914319928667
Energy: 0.8803871830506669
Energy: 1.2585347262424145
Energy: 0.8803871830506669
Energy: 0.9393880124764288
Energy: 1.0532196515101075
Energy: 0.9690185766375923
Energy: 1.0532196515101075
Energy: 0.9493649304879369
Energy: 0.852968610784189
Energy: 1.036891740101724
Energy: 0.852968610784189
Energy: 0.9635485309947559
Energy: 0.9108506036889894
Energy: 0.9676109955626763
Energy: 0.9108506036889894
Energy: 1.0103429335662997
Energy: 0.8426456585696531
Energy: 0.9294865395353329
Energy: 0.8426456585683946
Energy: 0.9638018438882118
Energy: 0.9036085858814495
Energy: 0.9635443165612287
Energy: 0.9036085858827082
Energy: 0.9263195422806009
Energy: 0.8305652456997336
Energy: 0.9644723507633103
Energy: 0.8305652456997336
Energy: 0.966467980509249
Energy: 0.9055901209462517
Energy: 0.9632748591496967
Energy: 0.9055901209462517
Energy: 0.9522025834392527
Energy: 0.83057284910814
Energy: 0.9087505077609673
Energy: 0.83057284910814
Energy: 0.9921599985179951
Energy: 0.9470090569815052
Energy: 0.9632506430735679
Energy: 0.9470090569815052
Energy: 0.9237372294133122
Energy: 0.8322967116158948
Energy: 0.9170275590100718
Energy: 0.8322967116158948
Energy: 0.9418608209006155
Energy: 1.2133156403960415
Energy: 0.9752062134604363
Energy: 1.2133156403960415
Energy: 0.9244108992384107
Energy: 0.8307111112079052
Energy: 0.9160582909906504
Energy: 0.8307111112079052
Energy: 0.9942994995692689
Energy: 0.8372934021706846
Energy: 0.9532915306886786
Energy: 0.8372934021706846
Energy: 0.9496534502238672
Energy: 0.8308452105745968
Energy: 0.9074045662172688
Energy: 0.8308452105745968
Energy: 0.9465929713325864
Energy: 0.9336303717058781
Energy: 1.0209433021915737
Energy: 0.9336303717058781
Energy: 0.929471802800822
Energy: 0.8306347509888587
Energy: 0.9562822479757801
Energy: 0.8306347509888587
Energy: 0.9678606862161584
Energy: 0.8306775234226962
Energy: 0.967663348970749
Energy: 0.8306775234226962
Energy: 0.9928930144894078
Energy: 0.8426160468951558
Energy: 0.9311357253266538
Energy: 0.8426160468951558
Energy: 0.9732801368858203
Energy: 0.903225399289137
Energy: 0.9322362561616614
Energy: 0.9032253992878786
Energy: 0.9474018690970816
Energy: 0.8518288439947757
Energy: 1.0145733799240158
Energy: 0.8518288439947757
Energy: 0.9400589556196605
Energy: 0.9189499710753799
Energy: 0.9694433401241671
Energy: 0.9189499710753799
Energy: 1.067176903292403
Energy: 0.8800235680862718
Energy: 0.9332987606385109
Energy: 0.8800235680862718
Energy: 0.9933532009240402
Energy: 0.9155371943586276
Energy: 0.9596904350954989
Energy: 0.9155371943586276
Energy: 0.9474274054028283
Energy: 0.8519096229003226
Energy: 1.0145529168153826
Energy: 0.8519096228990638
Energy: 0.967749076904211
Energy: 0.8934342348574196
Energy: 0.9678392713193252
Energy: 0.8934342348574196
Energy: 0.9928867445326767
Energy: 0.84257872553915
Energy: 0.9338273951960239
Energy: 0.84257872553915
Energy: 0.9733103669164527
Energy: 0.842523961839732
Energy: 0.9703701340532549
Energy: 0.842523961839732
Energy: 0.9286706602744268
Energy: 0.8307410288555246
Energy: 0.9554612909006456
Energy: 0.8307410288555246
Energy: 0.9658761781690155
Energy: 0.8301669943498391
Energy: 0.9666253080562178
Energy: 0.8301669943498391
Energy: 0.9500444115648843
Energy: 0.8307147594600542
Energy: 0.9107917516148477
Energy: 0.8307147594600542
Energy: 0.9469307572744102
Energy: 0.8343065162563266
Energy: 0.9528130193440835
Energy: 0.8343065162563266

minimum gb energy = 0.8301669943498391 eV
minimum distance =  2.26043392632772 Angstroms
sigma value = 15


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

Energy: 1.0356912182351488
Energy: 0.8157802874228129
Energy: 1.1413082416080764
Energy: 0.8157802874228129
Energy: 0.9129499287106814
Energy: 0.9691212883687194
Energy: 0.8969879295338239
Energy: 0.9691212883687194
Energy: 0.9643521809390315
Energy: 0.8039233872020934
Energy: 0.9835223020880933
Energy: 0.8039233872020934
Energy: 0.9077860399365727
Energy: 0.8445064044786733
Energy: 0.8972092234748128
Energy: 0.8445064044765409
Energy: 0.9612766000018926
Energy: 0.7864619081710043
Energy: 0.8657539560517682
Energy: 0.7864619081710043
Energy: 0.9075430459503482
Energy: 0.840066158939603
Energy: 0.9004341932168399
Energy: 0.8400661589364042
Energy: 0.857996508091619
Energy: 0.7776531740356456
Energy: 0.9283263149747165
Energy: 0.7776531740345795
Energy: 0.9015788406077064
Energy: 0.841763697626151
Energy: 0.9005967419037985
Energy: 0.8417636976272173
Energy: 0.9069010300044028
Energy: 0.7698376989854683
Energy: 0.8494538054047508
Energy: 0.7698376989865346
Energy: 0.9020462071912542
Energy: 0.8437585992112622
Energy: 0.903392884192303
Energy: 0.8437585992091295
Energy: 0.8556404005248079
Energy: 0.7695174935271825
Energy: 0.8808518748314637
Energy: 0.7695174935271825
Energy: 0.9017749807997774
Energy: 0.90648430143761
Energy: 0.9290473992499165
Energy: 0.9064843014365439
Energy: 0.8758167474458175
Energy: 0.7708359856416707
Energy: 0.8599630298003889
Energy: 0.7708359856406045
Energy: 0.9122696400848072
Energy: 0.7941345626002727
Energy: 0.8871870798677401
Energy: 0.7941345625992066
Energy: 0.871401396596869
Energy: 0.76981240599967
Energy: 0.8562920576449384
Energy: 0.7698124060007363
Energy: 0.9013836573993185
Energy: 0.9532073866071014
Energy: 0.9374432561345292
Energy: 0.953207386604969
Energy: 0.8560554961698559
Energy: 0.7697031933540358
Energy: 0.8823399883299293
Energy: 0.7697031933540358
Energy: 0.9452828592155097
Energy: 0.8711965534832751
Energy: 0.8962551330603691
Energy: 0.8711965534843413
Energy: 0.9064326899097241
Energy: 0.7697728954921511
Energy: 0.8539185882197302
Energy: 0.7697728954921511
Energy: 0.9140377801072291
Energy: 0.7832620038462214
Energy: 0.8981745058375895
Energy: 0.7832620038462214
Energy: 0.8603949626858788
Energy: 0.7769593503619031
Energy: 0.9103654226025018
Energy: 0.7769593503619031
Energy: 0.8963906176542629
Energy: 0.8352537692733296
Energy: 0.9162081124588054
Energy: 0.8352537692722635
Energy: 0.9476678058247885
Energy: 0.78652874754556
Energy: 0.8663446679604023
Energy: 0.78652874754556
Energy: 0.9019655412925044
Energy: 0.8426322963901913
Energy: 0.8778186646010065
Energy: 0.8426322963901913
Energy: 0.8819729027834076
Energy: 0.8034103357301827
Energy: 0.9620760892776036
Energy: 0.803410335731249
Energy: 0.8738356005622093
Energy: 0.85295468002281
Energy: 0.9189728536322705
Energy: 0.8529546800238764
Energy: 1.0094336439907363
Energy: 0.8171175309334447
Energy: 0.8685918331920351
Energy: 0.8171175309334447
Energy: 0.9129673465498631
Energy: 0.8576652627138156
Energy: 0.877684819228234
Energy: 0.8576652627148819
Energy: 0.8879052793410385
Energy: 0.8022149009820198
Energy: 0.9621783319285382
Energy: 0.8022149009820198
Energy: 0.8961712520099913
Energy: 0.842721414224875
Energy: 0.9191041333476374
Energy: 0.8427214142259413
Energy: 0.9480760319958377
Energy: 0.7862542089258446
Energy: 0.868566020837221
Energy: 0.7862542089258446
Energy: 0.9021283025257559
Energy: 0.8386565898317756
Energy: 0.8982470380256118
Energy: 0.8386565898307093
Energy: 0.8594882699290242
Energy: 0.7770667638195634
Energy: 0.9177353037570427
Energy: 0.7770667638206297
Energy: 0.8997186654470822
Energy: 0.7772532787191941
Energy: 0.9118807956755418
Energy: 0.7772532787181278
Energy: 0.9064366570239029
Energy: 0.7695240300779467
Energy: 0.8656429915295655
Energy: 0.7695240300768805
Energy: 0.9056075338923699
Energy: 0.7803976094252938
Energy: 0.9026898829672274
Energy: 0.78039760942636
Energy: 0.8640583686572278
Energy: 0.7697334481247616
Energy: 0.882344872890658
Energy: 0.7697334481258279

minimum gb energy = 0.7695174935271825 eV
minimum distance =  2.26244831839235 Angstroms
sigma value = 85


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

Energy: 1.0307968935524188
Energy: 0.7794673583466971
Energy: 1.0300862753254023
Energy: 0.7794673583466971
Energy: 0.8030685697576531
Energy: 0.9079907689264145
Energy: 0.8399964683465294
Energy: 0.9079907689264145
Energy: 0.7883411151134929
Energy: 0.7741617612919519
Energy: 0.9903250522147153
Energy: 0.7741617612919519
Energy: 0.8252563009616213
Energy: 0.7591924884444704
Energy: 0.8400399124815343
Energy: 0.7591924884444704
Energy: 0.9396742171765428
Energy: 0.7367053968422644
Energy: 0.7810249332789903
Energy: 0.7367053968422644
Energy: 0.825318389788376
Energy: 0.7552660501902916
Energy: 0.8367400537762226
Energy: 0.7552660501902916
Energy: 0.7817948811258273
Energy: 0.7357744744460157
Energy: 0.9127885904911084
Energy: 0.7357744744460157
Energy: 0.8268462941015582
Energy: 0.8038244855941191
Energy: 0.8369376917941792
Energy: 0.8038244855941191
Energy: 0.8783818912055348
Energy: 0.7128998538375668
Energy: 0.7956216406730501
Energy: 0.7128998538375668
Energy: 0.8271443085952306
Energy: 0.7683791286255244
Energy: 0.8422616686688953
Energy: 0.7683791286255244
Energy: 0.7710148712316227
Energy: 0.7128215878475443
Energy: 0.8542247987140322
Energy: 0.7128215878475443
Energy: 0.843220659730796
Energy: 0.7856867743111525
Energy: 0.8421705864960133
Energy: 0.7856867743102278
Energy: 0.8244343669656917
Energy: 0.7125667881798631
Energy: 0.7965125899680978
Energy: 0.7125667881798631
Energy: 0.8710950538010176
Energy: 0.8530646328648248
Energy: 0.8422397963531413
Energy: 0.8530646328648248
Energy: 0.7840525905856167
Energy: 0.7129457473729429
Energy: 0.8137944344031581
Energy: 0.7129457473729429
Energy: 0.8306080892668521
Energy: 0.7219596801039636
Energy: 0.8481149458910792
Energy: 0.7219596801039636
Energy: 0.788011216744299
Energy: 0.7128925842948644
Energy: 0.8123273326192938
Energy: 0.7128925842948644
Energy: 0.8730891876690817
Energy: 0.9039147389343437
Energy: 0.8414209960464297
Energy: 0.9039147389324943
Energy: 0.8191148753188146
Energy: 0.7126384271830428
Energy: 0.7932557045311451
Energy: 0.7126384271830428
Energy: 0.8426219503266006
Energy: 0.8169297580846023
Energy: 0.8734392596938906
Energy: 0.8169297580846023
Energy: 0.7740020027940507
Energy: 0.7126146065608413
Energy: 0.8463070614331447
Energy: 0.7126146065608413
Energy: 0.8270871525377587
Energy: 0.7057345988789604
Energy: 0.8403900451285938
Energy: 0.7057345988789604
Energy: 0.8583912961189641
Energy: 0.7114928704150847
Energy: 0.7957108015460919
Energy: 0.7114928704150847
Energy: 0.849959481922341
Energy: 0.7672791117102447
Energy: 0.815802350111582
Energy: 0.7672791117102447
Energy: 0.7831278572416076
Energy: 0.7365833596788345
Energy: 0.8933488802816196
Energy: 0.7365833596788345
Energy: 0.8254293576571742
Energy: 0.7557663270378934
Energy: 0.8368771381931864
Energy: 0.7557663270378934
Energy: 0.9109421168854921
Energy: 0.7369499490669753
Energy: 0.7814824566149238
Energy: 0.7369499490669753
Energy: 0.8585446911792215
Energy: 0.7691458038564495
Energy: 0.7839507270530647
Energy: 0.7691458038555246
Energy: 0.7875675188604032
Energy: 0.7743239936712579
Energy: 0.9531723053840536
Energy: 0.7743239936712579
Energy: 0.8042188208081438
Energy: 0.7618730285825832
Energy: 0.8398320095968395
Energy: 0.7618730285825832
Energy: 0.9773219990566956
Energy: 0.779778841216237
Energy: 0.7833279643834916
Energy: 0.779778841216237
Energy: 0.8740908829512475
Energy: 0.7815028805089391
Energy: 0.783851256098323
Energy: 0.7815028805089391
Energy: 0.7873340532468839
Energy: 0.7743174072721211
Energy: 0.9532117087624544
Energy: 0.7743174072721211
Energy: 0.8251335575803461
Energy: 0.7587223282030048
Energy: 0.8399436367288996
Energy: 0.7587223282030048
Energy: 0.9109802965920282
Energy: 0.7371620596198131
Energy: 0.7831798952803125
Energy: 0.7371620596198131
Energy: 0.858336413715523
Energy: 0.7674401631714697
Energy: 0.8156473224816256
Energy: 0.7674401631705449
Energy: 0.783045584221321
Energy: 0.7352446044230778
Energy: 0.8931252446196262
Energy: 0.7352446044240025
Energy: 0.8269110916315819
Energy: 0.8070824834328858
Energy: 0.8368926672036966
Energy: 0.8070824834328858
Energy: 0.8583705505302092
Energy: 0.7114752833488264
Energy: 0.7947844655823838
Energy: 0.7114752833488264
Energy: 0.850376307172578
Energy: 0.7020950107039702
Energy: 0.8295379448872386
Energy: 0.7020950107039702
Energy: 0.771061508895653
Energy: 0.7116836056521856
Energy: 0.8463762520323703
Energy: 0.7116836056521856
Energy: 0.8429910641420768
Energy: 0.7055602358229893
Energy: 0.8409753973259859
Energy: 0.7055602358229893
Energy: 0.8190443789766093
Energy: 0.7014705438767923
Energy: 0.7937642788812379
Energy: 0.7014705438767923

minimum gb energy = 0.7014705438767923 eV
minimum distance =  2.270131276906 Angstroms
sigma value = 113


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

Energy: 0.014457169699082095
Energy: 0.0146054786159382
Energy: 1.3542573512049547
Energy: 0.014605478615227305
Energy: 0.015108526786465066
Energy: 0.6564978668245306
Energy: 0.015108526786465066
Energy: 0.6564978668238198
Energy: 1.3542573512049547
Energy: 0.0146054786159382
Energy: 0.014457169699082095
Energy: 0.014605478615227305
Energy: 0.015108526785754165
Energy: 0.6564978668245306
Energy: 0.015108526786465066
Energy: 0.6564978668245306
Energy: 0.014457169699082095
Energy: 0.0146054786159382
Energy: 1.3542573512049547
Energy: 0.014605478615227305
Energy: 0.015108526785754165
Energy: 0.6564978668245306
Energy: 0.015108526786465066
Energy: 0.6564978668245306

minimum gb energy = 0.014457169699082095 eV
minimum distance =  2.41169240409835 Angstroms
sigma value = 1