Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391808986664
cohesive_energy=4.4503500145001
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6514595872618398e-19, 2.3783350825749596e-19, 2.96389859876928e-19, 3.4647870798566995e-19, 3.90533758890768e-19, 4.2987039960873597e-19, 4.65299331516378e-19, 4.97357283786084e-19, 5.26433585339916e-19, 5.528102192654579e-19, 5.76708285938202e-19, 5.983040247878879e-19, 6.177368251816739e-19, 6.35123646013842e-19, 6.50565424412334e-19, 6.64145473562118e-19, 6.759374935883579e-19, 6.860039693797799e-19, 6.94402579295208e-19, 7.0118459298693e-19, 7.0639166704743e-19, 7.100686624224599e-19, 7.122492248213339e-19, 7.1296860213e-19, 7.12178729049438e-19, 7.095912137855279e-19, 7.04823136122744e-19, 6.97409864837226e-19, 6.86784229400538e-19, 6.722444764469881e-19, 6.52931839300752e-19, 6.27766450910514e-19, 5.954104937868839e-19, 5.54170467227724e-19, 5.01902658896742e-19, 4.35862540219896e-19, 3.5251090301268e-19, 2.47230274215906e-19, 1.1395176895764539e-19, -5.54306652241614e-20, -2.7185572908048597e-19, -5.503236411294899e-19, -9.11733033167406e-19, -1.3857642273390839e-18, -2.0154580967403e-18, -2.8647719304237e-18, -4.03146093353616e-18, -5.66983073769822e-18, -8.033281599343319e-18, -1.1557589541153118e-17, -1.7036424802312198e-17, -2.6023353977745e-17, -4.1855903257269604e-17, -7.26702460236648e-17]
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: 0.018089586040884946
Energy: 0.6300303947650233
Energy: 0.018899605194532678
Energy: 0.021308009554727135
Energy: 0.6301080409526166
Energy: 0.018794486785866024
Energy: 0.6300303947650233
Energy: 0.10736672003879676
Energy: 0.10735643122595863
Energy: 0.10718638281166992
Energy: 0.10738103493962987
Energy: 0.10729597798263824
Energy: 0.018899605194532678
Energy: 0.10735643122529763
Energy: 0.10719371895523305
Energy: 0.01895494080775301
Energy: 0.10734114556832672
Energy: 0.10822005141419971
Energy: 0.021308009554727135
Energy: 0.10718638281166992
Energy: 0.018954940807422504
Energy: 0.018507076210344257
Energy: 0.10712545259801805
Energy: 0.018828744189085082
Energy: 0.6301080409522861
Energy: 0.10738103493702257
Energy: 0.107341145569612
Energy: 0.10712545259768753
Energy: 0.10718407332492567
Energy: 0.10730087720681891
Energy: 0.018794486785866024
Energy: 0.10729597798296875
Energy: 0.10822005141419971
Energy: 0.018828744189415585
Energy: 0.10730087720747994
Energy: 0.019159605068796114

minimum gb energy = 0.018089586040884946 eV
minimum distance =  2.48366730890971 Angstroms
sigma value = 1


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

Energy: 1.64137072320593
Energy: 1.2376977223915515
Energy: 1.099180875948766
Energy: 1.1063130987577379
Energy: 1.2663406554008538
Energy: 1.1011366651056482
Energy: 1.5652571995474385
Energy: 1.1308726810163103
Energy: 1.0867386237489507
Energy: 1.0922550107424693
Energy: 1.1303990282752485
Energy: 1.1011496881788538
Energy: 1.7114897153667294
Energy: 1.127550969504302
Energy: 1.1287567238879064
Energy: 1.0838656530468989
Energy: 1.127761424507592
Energy: 1.072954757842217
Energy: 1.7185462345708187
Energy: 1.0732417037308595
Energy: 1.0478372681994275
Energy: 1.049832486816087
Energy: 1.0894638491254187
Energy: 1.0489114481703068
Energy: 1.567871459627669
Energy: 1.0930459326241428
Energy: 1.0916763376008607
Energy: 1.0971125148513208
Energy: 1.0932441217996645
Energy: 1.0984835198814098
Energy: 1.5602955539144898
Energy: 1.0914622418729987
Energy: 1.0898096647937905
Energy: 1.0804349118563603
Energy: 1.0939822816788747
Energy: 1.0908387166023608
Energy: 1.5588347706902983
Energy: 1.0913197327229134
Energy: 1.0933618727744105
Energy: 1.0806476596680608
Energy: 1.0896000264800412
Energy: 1.0833970490572093
Energy: 1.4810671061390375
Energy: 1.0866559982002026
Energy: 1.0838395545472195
Energy: 1.0279299089897318
Energy: 1.0768291983715177
Energy: 1.0896282476080796
Energy: 1.2794669072007938
Energy: 1.0830572885353291
Energy: 1.0808962479240467
Energy: 1.0948113443096708
Energy: 1.0828460483326843
Energy: 1.0882261851663189
Energy: 1.2759033223368965
Energy: 1.094707819494721
Energy: 1.0929465185787048
Energy: 1.0889941014733533
Energy: 1.0983878541252414
Energy: 1.0995220180249365
Energy: 1.2512039198535738
Energy: 1.053850528928059
Energy: 1.0537065305938944
Energy: 1.2709027929515209
Energy: 1.0532262086539337
Energy: 1.03783982154726
Energy: 1.129957556339871
Energy: 1.1022091862277763
Energy: 1.0987812094937162
Energy: 1.1314218855786844
Energy: 1.082881822062307
Energy: 1.1251291934947483
Energy: 1.1277266848192682
Energy: 1.090229539053317
Energy: 1.1030534086678931
Energy: 1.1280525457382538
Energy: 1.097041638584931
Energy: 1.0542176605182674
Energy: 1.2114140772829065
Energy: 1.0466989581417128
Energy: 1.0492784723549307
Energy: 1.1364682890925597
Energy: 1.049219408319376
Energy: 1.0470544627852973
Energy: 1.1662420852688151
Energy: 1.094879414457136
Energy: 1.092521724129094
Energy: 1.1105555747040816
Energy: 1.0975268514839664
Energy: 1.0708926988304417
Energy: 1.1717847538975583
Energy: 1.0825246593047078
Energy: 1.0558880343612391
Energy: 1.1150303498010279
Energy: 1.0854286278096472
Energy: 1.0810016168872192
Energy: 1.388581585940296
Energy: 1.0823875356671242
Energy: 1.071748900203325
Energy: 1.0707216786196472
Energy: 1.0813150451461788
Energy: 1.0815939739713996
Energy: 1.4167077686061162
Energy: 1.083933054392676
Energy: 1.0808141916797853
Energy: 1.080375381771752
Energy: 0.9906145592154428
Energy: 1.079974372965345
Energy: 1.417295746392466
Energy: 1.0831460808992035
Energy: 1.079579731170922
Energy: 1.0799603189760212
Energy: 1.0807521983101882
Energy: 1.0801893700287781
Energy: 1.4891521520472797
Energy: 1.085699914803014
Energy: 1.0807700083253227
Energy: 1.0793685927978474
Energy: 1.0799446830058488
Energy: 1.0796330869987265
Energy: 1.618749249635732
Energy: 1.0482394288308843
Energy: 1.052688577556593
Energy: 1.0778093574338286
Energy: 1.0642011196436538
Energy: 1.0536362776964383
Energy: 1.6294284539450379
Energy: 1.1144966673987582
Energy: 1.1130796266244773
Energy: 1.0779117461640486
Energy: 1.1124171526886228
Energy: 1.090255534866969
Energy: 1.628632049056088
Energy: 1.1108704548741453
Energy: 1.069816054057222
Energy: 1.110894276964965
Energy: 1.1103895498408896
Energy: 1.0959800649020184

minimum gb energy = 0.9906145592154428 eV
minimum distance =  2.28011452990207 Angstroms
sigma value = 33


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

Energy: 2.1522909171805145
Energy: 1.0705206837533403
Energy: 1.0799728034932272
Energy: 1.077352472577228
Energy: 1.1113041659056504
Energy: 1.072220561417711
Energy: 1.5407435945370866
Energy: 1.1101589246402777
Energy: 1.1103938834374532
Energy: 1.100476214272833
Energy: 1.1166731620194286
Energy: 1.1171438558041746
Energy: 1.5432097008539776
Energy: 1.1104593332176624
Energy: 1.1101929181292527
Energy: 1.1055122561540387
Energy: 1.1102815537813675
Energy: 1.1166001739696085
Energy: 1.5327034775196506
Energy: 1.1102758412526739
Energy: 1.1108391737100314
Energy: 1.1118599694493767
Energy: 1.1099429651514918
Energy: 1.067426837889607
Energy: 1.42029081962712
Energy: 1.1167461624187207
Energy: 1.1185288119386858
Energy: 1.0993725037344002
Energy: 1.1174470965714085
Energy: 1.1154443889000258
Energy: 1.5401607814210503
Energy: 1.1147359428506372
Energy: 1.1179275390887295
Energy: 1.1100729115841477
Energy: 1.1151989538147093
Energy: 1.1146772691442457
Energy: 1.5397472648252495
Energy: 1.1166596102309239
Energy: 1.0573176969160116
Energy: 1.1103320109514152
Energy: 1.1168920299356075
Energy: 1.112495153858036
Energy: 1.4199624844428658
Energy: 1.1034265041375664
Energy: 1.0992234774805154
Energy: 1.143754448458533
Energy: 1.0964070376273818
Energy: 1.0988495322493272
Energy: 1.2335481099634704
Energy: 1.10374737130207
Energy: 1.1114298865268355
Energy: 1.1158353582541556
Energy: 1.096073800307148
Energy: 1.1171835294617014
Energy: 1.2387244776523536
Energy: 1.1060241666376578
Energy: 1.1036361851534453
Energy: 1.114367325282691
Energy: 1.0993245817800894
Energy: 1.1027105582939598
Energy: 1.2307768040406981
Energy: 1.0170846409528238
Energy: 1.017480254526803
Energy: 1.1416220056291129
Energy: 1.101394013067209
Energy: 1.016657761736924
Energy: 1.1163510441157896
Energy: 1.096417198180004
Energy: 1.1011083003271591
Energy: 1.1175556492238086
Energy: 1.0967454788363615
Energy: 1.1174790226327718
Energy: 1.110221694052997
Energy: 1.1012256147623685
Energy: 1.101092679502156
Energy: 1.1102780756632473
Energy: 1.1012261148052822
Energy: 1.1104290040954803
Energy: 1.2952671231229889
Energy: 1.068318878674093
Energy: 1.067800847222823
Energy: 1.110780743327277
Energy: 1.0676231884297622
Energy: 1.0974637051579388
Energy: 1.2469046468769316
Energy: 1.104242969958652
Energy: 1.1031489697185393
Energy: 1.1160713079593043
Energy: 1.099331905186865
Energy: 1.115541854957823
Energy: 1.2375206648147534
Energy: 1.1111494258018595
Energy: 1.1104105899871002
Energy: 1.1152424566143064
Energy: 1.1098046154393881
Energy: 1.117621518864344
Energy: 1.41987808272889
Energy: 1.1100232133935184
Energy: 1.1104145760852826
Energy: 1.1147977585105102
Energy: 1.1099027327821736
Energy: 1.11607388313632
Energy: 1.3656856190902023
Energy: 1.1169393587495515
Energy: 1.056927129880199
Energy: 1.096186400701012
Energy: 1.1178107160672301
Energy: 1.0970513492420708
Energy: 1.3694889280227378
Energy: 1.1143087118603987
Energy: 1.1178806398064516
Energy: 1.0959782161809002
Energy: 1.1153598995710712
Energy: 1.1285244683342763
Energy: 1.4221372784440478
Energy: 1.118642783933812
Energy: 1.1177078071650692
Energy: 1.099799586840987
Energy: 1.1191983974041084
Energy: 1.1014241919084942
Energy: 1.7162304074173422
Energy: 1.0740530948785563
Energy: 1.0167944923804733
Energy: 1.1027265820668892
Energy: 1.115542370023816
Energy: 1.063096620862166
Energy: 1.5838651322288102
Energy: 1.1104581710840546
Energy: 1.1170894345766258
Energy: 1.09671552747017
Energy: 1.1104967342981247
Energy: 1.115854403457248
Energy: 1.424450447675407
Energy: 1.1105620258204674
Energy: 1.1102822487379473
Energy: 1.1006567612306914
Energy: 1.110397906148899
Energy: 1.1139580702933998
Energy: 1.535647970631222
Energy: 1.1671803729202643
Energy: 1.0702297844675723
Energy: 1.0684219581343097
Energy: 1.2028876857469408
Energy: 1.0986295684825547
Energy: 1.4235410904120014
Energy: 1.0558568354787752
Energy: 1.1153245059385797
Energy: 1.09985053213099
Energy: 1.1113193668594672
Energy: 1.114572562299327
Energy: 1.5449473334190393
Energy: 1.1137088786742027
Energy: 1.1162618392555725
Energy: 1.0557241084948346
Energy: 1.1140457154364931
Energy: 1.1149863404771834
Energy: 1.5376426579351137
Energy: 1.0716319573621436
Energy: 1.1167734231834454
Energy: 1.1130674739630515
Energy: 1.1417328848279504
Energy: 1.1148329152612062
Energy: 1.4206059289146153
Energy: 1.1016801913881114
Energy: 1.0975967261850286
Energy: 1.1163919376236748
Energy: 1.095810839730279
Energy: 1.1125287940805333
Energy: 1.2417218730302813
Energy: 1.1014806254182845
Energy: 1.097193563951386
Energy: 1.1182732395454402
Energy: 1.096038400440888
Energy: 1.115938629848543
Energy: 1.2404674509347726
Energy: 1.102964147775768
Energy: 1.1007159229756274
Energy: 1.1177055815030807
Energy: 1.0996988950878244
Energy: 1.1163093599178227
Energy: 1.2954672691785731
Energy: 1.0969868833549479
Energy: 1.1120167016967613
Energy: 1.1108475340904498
Energy: 1.0973085499228217
Energy: 1.0626957321360357
Energy: 1.110298995236614
Energy: 1.0968969970975588
Energy: 1.0969376299347888
Energy: 1.1102656702222533
Energy: 1.097248710545328
Energy: 1.1145205840413202
Energy: 1.11318054879944
Energy: 1.1029530783201098
Energy: 1.1058562193180501
Energy: 1.1147452067967918
Energy: 1.1000932069602802
Energy: 1.1104315233256858
Energy: 1.1099405162507479
Energy: 1.069125762001964
Energy: 1.0677226228413472
Energy: 1.1099103039375395
Energy: 1.0688038414173406
Energy: 1.0679655524689171
Energy: 1.237768976106161
Energy: 1.1004912995059677
Energy: 1.1011038526194137
Energy: 1.1110656517459296
Energy: 1.1002533597790556
Energy: 1.1142980924116417
Energy: 1.227892751604015
Energy: 1.1094295567179369
Energy: 1.107606542073969
Energy: 1.1163982670449821
Energy: 1.0558804501785257
Energy: 1.11815881512494
Energy: 1.4185554947865349
Energy: 1.1144715121459343
Energy: 1.1145190619714094
Energy: 1.2202916165961317
Energy: 1.1130780789500503
Energy: 1.0717005994724647
Energy: 1.3713170048195908
Energy: 1.115468752471839
Energy: 1.110866295300321
Energy: 1.0957349749094276
Energy: 1.1145951649170256
Energy: 1.1109542560486507
Energy: 1.3648544618037908
Energy: 1.1186644183939225
Energy: 1.1169217588907707
Energy: 1.0961291707522183
Energy: 1.1192143753922958
Energy: 1.0979545588781043
Energy: 1.420983587265942
Energy: 1.1140835517345618
Energy: 1.1173847892363558
Energy: 1.1096762352729024
Energy: 1.1150211170899873
Energy: 1.100312649154509
Energy: 1.709765310029931
Energy: 1.114840830314811
Energy: 1.103980624635192
Energy: 1.097898692093193
Energy: 1.11077783952205
Energy: 1.112129330807385

minimum gb energy = 1.016657761736924 eV
minimum distance =  2.28753789573737 Angstroms
sigma value = 51


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

Energy: 1.996585605699318
Energy: 1.09949509380656
Energy: 1.1368599365816277
Energy: 1.0432684258048481
Energy: 1.0729667076473874
Energy: 1.131175589409109
Energy: 1.4308097572246912
Energy: 1.122342155883941
Energy: 1.12275651550755
Energy: 1.0777593280867068
Energy: 1.122051779298791
Energy: 1.0722086713963324
Energy: 1.5648324069668327
Energy: 1.121989657112999
Energy: 1.1225661491272283
Energy: 1.1407445067171371
Energy: 1.1219210453744264
Energy: 1.073259644336539
Energy: 1.565395988455649
Energy: 1.072671308681725
Energy: 1.0404136539287447
Energy: 1.1048060805351236
Energy: 1.0727478556926708
Energy: 1.0014717825479138
Energy: 1.3627700479532379
Energy: 1.0926292925331624
Energy: 1.1233880963660818
Energy: 1.1406321640420878
Energy: 1.092567475715379
Energy: 1.1223322791863206
Energy: 1.3696555024981536
Energy: 1.1117057112045865
Energy: 1.1284772855798728
Energy: 1.1517749576570002
Energy: 1.1520353457137331
Energy: 1.111206362642604
Energy: 1.3688525523357693
Energy: 1.0189338320660724
Energy: 1.019547129275421
Energy: 1.1514581073964265
Energy: 1.0193088529037926
Energy: 1.095568711383602
Energy: 1.446253058698472
Energy: 1.0824156867733534
Energy: 1.0319609956825477
Energy: 1.0733171742909062
Energy: 1.0843324288017588
Energy: 1.049029087214165
Energy: 1.121709030768706
Energy: 1.1163238195329224
Energy: 1.1297130108877982
Energy: 1.1217476685239696
Energy: 1.1405008498197704
Energy: 1.073559226316319
Energy: 1.1222186154720106
Energy: 1.0884955996821635
Energy: 1.1167672485616797
Energy: 1.1221354240235535
Energy: 1.0194716310619114
Energy: 1.1227986897108837
Energy: 1.148895043808045
Energy: 1.108498037737106
Energy: 1.0327928309479173
Energy: 1.148708725123171
Energy: 1.1068729774621728
Energy: 1.0378572077918802
Energy: 1.1919593227867682
Energy: 1.020180670481838
Energy: 1.122083172582726
Energy: 1.1230670917803776
Energy: 1.0861711423146327
Energy: 1.1222153987285546
Energy: 1.1911378134447728
Energy: 1.0679435922007736
Energy: 1.1164572761185387
Energy: 1.1460750125472838
Energy: 1.090482607404049
Energy: 1.1398791183973085
Energy: 1.1921566931394716
Energy: 1.0235342844525435
Energy: 1.025033554427557
Energy: 1.1226737746178737
Energy: 0.98746500047482
Energy: 1.0250717202081543
Energy: 1.4600405578199354
Energy: 1.0253696868412494
Energy: 1.064926681512873
Energy: 1.1660920509094794
Energy: 1.0750644405671101
Energy: 1.1392400646738803
Energy: 1.4599708989062345
Energy: 1.1399923677590762
Energy: 1.1403854816831027
Energy: 1.1473683488052118
Energy: 1.1399072295154224
Energy: 1.0100362463309094
Energy: 1.4548082762515817
Energy: 1.144171702362931
Energy: 1.1402152742579046
Energy: 1.1409641031733837
Energy: 1.1432900046666021
Energy: 1.1407726350570404
Energy: 1.669658096478114
Energy: 1.0720480579563934
Energy: 1.0093994057599478
Energy: 1.1198440706114965
Energy: 1.0720138482258317
Energy: 1.0598047407929088

minimum gb energy = 0.98746500047482 eV
minimum distance =  2.30702825415703 Angstroms
sigma value = 19


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

Energy: 1.6398561152051894
Energy: 1.0331684293700658
Energy: 1.0399399144469468
Energy: 1.3122992688301582
Energy: 1.033033467666091
Energy: 1.043007010205083
Energy: 1.2437298167822706
Energy: 1.0308225190550098
Energy: 1.0307803192359173
Energy: 1.014599068855519
Energy: 1.030490306747127
Energy: 1.030542307786107
Energy: 1.2439866627984615
Energy: 1.031048824732545
Energy: 1.0310066081054787
Energy: 1.0145320139340428
Energy: 1.03053395855973
Energy: 1.030823240166594
Energy: 1.2399560837522814
Energy: 1.0309904696165035
Energy: 1.0311787240667751
Energy: 1.0546570949179803
Energy: 1.030626409510212
Energy: 1.0304389195341532
Energy: 1.243462366682411
Energy: 1.030508581410648
Energy: 1.0299513090756816
Energy: 1.014310023213615
Energy: 1.0310852445297882
Energy: 1.064174293392173
Energy: 1.2434732451504047
Energy: 1.006843573330782
Energy: 1.0632661232534555
Energy: 1.0295474841950387
Energy: 1.006756568261222
Energy: 1.061387366931515
Energy: 1.2435022005834178
Energy: 1.1330675278877196
Energy: 1.0632043450030235
Energy: 1.0322416661861207
Energy: 1.0145234711517923
Energy: 1.063691443350513
Energy: 1.1375594522268277
Energy: 1.0065759120284739
Energy: 1.0046476898564087
Energy: 1.1387448299956475
Energy: 1.0060102103728261
Energy: 1.0048138125718324
Energy: 1.0306874059294728
Energy: 1.050967488309419
Energy: 1.049179846114911
Energy: 1.030796614933945
Energy: 1.0063403918354388
Energy: 1.0064297791094665
Energy: 1.0316544937539915
Energy: 1.0656500800289666
Energy: 1.0304637474061107
Energy: 1.0312151307243749
Energy: 1.0146020415085513
Energy: 1.0306099332877965
Energy: 1.0301734702592102
Energy: 1.0549242881520597
Energy: 1.054967580597442
Energy: 1.030098455898033
Energy: 1.0546425887075492
Energy: 1.030913421011497
Energy: 1.2439060833936921
Energy: 1.063550479682101
Energy: 1.0621259701889953
Energy: 1.030017970132533
Energy: 1.0146232727668252
Energy: 1.0310539419454525
Energy: 1.006002088386625
Energy: 1.030903206696468
Energy: 1.0621907871910776
Energy: 1.00960401355309
Energy: 1.0296729023182343
Energy: 1.0611486842706128
Energy: 1.244114265242432
Energy: 1.0612478556295943
Energy: 1.0623159138360616
Energy: 1.0302222973734785
Energy: 1.062906394303613
Energy: 1.06213934837183
Energy: 1.4709667890138065
Energy: 1.030481603007322
Energy: 1.0306434960289346
Energy: 1.0065155882550147
Energy: 1.030122908861079
Energy: 1.007680069649398
Energy: 1.4752330669639793
Energy: 1.0312930609876012
Energy: 1.004995358804002
Energy: 1.0061647005697105
Energy: 1.030848941713625
Energy: 0.9931871374421513
Energy: 1.2431347401023016
Energy: 1.030766738832779
Energy: 1.0306913407807465
Energy: 1.0140533939523626
Energy: 1.0306081982821969
Energy: 1.0305926942310544
Energy: 1.2386753201329264
Energy: 1.030731190669784
Energy: 1.030988197732407
Energy: 1.0547093422623073
Energy: 1.030824701400826
Energy: 1.0308296079850616
Energy: 1.2386050161326456
Energy: 1.0306482069269423
Energy: 1.03025904647903
Energy: 1.0264965102974688
Energy: 1.0306124935804553
Energy: 1.0618058289728503
Energy: 1.2439228097793578
Energy: 1.0068133346279944
Energy: 1.0628223333331597
Energy: 1.0144638579537102
Energy: 1.0066698743710134
Energy: 1.0615815678596299
Energy: 1.243212117878851
Energy: 1.030378595445551
Energy: 1.0628586905801127
Energy: 1.0614546545082977
Energy: 1.030002168524687
Energy: 1.0620642323534388
Energy: 1.2438980852368404
Energy: 1.0635345713693514
Energy: 1.0676897075848861
Energy: 1.0316039078394872
Energy: 1.0147068639396069
Energy: 1.030616710358429
Energy: 1.1381548858234882
Energy: 0.9932636851002377
Energy: 1.005176597933582
Energy: 1.1381743082523816
Energy: 0.9931484229509269
Energy: 0.9940639298567442
Energy: 1.0305521869606156
Energy: 1.0634568053192257
Energy: 1.0307133219631068
Energy: 1.030464554097972
Energy: 1.0068198059623648
Energy: 1.0307171430177102
Energy: 1.0303555909158417
Energy: 1.0640312102521692
Energy: 1.030722148250402
Energy: 1.0305789171302508
Energy: 1.0144247574404532
Energy: 1.030881837482641
Energy: 1.1404967112389321
Energy: 1.054872638595361
Energy: 1.0572124338804028
Energy: 1.1408279022042778
Energy: 1.0549379881610972
Energy: 1.031224190605678
Energy: 1.2434799751135537
Energy: 1.0635326507412706
Energy: 1.0642297013910218
Energy: 1.0313139226936623
Energy: 1.014883100324283
Energy: 1.031989517749267
Energy: 1.0062327923219583
Energy: 1.0618733364476067
Energy: 1.0632821864882365
Energy: 1.0065325065902226
Energy: 1.0296833680771285
Energy: 1.0615728851201525
Energy: 1.1384970149239304
Energy: 1.0297409492755463
Energy: 1.0641798330540768
Energy: 1.015784201361497
Energy: 1.0296532995701297
Energy: 1.0621103830963607
Energy: 1.4716136506566415
Energy: 1.0311386760577723
Energy: 1.006996145964288
Energy: 1.006254683631587
Energy: 1.0303584965471022
Energy: 1.0069487566893391

minimum gb energy = 0.9931484229509269 eV
minimum distance =  2.36121608608733 Angstroms
sigma value = 27


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

Energy: 1.3849496502575713
Energy: 1.0240401995810866
Energy: 1.1691075954911172
Energy: 0.9796473044437285
Energy: 1.0270783401605432
Energy: 1.3086251702773946
Energy: 1.2969229237572444
Energy: 1.0512443618905811
Energy: 1.0515043912205329
Energy: 0.969211343894607
Energy: 1.051237295623875
Energy: 1.0519669149564406
Energy: 1.2191224256278277
Energy: 1.051486495312059
Energy: 1.0513882798637395
Energy: 0.9683086112317385
Energy: 1.0512008326889593
Energy: 1.051374530143417
Energy: 1.684317649890063
Energy: 1.051183681101007
Energy: 0.8984072236854194
Energy: 0.9678144412686221
Energy: 1.1089009052460264
Energy: 0.8980056665496999
Energy: 1.297454422040115
Energy: 1.0614312628695184
Energy: 0.9001184443031993
Energy: 0.9696125982035196
Energy: 1.0668815588677356
Energy: 0.9007914056722439
Energy: 1.0509681659311672
Energy: 0.9556380200925818
Energy: 0.9560214201131358
Energy: 1.0509752493876972
Energy: 1.1261285477476617
Energy: 0.9091937772850781
Energy: 1.0558456311203297
Energy: 0.9811241589246352
Energy: 0.9857272789164698
Energy: 1.0521458460798576
Energy: 0.9697465824348146
Energy: 0.9840201089080705
Energy: 1.0508366125889628
Energy: 0.948488493655607
Energy: 0.9485231192190804
Energy: 1.0507802580415901
Energy: 1.013496012372405
Energy: 1.0172244696958022
Energy: 1.2185582158775075
Energy: 0.9667594484819213
Energy: 0.9810078538246686
Energy: 1.0505697366397466
Energy: 0.9662916322868502
Energy: 0.9807798088649488
Energy: 1.2191656061417053
Energy: 1.0334483935193615
Energy: 0.981425647145597
Energy: 1.0515210345867347
Energy: 1.0984722641379518
Energy: 0.9816468834075662
Energy: 1.2183348758709194
Energy: 1.0329365113090543
Energy: 1.03199136617963
Energy: 1.053043949177303
Energy: 1.0340791531279667
Energy: 1.0357323610465137
Energy: 1.217698770572292
Energy: 1.051289312129611
Energy: 0.9816031622748013
Energy: 0.9692680838010941
Energy: 1.0515574647057562
Energy: 0.9807755887386916

minimum gb energy = 0.8980056665496999 eV
minimum distance =  2.34708504788414 Angstroms
sigma value = 9


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

Energy: 2.0570409763395046
Energy: 0.9656885292527833
Energy: 1.1489589071510042
Energy: 0.9804439312597569
Energy: 0.9655043332639391
Energy: 1.2107677803557044
Energy: 1.034692271945647
Energy: 0.9654677806462039
Energy: 0.9662224301301642
Energy: 0.9393271453739097
Energy: 0.9655913882082966
Energy: 0.9451395293108211
Energy: 1.0335249305178904
Energy: 0.9559238192033105
Energy: 0.9557638920356957
Energy: 0.9412137356359083
Energy: 0.9569142953032882
Energy: 0.969722981409885
Energy: 1.0398684007098993
Energy: 0.8868382077335103
Energy: 0.8865167740045619
Energy: 0.9455027974583339
Energy: 0.9899396999664661
Energy: 0.886651296061691
Energy: 1.109758321367844
Energy: 0.8960450159612213
Energy: 0.9266602186616134
Energy: 0.9458694987536765
Energy: 0.8957168556596028
Energy: 0.9278595670988539
Energy: 0.9879167652644454
Energy: 0.9968172907314321
Energy: 0.9666709743606825
Energy: 0.9879356351241781
Energy: 0.88474386467645
Energy: 0.9440965619785598
Energy: 0.9927306060001762
Energy: 0.8810861374877667
Energy: 0.8805895113744984
Energy: 0.992505749978509
Energy: 0.9231397857153998
Energy: 0.9885243610003682
Energy: 0.980098029374208
Energy: 0.9972191590751499
Energy: 0.9173604667920294
Energy: 0.9799760715950944
Energy: 0.9461519255922626
Energy: 0.9500866471348575
Energy: 1.154963375728189
Energy: 0.9000890101582151
Energy: 0.90187855109644
Energy: 0.9202589230018086
Energy: 0.9061344789125438
Energy: 0.8984052340451705
Energy: 0.9413864831357438
Energy: 0.9004731623044916
Energy: 0.900721932929511
Energy: 0.9141238342168294
Energy: 0.9198251174761701
Energy: 0.9019845191413589
Energy: 0.9310680845695902
Energy: 0.9811043979029163
Energy: 0.980636786976311
Energy: 0.9045994463510517
Energy: 0.9817235657652111
Energy: 0.954150657094479
Energy: 1.1544128878874593
Energy: 0.9893137499674631
Energy: 0.9897661614211343
Energy: 0.9001156561618647
Energy: 0.9958445940176163
Energy: 0.8814713583290996
Energy: 1.8139116389159398
Energy: 0.9882549585754903
Energy: 0.9986056797623817
Energy: 1.047507740681385
Energy: 0.9883560636384559
Energy: 1.1160423140674263
Energy: 1.1946483761363258
Energy: 0.9461255567963256
Energy: 0.9272334251494635
Energy: 0.8999238217258978
Energy: 0.9469687034701123
Energy: 0.881605500654386
Energy: 0.9589742114696622
Energy: 0.9996948707749599
Energy: 1.0002456755927212
Energy: 0.9591545142489947
Energy: 1.000775162762601
Energy: 0.9857976441836664
Energy: 0.9559750323755958
Energy: 0.9189417783959613
Energy: 0.9270298505005543
Energy: 0.9576421338382908
Energy: 0.9421361550997244
Energy: 0.9548072532722465
Energy: 0.9660967657734119
Energy: 0.889498195163224
Energy: 0.906009166171846
Energy: 0.965942503529119
Energy: 0.8846974929086631
Energy: 0.9665683402098362
Energy: 1.1244128742231714
Energy: 0.9313669047033603
Energy: 0.9455388013518977
Energy: 0.9676497845350819
Energy: 0.9110775018256434
Energy: 0.9458346650824087
Energy: 1.0333385293757762
Energy: 0.9407237767289314
Energy: 0.9334115945355398
Energy: 0.9550629264129884
Energy: 0.9622715303224321
Energy: 0.9468127184581777
Energy: 1.036630539586964
Energy: 0.9695000509922745
Energy: 0.9750311151649164
Energy: 0.957868303967016
Energy: 0.967397116396438
Energy: 0.9115134831305776
Energy: 1.0341589686902772
Energy: 0.9569799866292084
Energy: 0.9665245350805481
Energy: 0.9474680161896706
Energy: 0.9562643352600617
Energy: 0.9314209082636286
Energy: 1.2376627322448348
Energy: 1.0130501464963744
Energy: 0.9873141299411987
Energy: 0.8959483346647454
Energy: 0.9673605998946756
Energy: 0.8997621115947332
Energy: 1.233799193569511
Energy: 0.966316261847344
Energy: 0.9667714201053536
Energy: 0.8960399564765856
Energy: 0.965688874192834
Energy: 0.8861447630921088
Energy: 1.033958766163721
Energy: 0.9563295951817454
Energy: 0.9560830411950372
Energy: 0.9406043403673648
Energy: 0.959385172272931
Energy: 0.9547083868798525
Energy: 1.3528225637187643
Energy: 0.956804129415075
Energy: 1.0545948530574736
Energy: 1.0120699902032042
Energy: 0.9561862372227937
Energy: 0.988977430787895
Energy: 1.0342880957109404
Energy: 0.8941208808626432
Energy: 0.8952989565040667
Energy: 0.9494753131613106
Energy: 0.901722312116887
Energy: 0.9502738610868572
Energy: 1.0507480493187227
Energy: 0.99648179091627
Energy: 0.993492827997091
Energy: 1.0502226781883832
Energy: 1.0051891251388425
Energy: 0.9914492995870272
Energy: 0.9927557679203896
Energy: 0.8917220855786429
Energy: 0.8913635453997497
Energy: 0.9939578086080123
Energy: 0.9044620508418594
Energy: 0.9883236659871705
Energy: 0.9863609466611992
Energy: 0.9009755110499195
Energy: 0.9644229991238498
Energy: 0.9874156204957073
Energy: 0.9004840664345733
Energy: 0.9804560550812829
Energy: 1.05455029028664
Energy: 0.9515264638553574
Energy: 0.9075317970307637
Energy: 1.0207767485917358
Energy: 0.948410508114364
Energy: 0.9003310044823387
Energy: 0.9311610177703961
Energy: 0.9004960639146519
Energy: 0.8985054079045345
Energy: 0.9029805391442939
Energy: 0.9022355370571998
Energy: 0.8830342845785502
Energy: 1.588447214910503
Energy: 0.9804807176753416
Energy: 0.9806330393436565
Energy: 0.9162039084522381
Energy: 0.9804514093579535
Energy: 0.9000895428617436
Energy: 1.1918431625230108
Energy: 0.988296184848366
Energy: 0.9881837714986623
Energy: 0.9209175648156285
Energy: 0.986911976806294
Energy: 0.9621245703615767
Energy: 1.0885126276744048
Energy: 0.9881281948968914
Energy: 0.988467241236382
Energy: 0.9125325910896973
Energy: 0.9882189940332121
Energy: 0.9069912814383138
Energy: 1.094396090206212
Energy: 0.9455084115161447
Energy: 0.9427654980027431
Energy: 0.9055782415248126
Energy: 0.9452739849670307
Energy: 0.8931631680176045
Energy: 1.0915677723457078
Energy: 0.9785044439540396
Energy: 0.8831013292067371
Energy: 1.0996289562156414
Energy: 0.9994809289895245
Energy: 0.8857663306259207
Energy: 0.9541629033733959
Energy: 0.9565486940566323
Energy: 0.9445082072492872
Energy: 0.9559756496724131
Energy: 0.9483130029248457
Energy: 0.9674088899845751
Energy: 0.9675138331773538
Energy: 0.947799409389857
Energy: 0.9297798355471444
Energy: 0.9676662858753702
Energy: 0.9472458907262805
Energy: 0.9665386061481023
Energy: 0.9670349586095294
Energy: 0.9963370467996452
Energy: 0.9734642469193254
Energy: 0.9670656111931577
Energy: 0.9955136724911623
Energy: 0.9909830008169688
Energy: 1.0371455532987781
Energy: 0.9486775324156144
Energy: 0.9975294073578022
Energy: 0.9672627934239687
Energy: 0.9392568737535152
Energy: 0.9482375088045116
Energy: 1.0322164836724999
Energy: 0.9730064161927484
Energy: 0.9003275785770348
Energy: 0.9818576979048499
Energy: 0.9579506644091589
Energy: 0.9874210818723507
Energy: 1.0333215757823877
Energy: 0.9553325280414808
Energy: 0.9351100878295132
Energy: 0.9549731094313485
Energy: 0.9870216962100569
Energy: 0.9264061611252362
Energy: 1.2334653974469763
Energy: 0.9669634456167678
Energy: 0.9658435508979575
Energy: 0.9067005492575682
Energy: 0.9656007727011718
Energy: 0.8643179670238302

minimum gb energy = 0.8643179670238302 eV
minimum distance =  2.33213820230347 Angstroms
sigma value = 57


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

Energy: 0.7389976199578624
Energy: 0.8188894279723021
Energy: 0.5017384599836625
Energy: 0.5029456221882388
Energy: 0.8217987487645461
Energy: 0.6849126523440408
Energy: 0.9516806069078815
Energy: 0.9038596733873515
Energy: 0.7767977403814353
Energy: 0.8657263112126581
Energy: 0.8519695841251909
Energy: 0.9425447435683277
Energy: 0.9478956191165505
Energy: 0.9229912045060946
Energy: 0.9290078657352694
Energy: 0.9604894819364246
Energy: 0.9248193799838716
Energy: 0.9485262223206806
Energy: 0.949130145444605
Energy: 0.9166345895277584
Energy: 0.9707150661279615
Energy: 0.9059705390404749
Energy: 0.9430641584071635
Energy: 0.9205126928810499
Energy: 0.9500262985652781
Energy: 0.6107600959877466
Energy: 0.6128716528122893
Energy: 0.9285034477664857
Energy: 0.49975764029123504
Energy: 0.9134261296813414
Energy: 0.887608067131496
Energy: 0.6247317604004522
Energy: 0.6779926911914621
Energy: 0.9632493059879486
Energy: 0.49968407267599485
Energy: 0.5014273342467188
Energy: 0.9359492040919655
Energy: 0.8823248451600759
Energy: 0.8780643627275035
Energy: 0.9298111503411866
Energy: 0.9039079759940856
Energy: 0.9368025479070529
Energy: 0.9131123687997003
Energy: 0.9134754446059703
Energy: 0.903417943320054
Energy: 0.9206065644156558
Energy: 0.8896539017430648
Energy: 0.9129750211605798
Energy: 0.842666486408823
Energy: 0.8742913484543747
Energy: 0.9186579930121292
Energy: 0.9404915857077469
Energy: 0.9236412389523078
Energy: 0.9357797638685078
Energy: 0.508501934413527
Energy: 0.8942465772142403
Energy: 0.5010255562596893
Energy: 0.49980398746835164
Energy: 0.9627265865505344
Energy: 0.5354021056695663
Energy: 0.49982459814055885
Energy: 0.9318996052231161
Energy: 0.9244045050269633
Energy: 0.49994005155385934
Energy: 0.8961150455735809
Energy: 0.5017504103700878
Energy: 0.8910110080051089
Energy: 0.9217251130510148
Energy: 0.9248804811425344
Energy: 0.8693558864747051
Energy: 0.8864066158597196
Energy: 0.9067250353609231
Energy: 1.556992431338576
Energy: 1.5494048221975136
Energy: 0.9213045850865232
Energy: 0.9188513052571321
Energy: 0.9163461980702868
Energy: 0.9136801244338655
Energy: 0.9723904961309319
Energy: 0.9185039325687274
Energy: 0.9186883280171466
Energy: 0.9313521991114317
Energy: 0.9199837100577534
Energy: 0.9222219798300595
Energy: 1.0025738312632702
Energy: 0.4996628657707491
Energy: 0.5003248525492718
Energy: 0.9981760269159028
Energy: 0.6266304870748945
Energy: 0.609861128939581
Energy: 0.9077037319377774
Energy: 0.8521602826304869
Energy: 0.9177195768379532
Energy: 0.8981629522171412
Energy: 0.6193279867080594
Energy: 0.9311518765254633
Energy: 0.9082106787734617
Energy: 0.9162587275832074
Energy: 0.9171871416782307
Energy: 0.960932832013918
Energy: 0.9361823301742097
Energy: 0.9043031715105015
Energy: 0.9480774072268475
Energy: 0.9659997367335837
Energy: 0.8069705930277018
Energy: 0.8070165822605125
Energy: 0.9603460220686948
Energy: 0.9083966696365022
Energy: 0.7396234713453427
Energy: 0.9052787157290955
Energy: 0.776711844955896
Energy: 0.49975328572175454
Energy: 0.7643128971966133
Energy: 0.803288408491113

minimum gb energy = 0.4996628657707491 eV
minimum distance =  2.33381985353334 Angstroms
sigma value = 11


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

Energy: 1.6630985574197836
Energy: 0.9813907999919926
Energy: 1.0373207543438985
Energy: 1.049152651087937
Energy: 0.9815378231030647
Energy: 0.9746638772287292
Energy: 0.8115062127215703
Energy: 0.8582166415102795
Energy: 0.7998747931642329
Energy: 0.8128483809362551
Energy: 0.8159682865644429
Energy: 0.8160787991494849
Energy: 0.8121847583437077
Energy: 0.8248390593272739
Energy: 0.8152488648846958
Energy: 0.8168416806447899
Energy: 0.8223181813404581
Energy: 0.8029940129968558
Energy: 0.8115966293351642
Energy: 0.8361598877730511
Energy: 0.845901055415663
Energy: 0.8132325204782774
Energy: 0.818960389922726
Energy: 0.8278083777003764
Energy: 0.8223712231381165
Energy: 0.8991353863034786
Energy: 0.8625532912503278
Energy: 0.8126721370215056
Energy: 0.9541407940159429
Energy: 0.8652036147074973
Energy: 1.0781456860548677
Energy: 0.8663929938517814
Energy: 0.9220162668543979
Energy: 0.8127407891817744
Energy: 0.9365824760236469
Energy: 0.8576929829110298
Energy: 0.8766780055088638
Energy: 0.8283504500350862
Energy: 0.8220299216169329
Energy: 0.8113574657678285
Energy: 0.8098402197915266
Energy: 0.8407424963444918
Energy: 0.840713242428064
Energy: 0.8550724621013814
Energy: 0.8566623124428862
Energy: 0.8411717022946625
Energy: 0.854057645392031
Energy: 0.85313033197806
Energy: 1.0741896899564367
Energy: 0.8616512151801435
Energy: 0.8262765644559261
Energy: 0.8470829072942542
Energy: 0.8586180417473512
Energy: 0.8077459049136748
Energy: 1.3829472393313536
Energy: 0.8591965691475042
Energy: 0.8601188661911193
Energy: 0.9270402251098425
Energy: 0.8598330810157165
Energy: 0.9530771681553004
Energy: 1.3192949672023113
Energy: 0.8851591395753663
Energy: 0.8661827392371129
Energy: 0.9535431707496126
Energy: 0.8597357900596442
Energy: 0.859283271878581
Energy: 1.1398877789382804
Energy: 0.7827546729933371
Energy: 0.8096097313760064
Energy: 1.109406267408326
Energy: 0.7790729166431956
Energy: 0.8258667909596585
Energy: 0.9647718931767034
Energy: 0.8394587466550842
Energy: 0.8261428937238592
Energy: 0.9661644639086111
Energy: 0.7806568589184095
Energy: 0.902833448902422
Energy: 0.95688295736885
Energy: 0.9045710241597618
Energy: 0.9074395618032578
Energy: 0.9584197508402464
Energy: 0.8425399952506819
Energy: 0.8973350824233957
Energy: 0.9525271250012721
Energy: 0.9229360844473572
Energy: 0.9206905818638926
Energy: 0.9526855704195362
Energy: 0.9294226196566486
Energy: 0.9541802940507617
Energy: 1.323524553503743
Energy: 0.8310703604996036
Energy: 0.9072180153295868
Energy: 0.9712624302607683
Energy: 0.9563303239106029
Energy: 0.9075830699663641
Energy: 1.1960645551780158
Energy: 0.9201674040895783
Energy: 0.9347656610596128
Energy: 0.9355826857677659
Energy: 1.212664246250235
Energy: 0.9363383481571973
Energy: 1.3459343871532683
Energy: 0.9680467472947265
Energy: 0.9095841033065386
Energy: 0.9361401088577177
Energy: 0.9513472566140511
Energy: 0.9132439095677461
Energy: 1.1323614959052701
Energy: 0.9113169738463731
Energy: 0.8423284479490886
Energy: 0.8569655074881842
Energy: 0.9005346311599489
Energy: 0.8610369883797622
Energy: 1.0258479766538176
Energy: 0.9226250158975461
Energy: 0.9213554916699712
Energy: 0.9578270673078061
Energy: 1.031612141808371
Energy: 1.0193278368641905
Energy: 1.3230948817533958
Energy: 0.9033940292319517
Energy: 0.8619653654040622
Energy: 0.8576454897989871
Energy: 0.9784261064460649
Energy: 0.8566128607941389
Energy: 0.8507876471903237
Energy: 0.9361164931732616
Energy: 0.9466528240519029
Energy: 0.8596067404001032
Energy: 0.8969375463365482
Energy: 0.8802578089728258
Energy: 0.8646383577043786
Energy: 0.888472279812214
Energy: 0.8708489879938188
Energy: 0.865773655939587
Energy: 0.8280784177887184
Energy: 0.826798437727066
Energy: 0.8549199181381224
Energy: 0.8553018699514131
Energy: 0.799640945087392
Energy: 0.8529636928792377
Energy: 0.8180923241074131
Energy: 0.7997777113417617
Energy: 0.8790942276726299
Energy: 0.8193218982160397
Energy: 0.8631292225362436
Energy: 0.8810395038369224
Energy: 0.8168092496985292
Energy: 0.8154590862119426
Energy: 1.2949508965231533
Energy: 0.843552264030217
Energy: 0.853915686864935
Energy: 0.9735158730513479
Energy: 0.8115911947383541
Energy: 0.8059257405673086

minimum gb energy = 0.7790729166431956 eV
minimum distance =  2.33922319736537 Angstroms
sigma value = 41


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

Energy: 1.5999689920733007
Energy: 1.0252120353849052
Energy: 0.8938392460336373
Energy: 1.0879972227869592
Energy: 1.0242211712562022
Energy: 1.0659722346648968
Energy: 0.8686578213450453
Energy: 0.8511886722980132
Energy: 0.8652260638669006
Energy: 0.8780078393195964
Energy: 0.8685290231202135
Energy: 0.8726011173043281
Energy: 0.8689067133002139
Energy: 0.8787378545505246
Energy: 0.8768338095205825
Energy: 0.8770434374358813
Energy: 0.8774980441139627
Energy: 0.8645517696036017
Energy: 0.8689940167727075
Energy: 0.8874862750633435
Energy: 0.8889260197044527
Energy: 0.8691470413012399
Energy: 0.8751683802145251
Energy: 0.8715152413151172
Energy: 0.8692635206705931
Energy: 0.9206486442839785
Energy: 0.8894951851331067
Energy: 0.8690698675101972
Energy: 0.9077990258120346
Energy: 0.8672107476425774
Energy: 1.2110880136131248
Energy: 0.9572183550490476
Energy: 0.9289671249021834
Energy: 0.8701574093543861
Energy: 0.9572561873702838
Energy: 0.9574117165848771
Energy: 0.9716476824501323
Energy: 0.8940182522373544
Energy: 0.8711976370720108
Energy: 0.867991052635007
Energy: 0.9423172577320337
Energy: 0.8635567280788712
Energy: 0.9170717428192015
Energy: 0.8926884496671514
Energy: 0.8923036320665301
Energy: 0.9230366946095497
Energy: 0.8928356116010533
Energy: 0.8426384661513601
Energy: 1.2096070980570948
Energy: 0.9259521834554104
Energy: 0.8718791696228705
Energy: 0.8934621449636363
Energy: 0.9074467163210431
Energy: 0.8920457105901243
Energy: 1.182302948257632
Energy: 0.8582088042349809
Energy: 0.8591254584899374
Energy: 0.9584297196935365
Energy: 0.8579629654027306
Energy: 0.8589410350942526
Energy: 1.1823924322121429
Energy: 0.8823907742553886
Energy: 0.8931118437495337
Energy: 0.8742610052041913
Energy: 0.8588535188048059
Energy: 0.891001339307053
Energy: 1.3133483784411248
Energy: 0.8294457782094342
Energy: 0.8436501132223714
Energy: 0.9786495518993408
Energy: 0.8145703227879757
Energy: 0.8952765644476733
Energy: 0.8583406601136856
Energy: 0.9155522045498986
Energy: 0.8962691756871707
Energy: 0.8581216644583314
Energy: 0.8160229724626717
Energy: 0.896881262685737
Energy: 0.9077760644840133
Energy: 0.8994228879773181
Energy: 0.8974156736818294
Energy: 0.9083931213702208
Energy: 0.8927291685364502
Energy: 0.8850629635902361
Energy: 0.8930226682114516
Energy: 0.8959046604748567
Energy: 0.8955118010352413
Energy: 0.8928911467419484
Energy: 0.9617360730178065
Energy: 0.8948097404048332
Energy: 0.8679116576646154
Energy: 0.8754801614993186
Energy: 0.8636865090192731
Energy: 0.942762577993944
Energy: 0.8680539176582719
Energy: 0.8695512460231684
Energy: 1.4408679057926024
Energy: 1.1114149514189617
Energy: 0.8175330916615362
Energy: 1.0735418531344447
Energy: 1.1041749746290506
Energy: 1.0612857487911365
Energy: 0.9176479142196774
Energy: 0.8804786901310151
Energy: 0.8661163812066257
Energy: 1.0212700972251727
Energy: 0.8688755326593094
Energy: 0.8450819348529947
Energy: 0.8687448056887908
Energy: 0.8800064301334374
Energy: 0.8726834264787496
Energy: 0.8686648384290037
Energy: 0.8790390148835067
Energy: 0.8637965168895162
Energy: 0.8679807781750285
Energy: 0.8523986350077446
Energy: 0.8645159824206319
Energy: 0.8760667831354362
Energy: 0.8770080464073303
Energy: 0.8733441429325941
Energy: 0.8685108877441544
Energy: 0.8747851064218398
Energy: 0.8743053788421448
Energy: 0.8685631976583122
Energy: 0.8781943625689772
Energy: 0.8656637422071096
Energy: 1.2480699588328583
Energy: 0.9583797497478578
Energy: 0.9579049653995843
Energy: 1.2453669232933102
Energy: 1.260100096588586
Energy: 0.9582189448022822
Energy: 0.9718259010603799
Energy: 0.8729403716093512
Energy: 0.8714362872585227
Energy: 0.8683735505924693
Energy: 0.9436964600283336
Energy: 0.8742169967746609
Energy: 0.9175899355053803
Energy: 0.9474316776015573
Energy: 0.9651258154284607
Energy: 0.9242805790559949
Energy: 0.9521260646333227
Energy: 0.8285937230702882
Energy: 0.9715332091557068
Energy: 0.9264657425608749
Energy: 0.8713967473497382
Energy: 0.882817274621854
Energy: 0.9076610399379521
Energy: 0.8950741102676618
Energy: 1.1814882339203576
Energy: 0.8579071298423644
Energy: 0.8918102583139051
Energy: 0.8775137986020057
Energy: 0.8576403604390084
Energy: 0.8863836651937379
Energy: 1.1818629421372833
Energy: 0.8582223854564337
Energy: 0.8583224370896444
Energy: 1.038117781306588
Energy: 1.2574231458747616
Energy: 0.8705113277335627
Energy: 1.2106521446794556
Energy: 0.8287803550341519
Energy: 0.8900168693363033
Energy: 0.8630168456365671
Energy: 0.8148363928430643
Energy: 0.9008789863883858
Energy: 0.8582659686450732
Energy: 0.9954635606030406
Energy: 0.995995606531308
Energy: 0.85861321441069
Energy: 1.0771591149340478
Energy: 0.995304979918751
Energy: 0.9077023208729756
Energy: 0.8670046705423847
Energy: 0.891081532361641
Energy: 0.9079432813072487
Energy: 0.9083119412720848
Energy: 0.8896286306154391
Energy: 0.8562879505790775
Energy: 0.8641841474869202
Energy: 0.8564352160897751
Energy: 0.8563467290914971
Energy: 0.9650104473549824
Energy: 0.8563346234809163
Energy: 0.9627340693230534
Energy: 0.8783508674506876
Energy: 0.8636098594778341
Energy: 0.948674438297755
Energy: 0.8683581747056013
Energy: 0.8729660548246704
Energy: 1.44088970139499
Energy: 0.8811840251300836
Energy: 0.8316105313993452
Energy: 1.073861195861642
Energy: 0.8701204217058707
Energy: 0.8771657428831754

minimum gb energy = 0.8145703227879757 eV
minimum distance =  2.29365170737643 Angstroms
sigma value = 33


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

Energy: 1.277517322869344
Energy: 1.0064323797185446
Energy: 0.9154354003065889
Energy: 1.2397282640701963
Energy: 1.008719366532167
Energy: 0.9535523817950402
Energy: 0.982439945213847
Energy: 0.909277847556469
Energy: 0.9060614938453079
Energy: 0.8702460372780036
Energy: 0.9212933361684467
Energy: 0.9292602615509666
Energy: 0.9842898280249327
Energy: 0.9369729458288332
Energy: 0.9432584204498318
Energy: 0.9475766870098435
Energy: 0.9103141000264605
Energy: 0.9355904105531835
Energy: 0.984942507000921
Energy: 0.9036836058419834
Energy: 0.9361441788240178
Energy: 0.9965221690397457
Energy: 0.9072243866530906
Energy: 0.9261206098181659
Energy: 0.9854692011945779
Energy: 0.8959856122784626
Energy: 0.9373328471931377
Energy: 0.997229327565056
Energy: 0.9125002175700051
Energy: 0.9494479723224777
Energy: 1.1518401098253714
Energy: 1.0552923718723974
Energy: 1.066282875284847
Energy: 1.0985276703281104
Energy: 1.0726031106579799
Energy: 1.054668660963951
Energy: 1.048766180772939
Energy: 0.9972689504352326
Energy: 0.9596702619071067
Energy: 1.0095105121600045
Energy: 1.0055056137767198
Energy: 0.9597555459141847
Energy: 1.0360890714615336
Energy: 0.9190612802864842
Energy: 0.8932234026349708
Energy: 0.8741938119829136
Energy: 0.9168008183184664
Energy: 0.8938668342795074
Energy: 1.0577500442526289
Energy: 0.9121098482516349
Energy: 0.9110285981543627
Energy: 1.0442692121172654
Energy: 0.9143219217698785
Energy: 0.911897524566286
Energy: 1.1254020193597922
Energy: 0.919606715767451
Energy: 0.9190281436608225
Energy: 0.9413500653180313
Energy: 0.9194177634226564
Energy: 0.9177760199736129
Energy: 1.1245148756937888
Energy: 0.9515939514763884
Energy: 0.9336855371379418
Energy: 0.9864807295664149
Energy: 0.9223960322657067
Energy: 0.9274362751671995
Energy: 1.1815209690001238
Energy: 0.8501777408994716
Energy: 0.8502862278860784
Energy: 1.1910572566910849
Energy: 0.8553790808816065
Energy: 0.880234843324641
Energy: 0.9862605963382002
Energy: 0.8505406410510412
Energy: 0.8878276921519876
Energy: 0.9937453793158717
Energy: 0.8596778675506245
Energy: 0.8551912438272317
Energy: 0.9887037597500802
Energy: 0.931305672049514
Energy: 0.9277947510042124
Energy: 0.9857998307472193
Energy: 0.9505396745860416
Energy: 0.9275824069955927
Energy: 0.8890394871346678
Energy: 0.9313917311418122
Energy: 0.9307244631484429
Energy: 0.9418705987066058
Energy: 0.931433487647758
Energy: 0.9301587885974288
Energy: 0.987221296587154
Energy: 0.9358474322653064
Energy: 0.9361772746480889
Energy: 0.9893737174394827
Energy: 0.9864223754056447
Energy: 0.9347892197987244
Energy: 1.3890204928452752
Energy: 0.9889205555825488
Energy: 1.068834064548339
Energy: 1.0727259160829838
Energy: 0.9894439002587817
Energy: 1.0674192842514
Energy: 1.1085563629431037
Energy: 1.0719611718184598
Energy: 0.930666134171875
Energy: 0.9674068475475991
Energy: 1.1071950512970865
Energy: 0.9325437013836964
Energy: 0.9829931680884909
Energy: 0.8806484350621747
Energy: 0.8716835269229163
Energy: 0.9858324129337409
Energy: 0.8746206211961781
Energy: 0.9573175326069612
Energy: 0.9198362686075819
Energy: 0.8805068270069258
Energy: 0.8687407752222521
Energy: 0.9198952604221063
Energy: 0.8742792629228427
Energy: 0.9627989538652497
Energy: 0.9101919899147257
Energy: 0.927001420817685
Energy: 0.9108980743147107
Energy: 0.9114356238711232
Energy: 0.9434801993305687
Energy: 0.9108765506729019
Energy: 1.113545747271227
Energy: 0.9233384528737205
Energy: 1.1101833226531035
Energy: 1.1148645856220116
Energy: 1.108780320796601
Energy: 1.1090715715960564
Energy: 0.9913326787788368
Energy: 0.9436481178873678
Energy: 0.929175924248749
Energy: 0.9261045216174375
Energy: 0.9851508080816438
Energy: 0.9152817806270257
Energy: 0.9984674208723365
Energy: 1.216714015477875
Energy: 1.0587127303471013
Energy: 1.2434836171049723
Energy: 1.2517989993027616
Energy: 1.0597306737189134
Energy: 1.0732969743054181
Energy: 0.949335788965519
Energy: 0.9306538389072727
Energy: 0.891798888612084
Energy: 0.9878082452795537
Energy: 0.9342671957654117
Energy: 0.9952936346767776
Energy: 0.9364188058645608
Energy: 0.9317964949575365
Energy: 0.9414087875054009
Energy: 0.9410621200313544
Energy: 0.9430199825551846
Energy: 0.9846564224972636
Energy: 0.9304850990624285
Energy: 0.9352811149462161
Energy: 0.9333144903931248
Energy: 0.9320443821924599
Energy: 0.9314587101216815
Energy: 0.9890510720392095
Energy: 0.9429453914806785
Energy: 0.9957484416905074
Energy: 0.9892469757053491
Energy: 0.9016285702874254
Energy: 0.9430041871804676
Energy: 1.2167539453354976
Energy: 1.0553282489874458
Energy: 1.0551455468466522
Energy: 1.182629590918296
Energy: 1.0726319407731342
Energy: 1.0545205234456263
Energy: 1.1625751638476964
Energy: 0.9394791695619222
Energy: 0.9397307218683917
Energy: 0.9853007538308327
Energy: 0.9508602715130355
Energy: 0.9598605569065479
Energy: 1.0358347396766534
Energy: 0.9504891902917683
Energy: 0.8959565569841245
Energy: 0.8744432920177242
Energy: 0.9496921543260674
Energy: 0.8954921166796997
Energy: 1.0592533655446674
Energy: 0.9251975763581926
Energy: 0.910439588880429
Energy: 0.9972169243199104
Energy: 0.9169843556684854
Energy: 0.9108145567247088
Energy: 1.1252756412932983
Energy: 0.9140972497557508
Energy: 0.9122979912043797
Energy: 0.9448756609556636
Energy: 0.9173876101755848
Energy: 0.933529522655821
Energy: 1.125293719355531
Energy: 0.9225895948346222
Energy: 0.9223353890852457
Energy: 0.992444488677289
Energy: 1.1156029609725497
Energy: 0.9298172128885335
Energy: 1.060173454653593
Energy: 0.8498774833772833
Energy: 0.8510753162763454
Energy: 0.991554020419218
Energy: 0.8538132449002817
Energy: 0.9113778217117772
Energy: 0.9956937118514475
Energy: 0.8548171385693192
Energy: 0.8649889852388949
Energy: 0.9904885646062945
Energy: 1.0634535906290516
Energy: 0.8672343035053997
Energy: 0.9862037098029101
Energy: 0.9316468382139789
Energy: 0.9286206643659142
Energy: 0.9846432316350574
Energy: 0.944488170181429
Energy: 0.9274602515930945
Energy: 0.9057793648216627
Energy: 0.9404429199330183
Energy: 0.9351717127357378
Energy: 0.9061576971499794
Energy: 0.9351759091117401
Energy: 0.9349570257973002
Energy: 0.9863749472629837
Energy: 0.9356635308270776
Energy: 0.9314711797862547
Energy: 0.9662863354578397
Energy: 0.9879939740670569
Energy: 0.9350560862095701
Energy: 1.3892692350156124
Energy: 0.9891358090277526
Energy: 0.9900816634499898
Energy: 1.0715877392128224
Energy: 0.9935986047750335
Energy: 0.8772815225364101
Energy: 1.1127658977625965
Energy: 1.051956078751686
Energy: 1.0088894716918622
Energy: 0.9708743301276859
Energy: 1.0438515730928029
Energy: 0.9356491622451686
Energy: 0.9790189755396292
Energy: 0.8730849629738601
Energy: 0.8699767095189084
Energy: 0.9936327620925255
Energy: 0.875537269683652
Energy: 0.9594882857787218
Energy: 0.9172623259811339
Energy: 0.8884303722920902
Energy: 0.869233065556847
Energy: 0.9272715291098216
Energy: 0.8742788103571797
Energy: 0.8870788815326339
Energy: 0.9044140327457977
Energy: 0.8937672443251001
Energy: 0.9185322244711273
Energy: 0.9172122947718662
Energy: 0.8910436026544093
Energy: 0.8848489080711525
Energy: 0.9379402670696249
Energy: 0.9411906182170006
Energy: 0.9517996832815088
Energy: 0.9490232922743292
Energy: 1.1154789975018455
Energy: 0.9405097789665049
Energy: 0.9842082528762599
Energy: 0.9036644882859245
Energy: 0.9043431830992589
Energy: 0.8920366395476632
Energy: 0.920534690345905
Energy: 0.9290202010546393
Energy: 1.2545324594113871
Energy: 1.1159433633632694
Energy: 0.8533304109152572
Energy: 1.2423905249137392
Energy: 1.1205674644939323
Energy: 0.8928687120628883

minimum gb energy = 0.8498774833772833 eV
minimum distance =  2.32671085629565 Angstroms
sigma value = 67


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

Energy: 1.4448366236713552
Energy: 0.9319191874554061
Energy: 0.8093537285647424
Energy: 0.8028694613102658
Energy: 0.9310636620943337
Energy: 0.8032614378612318
Energy: 0.9009365094634981
Energy: 0.7718867498392478
Energy: 0.7726215164221343
Energy: 0.9007797275597962
Energy: 0.901611409225276
Energy: 0.784518742241335
Energy: 0.914723400840521
Energy: 0.7548788107163668
Energy: 0.7927244268480327
Energy: 0.7928706973728982
Energy: 0.7546704092364773
Energy: 0.7926468112262703
Energy: 0.9158677386687921
Energy: 0.7924918522843569
Energy: 0.794044427384351
Energy: 0.9141484846724797
Energy: 0.7913989969583552
Energy: 0.7941010129901938
Energy: 0.9069781242890158
Energy: 0.7832637974061332
Energy: 0.7969400871221632
Energy: 0.9077174355681155
Energy: 0.7829833400010472
Energy: 0.7963703872552459
Energy: 0.9093053425058865
Energy: 0.7713443088737493
Energy: 0.7986861226284355
Energy: 0.9097597053865937
Energy: 0.7697826310676672
Energy: 0.9087090098074508
Energy: 1.046969376774787
Energy: 0.7823521384325105
Energy: 0.7825798921372236
Energy: 1.0470987253125907
Energy: 0.9072968702221491
Energy: 0.7821664802643944

minimum gb energy = 0.7546704092364773 eV
minimum distance =  2.36460708664996 Angstroms
sigma value = 3


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

Energy: 1.7789024384480605
Energy: 1.5360290874052727
Energy: 0.9713218994245147
Energy: 0.8752976538908218
Energy: 1.5330849924530079
Energy: 0.968897750803449
Energy: 0.8427247049037689
Energy: 0.8676540079176306
Energy: 0.8451703866629232
Energy: 0.9087053884694205
Energy: 0.9338922331790234
Energy: 0.8443107037686955
Energy: 0.8433761692388115
Energy: 0.8394768930361098
Energy: 0.8395612822838708
Energy: 0.8433168284864346
Energy: 0.8404702870907658
Energy: 0.8443905315322306
Energy: 0.8477944422451451
Energy: 0.8444545760497403
Energy: 0.8433610872188737
Energy: 0.8493011835361292
Energy: 0.84121149768621
Energy: 0.8428890700640063
Energy: 0.8595325716403519
Energy: 0.8454252407379058
Energy: 0.8450704226825689
Energy: 0.8426047810619786
Energy: 0.9227639305916608
Energy: 0.8441202372387916
Energy: 0.842576199540433
Energy: 0.8460023314527026
Energy: 0.8448983250614011
Energy: 0.8429074357497758
Energy: 0.9218241370662184
Energy: 0.8438660611469718
Energy: 0.8440896274131062
Energy: 0.9199301022746794
Energy: 0.984988169119051
Energy: 0.9193227141183834
Energy: 0.9138416864173599
Energy: 0.9224631128360035
Energy: 1.2356921254907938
Energy: 1.1219497433005774
Energy: 0.9587929499804501
Energy: 0.8436135337701671
Energy: 1.1866505287381193
Energy: 0.9252519802004363
Energy: 0.8472670748286211
Energy: 0.8692500544244302
Energy: 0.9251848977883429
Energy: 0.9227847380192218
Energy: 0.9154289140706289
Energy: 0.8619245268872772
Energy: 1.0214294761941023
Energy: 0.8438538962103773
Energy: 0.8438247014414159
Energy: 1.0213926716416093
Energy: 0.8439398702233012
Energy: 0.9095444764906316
Energy: 0.9107838316384418
Energy: 0.9776417875862946
Energy: 0.9120819122382107
Energy: 0.9120639156795244
Energy: 0.8796720959585667
Energy: 0.9153382804702214
Energy: 0.9121604096180111
Energy: 0.8459989555194628
Energy: 0.8440331059422989
Energy: 0.9118845398354274
Energy: 0.8429087805794752
Energy: 0.8449752979111358
Energy: 0.9443981017964295
Energy: 0.8434724438968152
Energy: 0.8449639652799504
Energy: 0.9685328777235382
Energy: 0.8426095714310213
Energy: 0.8462985501072536
Energy: 0.9137459525509987
Energy: 0.8508580808219077
Energy: 0.8434979938405119
Energy: 0.9327667103172304
Energy: 0.8454895033264375
Energy: 0.843131546432476
Energy: 0.9127335635881638
Energy: 0.8500589925703007
Energy: 0.8464665888554214
Energy: 0.9203325539190224
Energy: 0.8928500793732784
Energy: 0.9069927131209049
Energy: 0.919860479554604
Energy: 0.8520217917307206
Energy: 0.8427731762248303
Energy: 0.9216036981913354
Energy: 0.8457680398953321
Energy: 0.8432265264824057
Energy: 1.1967375938872438
Energy: 0.8950030227126229
Energy: 0.8954205495397858
Energy: 1.1979106371930341
Energy: 0.8953677626457162
Energy: 1.0370767435602775
Energy: 0.9054549678900211
Energy: 0.8685340600085968
Energy: 0.9082202124035083
Energy: 0.9015369212279386
Energy: 0.9200359193576283
Energy: 0.8737307314523195
Energy: 0.9452815699785853
Energy: 0.9092002449557777
Energy: 0.8440026500368376
Energy: 0.9081080360356748
Energy: 0.8427446293591851
Energy: 0.843849368255045
Energy: 0.8750371327878618
Energy: 0.8959690969277507
Energy: 0.9103602682577866
Energy: 0.844157402096404
Energy: 0.9047947402528369
Energy: 0.8437994502038826
Energy: 0.8949403451296971
Energy: 0.9215170996829284
Energy: 0.8727996729221039
Energy: 0.9079771147624569
Energy: 0.9124905386506404
Energy: 0.8713436460540424
Energy: 0.8956739776473673
Energy: 0.8672823387505033
Energy: 0.8677160505680356
Energy: 0.9082492275977758
Energy: 0.8708287211301127
Energy: 0.8672475328709388
Energy: 0.8995718320172029
Energy: 0.8695267669960739
Energy: 0.9345111668476677
Energy: 0.8991329496492418
Energy: 0.9424849461173517
Energy: 0.919225768393264
Energy: 0.8978463406308789
Energy: 0.8442029997581266
Energy: 0.8426818382904001
Energy: 0.8977824452636445
Energy: 0.8444482896549669
Energy: 0.898071721422654
Energy: 0.8505025579049187
Energy: 0.927238072872897
Energy: 0.8442689102396758
Energy: 0.8964930808452765
Energy: 0.8631207726759517
Energy: 0.8431286502015336
Energy: 0.9962447895687989
Energy: 0.9977425305078843
Energy: 1.080868913411684
Energy: 0.9073495430102047
Energy: 1.0678328185320698
Energy: 0.9134837989519203
Energy: 0.8466907292590339
Energy: 0.9979251160258945
Energy: 0.9919460089783662
Energy: 0.8777555837127742
Energy: 1.0625996539653846
Energy: 0.83861234367778
Energy: 0.8536822855726514
Energy: 0.8448315325480658
Energy: 0.8433327484573921
Energy: 0.8860076943900852
Energy: 0.8712571301907568
Energy: 0.8429072468757578
Energy: 0.8425382481485252
Energy: 0.8400085064553798
Energy: 0.8403795824845542
Energy: 0.8425907229598926
Energy: 0.8414741251912333
Energy: 0.8447768656675578
Energy: 0.8451811583930035
Energy: 0.843479921987024
Energy: 0.8462119666548952
Energy: 0.8471150538065058
Energy: 0.924843187575293
Energy: 0.843844670088844
Energy: 0.8429634011109052
Energy: 0.8489119468243989
Energy: 0.8471279197501582
Energy: 0.8431354632865561
Energy: 0.846366656541328
Energy: 0.8447686842015074
Energy: 0.8540164400676825
Energy: 0.9302157942013072
Energy: 0.9284588473110057
Energy: 0.8551224164087435
Energy: 0.9121288425842293
Energy: 0.8440802777276103
Energy: 0.9700889762722984
Energy: 1.048699734393416
Energy: 1.0504908484334863
Energy: 0.844484101905469
Energy: 1.0452349384679973
Energy: 0.8959620714460416
Energy: 0.8947603242104096
Energy: 0.8662448097032477
Energy: 0.845338122283076
Energy: 0.9125352898372732
Energy: 0.8430862245501654
Energy: 0.924708625650908
Energy: 0.8426673129077041
Energy: 0.8418395563439932
Energy: 0.8415997343975323
Energy: 0.8427269743995771
Energy: 0.8803895147446804
Energy: 0.8451048846229967
Energy: 1.03959070428648
Energy: 0.843809442760955
Energy: 0.8436035128560415
Energy: 1.0397741824922133
Energy: 0.8438573500225761
Energy: 0.945106752191146
Energy: 0.9203534948342516
Energy: 0.8520178174302373
Energy: 0.8445349291001685
Energy: 0.9214665322855965
Energy: 0.8683918064774906
Energy: 0.9229793085294267
Energy: 0.9472934720116974
Energy: 0.844605872262189
Energy: 0.8452036155045323
Energy: 0.9704236195499869
Energy: 0.8442142582609491
Energy: 0.9166338257293124
Energy: 0.9181909094054898
Energy: 0.8528864699253915
Energy: 0.8436393598163039
Energy: 0.9345314083459091
Energy: 0.8473062468329633
Energy: 0.8430881687053545
Energy: 0.9221121263731519
Energy: 0.8435521397301752
Energy: 0.8443326946476924
Energy: 0.9202506499339396
Energy: 0.8425178033626821
Energy: 0.8445536170543977
Energy: 1.0075556614480934
Energy: 0.8503639015973848
Energy: 0.8435127149271627
Energy: 0.9262440880525975
Energy: 0.8427889228624255
Energy: 0.8436927358860125
Energy: 0.9189014529046567
Energy: 0.9814095022212438
Energy: 0.9224120975245866
Energy: 0.9190365541204458
Energy: 0.890686532702228
Energy: 0.875510271177813
Energy: 1.0855851438010433
Energy: 0.8952985207208322
Energy: 0.8953692983233763
Energy: 1.0866034054626037
Energy: 0.8434742939540832
Energy: 0.9881049655761392
Energy: 0.9004220520773351
Energy: 0.8501779331582096
Energy: 0.8432821690798268
Energy: 0.9186072078247887
Energy: 0.9984986011078839
Energy: 0.844095078627666
Energy: 1.5239585101752267
Energy: 0.8989277230052038
Energy: 0.9996985966873334
Energy: 0.8868068624120748
Energy: 0.8984778836724309
Energy: 0.9995594937326913
Energy: 0.8995803495623941
Energy: 0.9117641705559901
Energy: 0.9182054978407018
Energy: 0.9175286344206686
Energy: 0.8995481721810699
Energy: 0.9097698455533885
Energy: 0.8988277755668396
Energy: 0.8671518270673935
Energy: 0.8665695573714545
Energy: 0.9087598205108363
Energy: 0.9083146009664657
Energy: 0.8672092739687917
Energy: 0.8952415795818791
Energy: 0.8723165327476344
Energy: 0.8728950321162444
Energy: 0.8953104841320506
Energy: 0.9249149112994457
Energy: 0.8725156763167511
Energy: 0.9005154799364051
Energy: 0.8432202253617277
Energy: 0.8440499228145082
Energy: 0.9021992290346874
Energy: 0.8434613507273887
Energy: 0.9141260475593795
Energy: 0.8427281746405618
Energy: 0.8434740856022956
Energy: 0.8432154764857688
Energy: 0.8425175266501583
Energy: 0.8443652845872857
Energy: 0.8442735113973753
Energy: 0.8396305209929694
Energy: 0.8599768952632609
Energy: 0.8701065337676501
Energy: 0.9592264153160474
Energy: 0.911421819994611
Energy: 0.9084455336385582

minimum gb energy = 0.83861234367778 eV
minimum distance =  2.30720229645026 Angstroms
sigma value = 81


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

Energy: 1.9219707042885221
Energy: 1.0690011413027467
Energy: 0.9021670807936794
Energy: 0.9014910656779501
Energy: 1.0687133374122177
Energy: 0.9021122687007759
Energy: 0.8683343356505207
Energy: 0.9324723786545459
Energy: 0.9189916712590289
Energy: 0.877060367318104
Energy: 0.8417283321151017
Energy: 0.9091295997894032
Energy: 0.8684397641104975
Energy: 0.9139094060017933
Energy: 0.827260756835442
Energy: 0.8686776385606129
Energy: 0.8925605446038662
Energy: 0.869996907457152
Energy: 0.8689976087709834
Energy: 0.8561341170550905
Energy: 0.8976917250211456
Energy: 0.8691366742985704
Energy: 0.8925242571165684
Energy: 0.9542015931959129
Energy: 0.8696283297509964
Energy: 0.8853324505317874
Energy: 0.8852227323192043
Energy: 0.8694824343579799
Energy: 0.834110127937641
Energy: 0.8856672863671923
Energy: 0.8689534248008521
Energy: 0.83390163953419
Energy: 0.8855166691548588
Energy: 0.8891386524001332
Energy: 0.8682433918400287
Energy: 0.8867714769271673
Energy: 0.8680885266898707
Energy: 0.8989232177453612
Energy: 0.9249050341491905
Energy: 0.8816154411731502
Energy: 0.899925288340926
Energy: 0.8674276678724878
Energy: 0.8909901254761567
Energy: 1.1801053479916501
Energy: 1.1192441049350808
Energy: 0.9033053846839345
Energy: 1.1094346830428587
Energy: 0.8985677363340201
Energy: 0.8632831890182241
Energy: 0.8387073265519526
Energy: 0.8636719098788279
Energy: 0.9003539185432301
Energy: 0.9043671328142859
Energy: 0.901199691440561
Energy: 0.8623822475387884
Energy: 0.7946386953730409
Energy: 0.7943011964444374
Energy: 0.8624951114316307
Energy: 0.7946276880150623
Energy: 0.7942778701361287
Energy: 0.926111174211125
Energy: 0.7936921170755319
Energy: 0.794057930454696
Energy: 0.9264153412670756
Energy: 0.8003656139809924
Energy: 0.8337432151033092
Energy: 0.8806819459803433
Energy: 0.8324411436383402
Energy: 0.8329972442525037
Energy: 0.8892246627821054
Energy: 0.8782396210112443
Energy: 0.9049858349198642
Energy: 0.8791618160698871
Energy: 0.9098104009473015
Energy: 0.9187790281587634
Energy: 0.827104792104046
Energy: 0.9099001252837815
Energy: 0.855944627587017
Energy: 0.9243140795952727
Energy: 0.8349786888995148
Energy: 0.9057742421508024
Energy: 0.918767565741708
Energy: 0.9040249876015823
Energy: 0.9183110620124599
Energy: 0.8838656795042998
Energy: 0.9234826979710277
Energy: 0.9049625816759476
Energy: 0.9167652581015446
Energy: 0.9206880129910313
Energy: 0.9172835265212134
Energy: 0.9168326274367476
Energy: 0.9192158243928279
Energy: 0.9165774115489538
Energy: 0.9178904771753379
Energy: 0.8557849563964248
Energy: 0.9367477151795056
Energy: 1.14430022979826
Energy: 0.826996931804589
Energy: 0.9068426134080652
Energy: 1.1441590332707674
Energy: 0.826884103090278
Energy: 0.8800762972987017
Energy: 0.8533079201662236
Energy: 0.8524361983669865
Energy: 0.9441829404810711
Energy: 0.8711080053146962
Energy: 0.9000425084662612
Energy: 0.8896903940465183
Energy: 0.7947352674998659
Energy: 0.9201125251253273
Energy: 0.7941485359974851
Energy: 0.7970865978140319
Energy: 0.8729973291737679
Energy: 0.7939094614382247
Energy: 0.7957652130460637
Energy: 0.9196144290566173
Energy: 0.7943867534934291
Energy: 0.8880814601310395
Energy: 0.8794704950221749
Energy: 0.7943257319605888
Energy: 0.8533306909373225
Energy: 0.8525977587755549
Energy: 0.9171873655673051
Energy: 0.8712706293491652
Energy: 0.898986177754481
Energy: 0.854743086971437
Energy: 0.9086989665298719
Energy: 0.8566193069181653
Energy: 0.9594225943841488
Energy: 0.9093379542922135
Energy: 0.8568207734221921
Energy: 0.9384828669551577
Energy: 0.9085889098841354
Energy: 0.9899905415928144
Energy: 0.9243639401426338
Energy: 0.9100006039813889
Energy: 0.8973398291645734
Energy: 0.9222289526542364
Energy: 0.8857861867539283
Energy: 0.9182597489748039
Energy: 0.9269112195168372
Energy: 0.9234770033939751
Energy: 0.9197171922791706
Energy: 0.9344051512593661
Energy: 0.9177787054841879
Energy: 0.9110979501868142
Energy: 0.9122140533185462
Energy: 0.890180951843705
Energy: 0.9089837999269561
Energy: 0.9195561491698148
Energy: 0.9069047061724183
Energy: 1.151018654470878
Energy: 0.834174436045234
Energy: 0.9002197235596534
Energy: 1.174286700054047
Energy: 0.8628484501694708
Energy: 0.907759733390588
Energy: 0.8379383576707049
Energy: 0.8354664733183224
Energy: 0.9095837869041643
Energy: 0.8686563310148662
Energy: 0.8631600600993893
Energy: 0.9168934901659042
Energy: 0.7940408867486961
Energy: 0.9004302924786799
Energy: 0.9167250288028389
Energy: 0.8013406644682717
Energy: 0.8335125267339558
Energy: 0.8689769723933378
Energy: 0.7948405390787975
Energy: 0.7947723331361414
Energy: 0.8685054051224989
Energy: 0.7949313171257567
Energy: 0.7951512987692774
Energy: 0.8675876439491788
Energy: 0.835168579941827
Energy: 0.9210646886491242
Energy: 0.8988846452000739
Energy: 0.8669973540689963
Energy: 0.9011494748631199
Energy: 0.8760219169197768
Energy: 0.91615612731228
Energy: 0.9781260096988157
Energy: 0.8920554536722028
Energy: 0.9774473312992595
Energy: 0.853884966705102
Energy: 0.8698346378395204
Energy: 0.8906392601703205
Energy: 0.831945692351101
Energy: 0.8987127912897176
Energy: 0.8900821460058211
Energy: 0.8345588058012776
Energy: 0.8776109285570256
Energy: 0.9126526624811885
Energy: 0.9128271414742459
Energy: 0.9217957393503138
Energy: 0.8976367803497266
Energy: 0.9043774414805703
Energy: 0.8794416387629364
Energy: 0.9313815407925532
Energy: 0.9215122322282866
Energy: 0.8777039900186702
Energy: 0.9222522533156695
Energy: 0.9215183739760195
Energy: 0.8771027279443008
Energy: 0.92018693186924
Energy: 0.9023333638220702
Energy: 0.8773227136063444
Energy: 0.9006481074337931
Energy: 0.9563920593188857
Energy: 1.121872492190182
Energy: 0.8285037913151387
Energy: 0.8296779532494885
Energy: 1.1220307410972992
Energy: 0.9027881904448996
Energy: 1.0088221863896851
Energy: 0.8694446405813588
Energy: 0.9306574724493925
Energy: 0.9188253371117902
Energy: 0.8767865869231531
Energy: 0.840595200856097
Energy: 0.9091002091931434
Energy: 0.8249479739817618
Energy: 0.9766867196193298
Energy: 0.9035503372890805
Energy: 0.877533824089166
Energy: 1.0292838191690943
Energy: 0.9026607158672112

minimum gb energy = 0.7936921170755319 eV
minimum distance =  2.3163822141424 Angstroms
sigma value = 43


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

Energy: 0.8598982392108473
Energy: 1.2258588033978155
Energy: 1.0523623290905297
Energy: 0.9065983595822933
Energy: 1.2270541794204648
Energy: 0.9077287706426186
Energy: 0.8652230360299384
Energy: 0.9236089449243933
Energy: 0.854668228588063
Energy: 0.9548893034735498
Energy: 0.874111094552483
Energy: 0.8895435007128054
Energy: 0.8680010481392291
Energy: 0.8446035803278723
Energy: 0.8446593762945527
Energy: 0.8682844143291458
Energy: 0.8440600353240871
Energy: 0.8651261697537738
Energy: 0.8646306986461522
Energy: 0.844017108867027
Energy: 0.8640631861490907
Energy: 0.8659419052453771
Energy: 0.9400065224489657
Energy: 0.863884319074262
Energy: 0.864578472952593
Energy: 0.8888004403167478
Energy: 0.9153851585751535
Energy: 0.8650253831971022
Energy: 0.8931649993778931
Energy: 0.9665807616935013
Energy: 0.8658329012160592
Energy: 0.9678415158181052
Energy: 0.9665762779994035
Energy: 0.9131905401253624
Energy: 0.8887045714400346
Energy: 0.9800560845292687
Energy: 0.8647384374046174
Energy: 0.8637670467373831
Energy: 0.8639096423799215
Energy: 0.8650456298384024
Energy: 0.8637147624459499
Energy: 0.8638240502162512
Energy: 0.9606847230103991
Energy: 0.8715091444600572
Energy: 0.8718609000616887
Energy: 0.9560799427643132
Energy: 0.8701441245990331
Energy: 0.8982930769572632
Energy: 0.8741706351307187
Energy: 0.8640774703230975
Energy: 0.8646901524003612
Energy: 0.8740942979172432
Energy: 0.8641219598954121
Energy: 0.8642844116550129
Energy: 1.2993703126894247
Energy: 0.8628961284142636
Energy: 0.9608345691208289
Energy: 1.3003244957860196
Energy: 0.8637287317956576
Energy: 0.9605240805798323
Energy: 0.8545750166415275
Energy: 0.9450064812812105
Energy: 0.9545968453475292
Energy: 0.8547323874577655
Energy: 0.8728902133175599
Energy: 0.8541585972631544
Energy: 0.9026888773773325
Energy: 0.8651236805197033
Energy: 0.8642582817085769
Energy: 0.8486655496663826
Energy: 0.9962156385579756
Energy: 0.8643087283794476
Energy: 0.9014784842207562
Energy: 0.865676684429926
Energy: 0.8817897266163857
Energy: 0.9397924218284057
Energy: 0.9633921564511633
Energy: 0.8818215122223269
Energy: 0.8546249176658828
Energy: 0.8647106944658115
Energy: 0.8909020379827642
Energy: 0.8546293332983314
Energy: 0.9541951915478337
Energy: 0.8540019676483934
Energy: 0.8554547685329947
Energy: 0.9308437852924503
Energy: 0.8557837984993132
Energy: 0.8554175456478976
Energy: 0.8436980332740182
Energy: 0.8560337704195043
Energy: 0.8564383991460247
Energy: 0.9214693395165289
Energy: 0.9170854517814823
Energy: 0.8545714499788213
Energy: 0.9306761343517981
Energy: 0.8546566874397722
Energy: 0.8565920874307218
Energy: 0.8563359784627532
Energy: 0.8578007507265265
Energy: 0.8566728610569223
Energy: 1.006526016772095
Energy: 0.8570143156262208
Energy: 0.8562891088531878
Energy: 0.8895710592237376
Energy: 0.8552163058295168
Energy: 0.856106806135872
Energy: 0.9640263909313472
Energy: 0.8547827425487974
Energy: 0.8731354489185911
Energy: 0.8562861274395513
Energy: 0.8558499358559766
Energy: 0.8740160803820709
Energy: 0.9617534924919171
Energy: 0.8630103218661713
Energy: 0.8728150002041942
Energy: 0.8963205348261777
Energy: 0.8556412681932231
Energy: 0.8741370246891124
Energy: 0.8560310461192683
Energy: 0.8634103666155234
Energy: 0.8549603720943038
Energy: 0.8547525069119134
Energy: 0.8898343206370815
Energy: 0.9056556458319158
Energy: 0.9006264181840989
Energy: 0.8546340707659148
Energy: 1.127592924563701
Energy: 0.8822933460174256
Energy: 0.8822678218128859
Energy: 1.1277480337207306
Energy: 0.8442495601911316
Energy: 0.9322312371737246
Energy: 0.9618079536836193
Energy: 0.8548587969530869
Energy: 0.9448137850345086
Energy: 0.9618720639710097
Energy: 0.8547606105838114
Energy: 1.0160272932321397
Energy: 1.014585146223206
Energy: 0.9658608292998861
Energy: 0.8569134396225399
Energy: 0.8466905255746661
Energy: 0.8552463168369976
Energy: 0.8556158239270957
Energy: 0.9526385846338546
Energy: 0.8548839096026432
Energy: 0.8548287347664231
Energy: 0.9532248306502458
Energy: 0.8554193393439787
Energy: 0.855427804547915
Energy: 0.9554699541787903
Energy: 0.8554776792193977
Energy: 0.9176798695737938
Energy: 0.8891595916230502
Energy: 0.85533038551518
Energy: 0.8598149380441462
Energy: 0.9560721897884751
Energy: 0.8545722120628206
Energy: 0.8540925073960152
Energy: 0.9562004393663786
Energy: 0.916380958031889
Energy: 0.9160413966061101
Energy: 0.9553387534566984
Energy: 0.9928901983816947
Energy: 0.8900729331909258
Energy: 0.9553586324378627
Energy: 0.8747843993518454
Energy: 0.8639307474577933
Energy: 1.020697169377233
Energy: 0.8645083963182041
Energy: 0.8644388038590319
Energy: 0.9819760192353234
Energy: 0.9550086420622662
Energy: 0.8645137297982785
Energy: 0.8653635070024108
Energy: 0.9239310269201277
Energy: 0.9767101247008875
Energy: 0.9287611438607517
Energy: 0.873661476215535
Energy: 0.8646600947849382
Energy: 0.8436241785166922
Energy: 1.1699745109767117
Energy: 1.0613716993751547
Energy: 0.8812456243815323
Energy: 1.109473415209643
Energy: 1.0391443444996287

minimum gb energy = 0.8436241785166922 eV
minimum distance =  2.28859641280655 Angstroms
sigma value = 57


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

Energy: 1.3898839950315256
Energy: 1.1158886258074057
Energy: 0.94621666358786
Energy: 0.8431422845897673
Energy: 1.3766374819530387
Energy: 0.9457856809745276
Energy: 0.8932648512410023
Energy: 0.9016993495862723
Energy: 0.8993067672753832
Energy: 0.9117888093090556
Energy: 0.9089680812357479
Energy: 0.8940841754249638
Energy: 0.9582780791018651
Energy: 0.8670460796334218
Energy: 0.8443541197432033
Energy: 0.9585809254364265
Energy: 0.8440075639659741
Energy: 0.8460072019896854
Energy: 0.8940782293923863
Energy: 0.8779540336778461
Energy: 0.844770121303306
Energy: 0.8949748759469733
Energy: 0.875444299807771
Energy: 0.8938002836772115
Energy: 0.899842062810984
Energy: 0.9261859558950648
Energy: 0.8995440505560168
Energy: 0.9004266556793034
Energy: 0.926379371256862
Energy: 0.8915689739709494
Energy: 0.8426257955405532
Energy: 0.8919402614898564
Energy: 0.8748116823752379
Energy: 0.9292281293271591
Energy: 0.9314018452403255
Energy: 0.877347549630647
Energy: 0.9106668238107855
Energy: 0.893365678171572
Energy: 0.8932784407951448
Energy: 0.911189182197555
Energy: 0.8935491399923781
Energy: 0.8930431659743563
Energy: 0.8910312264707294
Energy: 0.8908794197979503
Energy: 0.893359513843533
Energy: 0.9243318172627529
Energy: 0.8932585058137551
Energy: 0.9139077009955113
Energy: 0.9103813669926761
Energy: 0.8982558352267306
Energy: 0.8989214453885497
Energy: 0.9108737372350422
Energy: 0.8997670916226126
Energy: 0.8988873132973018
Energy: 0.9145362158414682
Energy: 0.8877849795974326
Energy: 0.8934177909504
Energy: 0.9146790855386996
Energy: 0.8887895858611298
Energy: 0.8916123867512007
Energy: 0.9626459250445267
Energy: 0.8907885321217336
Energy: 0.8980013781233319
Energy: 0.9111380847979635
Energy: 0.9077473011525595
Energy: 0.8921875903445026
Energy: 0.8383660493734169
Energy: 0.8991620292669825
Energy: 0.8922255931344022
Energy: 0.8388163266158513
Energy: 0.9627086520763819
Energy: 0.9364745840692229
Energy: 0.8442179606266422
Energy: 0.8939593512556412
Energy: 0.9365524774040639
Energy: 0.8781625231035819
Energy: 0.9092107226878168
Energy: 0.9365054991863649
Energy: 0.8966062016025153
Energy: 0.8998583932212539
Energy: 0.8927616177108763
Energy: 0.9086975392745388
Energy: 0.9112027376985217
Energy: 0.8975628846585497
Energy: 0.9066514101942732
Energy: 0.8407128672893711
Energy: 0.8502610467238871
Energy: 0.9051682613514854
Energy: 0.845580528422437
Energy: 0.8567145065607344
Energy: 0.8952623715897332
Energy: 0.8933704339884533
Energy: 0.8925881013093067
Energy: 0.8944752249885626
Energy: 0.8995926169417943
Energy: 0.9242278231574212
Energy: 0.9000514491290562
Energy: 0.9284684715579681
Energy: 0.8757090770150238
Energy: 0.9003667719287674
Energy: 0.928414805590196
Energy: 0.8922471302390427
Energy: 0.9006778056848488
Energy: 0.9259010554177596
Energy: 0.8730766665053886
Energy: 0.9300824928852361
Energy: 0.8993349415458034
Energy: 0.8920855179439304
Energy: 0.911157708683092
Energy: 0.8938653490384195
Energy: 0.8936789713244515
Energy: 0.9281808949112804
Energy: 0.8944286849545587
Energy: 0.9135264862775548
Energy: 0.9114319893991112
Energy: 0.893683401600254
Energy: 0.8932382547449228
Energy: 0.912162681663165
Energy: 0.9388673928381198
Energy: 0.9154548438882846
Energy: 0.906929693768288
Energy: 0.9027078256296815
Energy: 0.9027875604299973
Energy: 0.9079745180232537
Energy: 0.8986090640091725
Energy: 0.9283477403618027
Energy: 1.1791462238606516
Energy: 0.8930961853473992
Energy: 0.8939269863092904
Energy: 1.1721146687421078
Energy: 0.8933304355499981
Energy: 0.8936421963570211
Energy: 0.8962415040676006
Energy: 0.8946960619588734
Energy: 0.9005458102754357
Energy: 0.9103114374855794
Energy: 0.9113400257825232
Energy: 0.8980408522403716
Energy: 0.8447813191720551
Energy: 0.9407606398863321
Energy: 0.9366576120833575
Energy: 0.8780565328569501
Energy: 0.9613379285000708
Energy: 0.9365315030948581

minimum gb energy = 0.8383660493734169 eV
minimum distance =  2.32084994031656 Angstroms
sigma value = 17


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

Energy: 1.6648193610222268
Energy: 1.0385449094495134
Energy: 1.1487264361834424
Energy: 0.9243497415591507
Energy: 1.077372078348013
Energy: 0.9353386100366949
Energy: 1.1264255616823518
Energy: 0.9946937103878292
Energy: 0.9932949036179023
Energy: 1.008251507861453
Energy: 0.9961544410382945
Energy: 0.9094381879961224
Energy: 1.2447333114391423
Energy: 0.8750380969654534
Energy: 0.873306992853869
Energy: 1.1071339040337969
Energy: 0.8753018260313803
Energy: 0.873129058741789
Energy: 1.0010325117954273
Energy: 0.8765799653039772
Energy: 0.877511682301388
Energy: 1.0027930994564853
Energy: 0.8349847717339909
Energy: 0.9946262474749116
Energy: 0.8712546243216336
Energy: 0.9083663984336992
Energy: 0.9082244097400014
Energy: 0.871673690269024
Energy: 0.9109839730142415
Energy: 0.9088222129372184
Energy: 0.8769781350278223
Energy: 0.9102608658487511
Energy: 0.9059508482273709
Energy: 0.9256985467089411
Energy: 0.8581898264262808
Energy: 0.9253377450237577
Energy: 0.8753145411135252
Energy: 0.8572484750372471
Energy: 0.8571955670540595
Energy: 0.9469335558992257
Energy: 0.8571997789333777
Energy: 0.9033955301074882
Energy: 0.8830123163649346
Energy: 0.9322414772859896
Energy: 0.9323452205019753
Energy: 0.9319536178197207
Energy: 0.9323781190073002
Energy: 0.9519850585898918
Energy: 0.8614037336878427
Energy: 0.9370080006918533
Energy: 0.9346115960333585
Energy: 0.8572001930949833
Energy: 0.910208369836822
Energy: 0.8575765608031941
Energy: 0.8574518835765741
Energy: 0.9064157418557318
Energy: 0.9079014847728375
Energy: 0.8575334870936197
Energy: 0.9071442368740582
Energy: 0.9064421803878053
Energy: 1.0373303052345009
Energy: 0.9104080023617857
Energy: 0.9091048356360278
Energy: 0.9104660286500965
Energy: 0.8710959377071243
Energy: 0.9090650190363461
Energy: 0.8600800283601806
Energy: 0.9940529975868224
Energy: 0.9943281698320958
Energy: 0.8719754337233911
Energy: 0.9941255147508911
Energy: 0.9941759036986397
Energy: 0.8704453003115987
Energy: 1.1051030653414595
Energy: 0.9935806862432428
Energy: 0.9056628727682852
Energy: 1.1066742484824985
Energy: 0.9934935643667362
Energy: 1.0090865871605874
Energy: 0.9949518848947718
Energy: 0.993766320144506
Energy: 1.0099082934565042
Energy: 0.9948388831421312
Energy: 0.9128939321156483
Energy: 1.0776191956558303
Energy: 0.9950212181012188
Energy: 0.9949158640161779
Energy: 1.0786088111771188
Energy: 0.9947122751963857
Energy: 0.9942301787292929
Energy: 1.1292516648535156
Energy: 1.0097517515670047
Energy: 0.9105955743985906
Energy: 1.007250337227554
Energy: 1.0088941921235315
Energy: 0.9942882478248971
Energy: 0.8354008218546357
Energy: 0.9957419913125221
Energy: 1.107958861593021
Energy: 0.8375292217687502
Energy: 1.106742738021919
Energy: 1.1079077755587345

minimum gb energy = 0.8349847717339909 eV
minimum distance =  2.32573941034198 Angstroms
sigma value = 17


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

Energy: 1.851169385647967
Energy: 1.1808453933295555
Energy: 0.9029951403877202
Energy: 0.8577703098978643
Energy: 1.2703826286112616
Energy: 0.9410140859540104
Energy: 1.085901450109592
Energy: 1.0391972416696778
Energy: 1.0315008096173683
Energy: 0.9640529919782741
Energy: 1.0388698502781777
Energy: 0.9043340680926989
Energy: 1.2303700855175204
Energy: 0.9040209455891179
Energy: 0.8971815062828147
Energy: 0.9874838336789599
Energy: 0.9042117118737867
Energy: 0.8971156907701303
Energy: 1.0335882401745846
Energy: 0.8968230747488566
Energy: 0.9108593638569843
Energy: 1.0289258305743643
Energy: 0.8381435143213024
Energy: 0.9127974597772184
Energy: 0.9118089991045757
Energy: 0.9379400142717097
Energy: 0.9394439924478031
Energy: 0.9120823232971066
Energy: 0.931623254263358
Energy: 0.9374416188273005
Energy: 0.8564979296457492
Energy: 0.884299486322418
Energy: 0.903915094552136
Energy: 0.9046037587374701
Energy: 0.8842492733961673
Energy: 0.9041100818354426
Energy: 0.8493084309434478
Energy: 0.8944330358167952
Energy: 0.8842251887334373
Energy: 0.8823454997339951
Energy: 0.8897393681583443
Energy: 0.9390666896208217
Energy: 0.9879291409494144
Energy: 0.883364230586092
Energy: 0.9033518854481105
Energy: 0.9379263346247058
Energy: 0.8834771385971605
Energy: 0.9109907665803012
Energy: 0.8355220199433113
Energy: 0.8876500761094501
Energy: 0.8800677630551194
Energy: 0.8355380120023523
Energy: 0.9164043692376457
Energy: 0.8307017450721428
Energy: 0.8304807792509875
Energy: 0.9166783489253126
Energy: 0.9163244994536864
Energy: 0.8319369376849821
Energy: 0.9165669439212099
Energy: 0.9163918586616826
Energy: 0.86946044464874
Energy: 0.830373189411246
Energy: 0.9238843575174879
Energy: 0.9144828322266482
Energy: 0.830040882741559
Energy: 0.9231224493529187
Energy: 0.8534130086217298
Energy: 0.8438346056520798
Energy: 0.8308530852330809
Energy: 0.8545589195817446
Energy: 0.8378703981926073
Energy: 0.8947246725623825
Energy: 0.8750289685675307
Energy: 0.940848879699028
Energy: 0.9314531508853193
Energy: 0.9110581633029289
Energy: 0.9420112250511897
Energy: 0.9327587245092401
Energy: 0.8802069981816345
Energy: 0.9291399121957967
Energy: 0.9295873130931013
Energy: 0.882393746084134
Energy: 0.8971797908429168
Energy: 0.8782617549232735
Energy: 0.8784216706602074
Energy: 0.8943726368482239
Energy: 0.8982987944102582
Energy: 0.878637202453354
Energy: 0.8940535602135644
Energy: 0.919954668061281
Energy: 1.1493562091090497
Energy: 1.0263671555184237
Energy: 0.9321718996947003
Energy: 0.917871781012966
Energy: 0.9035417079817951
Energy: 0.9362035244788984
Energy: 0.8342198575222008
Energy: 1.027271337519695
Energy: 1.0275011574088544
Energy: 0.8348943078175987
Energy: 1.0384591381406671
Energy: 0.8849933511101449
Energy: 0.8341642917966519
Energy: 1.0384642630353242
Energy: 1.0383862767790781
Energy: 0.835258715658287
Energy: 1.1227963368454468
Energy: 0.8973178654877452
Energy: 1.1266976532712323
Energy: 1.04658242770473
Energy: 0.9491864573636939
Energy: 0.9342925881536669
Energy: 0.9014434926868162
Energy: 0.949201444194037
Energy: 1.3708367284112584
Energy: 0.8826737308565267
Energy: 0.9170353304261939
Energy: 1.3088639228293728
Energy: 0.8976812886404544
Energy: 1.0219430128256692
Energy: 1.1954533673685563
Energy: 1.0518412933288974
Energy: 1.0403099627576855
Energy: 1.0110641715683282
Energy: 1.052936559511324
Energy: 0.9615155598601876
Energy: 0.8093890269302085
Energy: 1.1351069740777935
Energy: 1.0858068035336068
Energy: 0.8568296177316379
Energy: 1.1407210063307744
Energy: 0.863858129166653
Energy: 0.8144518056108424
Energy: 1.0491821108944177
Energy: 1.0494106464043602
Energy: 0.8165762021778628
Energy: 1.0563237592073622
Energy: 1.085196210359916
Energy: 1.1869309154132976
Energy: 0.9518623678917701
Energy: 0.9348933296932775
Energy: 1.0092206611861512
Energy: 0.8495656930222443
Energy: 0.9960425625670298
Energy: 1.0259504471953602
Energy: 0.9041613948056717
Energy: 0.8976512008619542
Energy: 1.0262807290294909
Energy: 0.904502852692002
Energy: 0.9094138553244692
Energy: 0.9952012860804275
Energy: 0.9350934657029556
Energy: 0.9390070665657408
Energy: 0.9777985858752061
Energy: 0.9461548163690707
Energy: 0.9613694997980218
Energy: 0.8220098207026646
Energy: 0.945266728929219
Energy: 0.9458654839958788
Energy: 0.9039839974619035
Energy: 0.9547763700496189
Energy: 0.9043457295665313
Energy: 0.8292807468683343
Energy: 0.8972748920307023
Energy: 0.8883497003573242
Energy: 0.8214491704464563
Energy: 0.8942598999901208
Energy: 0.8881508061932237
Energy: 1.2201327728294185
Energy: 0.934241356825395
Energy: 0.9354231954813336
Energy: 0.9579460015498085
Energy: 0.9076305912617596
Energy: 0.9423121849796111
Energy: 0.831145748546056
Energy: 0.8829279239954847
Energy: 0.9184926729195715
Energy: 0.8316182893364497
Energy: 0.8833356612908969
Energy: 0.9188383702449354
Energy: 0.8393555776640974
Energy: 0.9227989395301235
Energy: 0.9200976337315522
Energy: 0.8406292939618698
Energy: 0.9237619447188914
Energy: 0.8936716277044425
Energy: 0.8830380864202821
Energy: 0.9257477166333554
Energy: 0.9250133780368796
Energy: 0.9324694336283589
Energy: 0.9240332094611635
Energy: 0.923904220594668
Energy: 0.882752042687758
Energy: 0.8389586961143344
Energy: 0.8305451513220041
Energy: 0.9000681540257738
Energy: 0.8356210890463563
Energy: 0.8306413748375958
Energy: 0.8493798600904229
Energy: 0.9310876955043269
Energy: 0.9283683348305923
Energy: 0.9379008482042613
Energy: 0.8893036273931809
Energy: 0.9291767603008552
Energy: 0.8894479717069141
Energy: 0.9262988040838462
Energy: 0.9254180766149066
Energy: 0.8925172091694974
Energy: 0.9284222758794453
Energy: 0.9275604805261954
Energy: 0.8904173699375811
Energy: 0.89369940023561
Energy: 0.8864436284216544
Energy: 0.8930499231411873
Energy: 0.8938675041825977
Energy: 0.8975890079608835
Energy: 1.1613741047817443
Energy: 0.9241563415074924
Energy: 0.9006790730067553
Energy: 0.9183838926414205
Energy: 0.910412766235541
Energy: 0.9235233545240864
Energy: 0.840514725214944
Energy: 1.0313790526120916
Energy: 1.0229751962142872
Energy: 0.8978307822796512
Energy: 1.0263055154312706
Energy: 1.0227207230802995
Energy: 0.8330570571920366
Energy: 1.142248932354553
Energy: 0.937600829074247
Energy: 0.8995184908482358
Energy: 1.1354360112528414
Energy: 0.8830205345712753
Energy: 1.0237625701858166
Energy: 1.0453076524949634
Energy: 1.0406108815591812
Energy: 0.8896966718639537
Energy: 1.0387417299588428
Energy: 0.9447024013337761
Energy: 1.1528949403996211
Energy: 0.897315797343264
Energy: 1.0044630434371724
Energy: 1.0307388326336833
Energy: 0.8975428750885948
Energy: 1.0057947064896928
Energy: 1.2298011814995966
Energy: 0.9835378865689839
Energy: 1.0109897037779014
Energy: 0.982904150271235
Energy: 0.879884124025544
Energy: 0.9248534855006607
Energy: 0.8540116169781765
Energy: 1.0441607895355594
Energy: 1.0325199919584866
Energy: 0.818531307610208
Energy: 1.1242478368466218
Energy: 1.0381387900745793

minimum gb energy = 0.8093890269302085 eV
minimum distance =  2.30382944564341 Angstroms
sigma value = 57


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

Energy: 0.8400253502452746
Energy: 1.2973536546566458
Energy: 0.8754768952191712
Energy: 0.8383093032250672
Energy: 1.2955540685653766
Energy: 0.8739187318604723
Energy: 1.0639454931720613
Energy: 0.962777660154058
Energy: 0.9546497432063019
Energy: 0.9659078078995229
Energy: 0.9578604621952007
Energy: 0.8475756617156556
Energy: 1.137440705257686
Energy: 0.8327345115281757
Energy: 0.8328449724820329
Energy: 1.029250843716516
Energy: 0.8325897262756379
Energy: 0.8349979679428239
Energy: 0.9593711269851939
Energy: 0.8329190327936434
Energy: 0.8534794756427826
Energy: 0.9612518395237294
Energy: 0.7562260456574988
Energy: 0.8638447681000628
Energy: 0.8226762525672765
Energy: 0.8541665545481376
Energy: 0.8444060541739429
Energy: 0.8241450409963397
Energy: 0.8553918883497041
Energy: 0.8753727108132208
Energy: 0.735726754585706
Energy: 0.8272008708944553
Energy: 0.8327286865432811
Energy: 0.8031107546827378
Energy: 0.8271555218832596
Energy: 0.832937409030308
Energy: 0.9590897982434656
Energy: 0.8365790378076244
Energy: 0.8413303944559837
Energy: 0.8320096410497632
Energy: 0.8340813441819916
Energy: 0.8357133150627329
Energy: 1.0511092647779425
Energy: 0.8026655093715894
Energy: 0.8028341867521892
Energy: 0.8694890775667502
Energy: 0.8027108922287289
Energy: 0.8334964584563438
Energy: 0.772837507449424
Energy: 0.8187239400551127
Energy: 0.7689343917212046
Energy: 0.7745656777497912
Energy: 0.8059682366828962
Energy: 0.7691989751454184
Energy: 0.7689790144810987
Energy: 0.8100676268543925
Energy: 0.8097662380489259
Energy: 0.7685228836807241
Energy: 0.8227363901914037
Energy: 0.8101359183575605
Energy: 0.7490881396879959
Energy: 0.7419863142563926
Energy: 0.8139439265593182
Energy: 0.7941186255556391
Energy: 0.7417274560551118
Energy: 0.8161819624745171
Energy: 0.7751364921468981
Energy: 0.7530190015699838
Energy: 0.7591258865595658
Energy: 0.7766325240505666
Energy: 0.7482649974742692
Energy: 0.8011200480778942
Energy: 0.7708085203410487
Energy: 0.8601611362069356
Energy: 0.8065537261530122
Energy: 0.8100675854925696
Energy: 0.8653416656078894
Energy: 0.8055175735216903
Energy: 0.7432819503620458
Energy: 0.803310169865303
Energy: 0.7790983299709652
Energy: 0.7457291136906282
Energy: 0.8583560504098451
Energy: 0.7589315247931216
Energy: 0.7417854737654964
Energy: 0.7992283312019245
Energy: 0.7999708926360319
Energy: 0.74189196380093
Energy: 0.816510697477031
Energy: 0.7998758088947218
Energy: 0.8272499200342217
Energy: 0.7875753708475293
Energy: 0.8228876649710481
Energy: 0.8251665052218471
Energy: 0.7836986625958264
Energy: 0.8190004943768674
Energy: 0.7447379205411641
Energy: 0.7839645377846478
Energy: 0.7690199303397994
Energy: 0.7467480078764742
Energy: 0.7788197704095039
Energy: 0.8077257402555076
Energy: 0.8071388417512119
Energy: 0.8263774661361356
Energy: 0.8269748044315972
Energy: 0.8083940439915374
Energy: 0.8296404346888173
Energy: 0.8297996530678736
Energy: 0.8283785281413523
Energy: 0.8367589176282646
Energy: 0.8270810235336714
Energy: 0.8309543180728421
Energy: 0.7817461041122118
Energy: 0.8273635154953807
Energy: 1.0784844678142178
Energy: 0.843253870470956
Energy: 0.8452214581158017
Energy: 1.0790021502301166
Energy: 0.8242654538893105
Energy: 0.8460912539289895
Energy: 1.0726252847899211
Energy: 0.969122573611574
Energy: 0.8384869549918175
Energy: 0.8567474440776182
Energy: 0.9641951408378998
Energy: 0.84750847706176
Energy: 0.7418744710440194
Energy: 0.9718163920326626
Energy: 0.8275310264598896
Energy: 0.8243309385299856
Energy: 0.9682990685452073
Energy: 0.8377669620049879
Energy: 0.775461120204633
Energy: 0.9507478194605805
Energy: 0.9559794249578905
Energy: 0.7769299415698148
Energy: 1.0263274348020752
Energy: 0.9465048408397877
Energy: 1.0582905341026065
Energy: 0.8538538764716559
Energy: 0.8382435875136712
Energy: 0.9564641920041769
Energy: 0.9398056619071425
Energy: 0.8443793577686605
Energy: 1.135949609010173
Energy: 0.8384292258688876
Energy: 0.8402040174854412
Energy: 1.026090167486746
Energy: 0.8383323784804422
Energy: 0.9556395432298431
Energy: 1.0629898608631658
Energy: 0.9647893776840161
Energy: 0.956295097666365
Energy: 0.9598125918976128
Energy: 0.9647621757175913
Energy: 0.9393275857947047
Energy: 0.7479999530287887
Energy: 1.018707021137215
Energy: 0.8662164071707812
Energy: 0.8390999752971233
Energy: 1.0289951298638562
Energy: 0.8504277758205497

minimum gb energy = 0.735726754585706 eV
minimum distance =  2.31883569465663 Angstroms
sigma value = 43


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

Energy: 0.7122585922040345
Energy: 1.0576631603504403
Energy: 0.8002697973003464
Energy: 0.7203783084534894
Energy: 1.0576996601033628
Energy: 0.7915190607025353
Energy: 0.9282835614981892
Energy: 0.8598236557728081
Energy: 0.7496470470969075
Energy: 0.8548043689862584
Energy: 0.8584966602579855
Energy: 0.7436770866356827
Energy: 0.9905708943146618
Energy: 0.7089665061940826
Energy: 0.7394158129290309
Energy: 0.9095250452964477
Energy: 0.7082244116667662
Energy: 0.7409911822172667
Energy: 0.8614351015105455
Energy: 0.7388408270438691
Energy: 0.7327788215270125
Energy: 0.8605601028750652
Energy: 0.7271981591758407
Energy: 0.7863715385818907
Energy: 0.7874951221603438
Energy: 0.7642456395018357
Energy: 0.766762321733345
Energy: 0.7875177522234087
Energy: 0.7644571209329002
Energy: 0.7429919105817114
Energy: 0.6324617052192434
Energy: 0.7539954756474507
Energy: 0.7371435973351063
Energy: 0.691629657224298
Energy: 0.7539418417141741
Energy: 0.7090149652607681
Energy: 0.8819892339617705
Energy: 0.7541219328607043
Energy: 0.7540163174088568
Energy: 0.7514730545798
Energy: 0.7610025455115723
Energy: 0.8791492547862968
Energy: 0.9190515508656009
Energy: 0.6867767216326292
Energy: 0.7045588211408654
Energy: 0.7540271111431621
Energy: 0.6869062028004659
Energy: 0.7051456177961529
Energy: 0.7015604341099032
Energy: 0.7039758954357885
Energy: 0.6988814512101581
Energy: 0.7036435978876566
Energy: 0.7588944198600608
Energy: 0.6989735128643445
Energy: 0.6988565447370993
Energy: 0.7110399424121601
Energy: 0.7116958432247581
Energy: 0.698965308958809
Energy: 0.7199697324681723
Energy: 0.7093750982881636
Energy: 0.6274595540286866
Energy: 0.6627698190836058
Energy: 0.6948582224692089
Energy: 0.6900559507047899
Energy: 0.6627326506191534
Energy: 0.6853666378590062
Energy: 0.7050630216727743
Energy: 0.6624770732181614
Energy: 0.6625301839563982
Energy: 0.6987053081014238
Energy: 0.662535703730377
Energy: 0.7025461613556228
Energy: 0.8853260615578568
Energy: 0.6897386690068513
Energy: 0.7275532099024979
Energy: 0.887396460170774
Energy: 0.7014375763786931
Energy: 0.7035669766931316
Energy: 0.6404515847716139
Energy: 0.687295770143421
Energy: 0.6402124547385586
Energy: 0.6424512441764079
Energy: 0.7294858048471075
Energy: 0.6405003915601611
Energy: 0.6402513920734066
Energy: 0.6782150923465539
Energy: 0.677325924646881
Energy: 0.640310742962146
Energy: 0.6792064269112642
Energy: 0.683581073016596
Energy: 0.633964551929212
Energy: 0.6298521430029639
Energy: 0.6304278412972619
Energy: 0.67650401086006
Energy: 0.6298940725576877
Energy: 0.6758164461710717
Energy: 0.6443584089275822
Energy: 0.6300929851642613
Energy: 0.6297506171321415
Energy: 0.6677873882753673
Energy: 0.6302083200120655
Energy: 0.6813179443490354
Energy: 0.8719044786156802
Energy: 0.681003302454182
Energy: 0.6810396035405063
Energy: 0.8739405027574959
Energy: 0.6950149081791016
Energy: 0.6804625142228575
Energy: 0.6301204675546913
Energy: 0.7055102255128946
Energy: 0.6296315615882929
Energy: 0.6310104033072946
Energy: 0.6953209421653432
Energy: 0.630335890854541
Energy: 0.8750639828654408
Energy: 0.6889941929099237
Energy: 0.6895138705697017
Energy: 0.87701646577105
Energy: 0.7117045855899581
Energy: 0.6882600238991986
Energy: 0.6663549315508047
Energy: 0.6402954233932513
Energy: 0.6403430577633185
Energy: 0.6887224299887191
Energy: 0.6402568746979272
Energy: 0.6886981155639365
Energy: 0.6344735991889441
Energy: 0.6404759042634467
Energy: 0.6405122179649089
Energy: 0.683017217212451
Energy: 0.6404335850992651
Energy: 0.6813345593893656
Energy: 0.6627339555227325
Energy: 0.6836649621624095
Energy: 0.6836146809386696
Energy: 0.6625361095668223
Energy: 0.6850083736276942
Energy: 0.6849323890170972
Energy: 0.6629991722978752
Energy: 0.7012801991461738
Energy: 0.6628346235455749
Energy: 0.66500769462363
Energy: 0.7404473580004619
Energy: 0.6629909837437973
Energy: 0.8997369854503343
Energy: 0.6828790049286774
Energy: 0.7203617930119655
Energy: 0.90215272037777
Energy: 0.6949251908893029
Energy: 0.739708494339293
Energy: 0.7592412238215754
Energy: 0.6988634300590266
Energy: 0.698853560304898
Energy: 0.7183170989238726
Energy: 0.6991266678093874
Energy: 0.7091342859546668
Energy: 0.6301496960251012
Energy: 0.6993017350499734
Energy: 0.7168006512001288
Energy: 0.684889263554614
Energy: 0.6992228571102107
Energy: 0.6961147724827952
Energy: 0.7538842924705933
Energy: 0.7231728064870004
Energy: 0.7236118291140428
Energy: 0.753913374365808
Energy: 0.7163994322586391
Energy: 0.7216587767524869
Energy: 0.7565970782709911
Energy: 0.7217835967907311
Energy: 0.7537879202520943
Energy: 0.7582329100565817
Energy: 0.6627781226797198
Energy: 0.7541428744187719
Energy: 0.9436053345308398
Energy: 0.6982300167572306
Energy: 0.7219372803587674
Energy: 0.8478802363461525
Energy: 0.6982392673741412
Energy: 0.7219411887381386
Energy: 0.9570091591532992
Energy: 0.7651995380995243
Energy: 0.7642494162087173
Energy: 0.7482893141429503
Energy: 0.8836507702483651
Energy: 0.7662891666669388
Energy: 0.6406906081268389
Energy: 0.855911448853009
Energy: 0.76125896041262
Energy: 0.701024408619921
Energy: 0.8559720685952442
Energy: 0.7299178536372304
Energy: 0.8770489241762663
Energy: 0.8550385751283366
Energy: 0.8363690613789844
Energy: 0.8771074345402954
Energy: 0.8156071495330468
Energy: 0.7984703393731567
Energy: 0.935402873078923
Energy: 0.7480464165600709
Energy: 0.7378049031653505
Energy: 0.8573488480232663
Energy: 0.7561009671136997
Energy: 0.8536950665138461
Energy: 0.9859478282116174
Energy: 0.7273575625056424
Energy: 0.7663813177486238
Energy: 0.9051143195921346
Energy: 0.8292231705360641
Energy: 0.767232038087605
Energy: 0.9285808203952938
Energy: 0.8556083268237268
Energy: 0.8184205635313981
Energy: 0.8548651587874287
Energy: 0.8592295795022856
Energy: 0.7988443670064529

minimum gb energy = 0.6274595540286866 eV
minimum distance =  2.3364487297264 Angstroms
sigma value = 81


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

Energy: 0.07171885485967376
Energy: 0.11752893660064404
Energy: 0.07273793067302907
Energy: 0.07427579048054544
Energy: 0.11752796103647954
Energy: 0.07260446638348975
Energy: 0.11911886022185778
Energy: 0.07292356284495512
Energy: 0.0731298874706888
Energy: 0.11911934733720787
Energy: 0.07596434399152246
Energy: 0.07290444553126744
Energy: 0.11710936147599409
Energy: 0.0723597783870259
Energy: 0.07260730572836872
Energy: 0.11684679316677661
Energy: 0.07244174145559593
Energy: 0.11817044202256372
Energy: 0.07477293792923943
Energy: 0.07251878977774252
Energy: 0.0725504393809622
Energy: 0.07552883241672756
Energy: 0.07244273064677578
Energy: 0.11907777994792779
Energy: 0.11828570871923069
Energy: 0.11694365511436819
Energy: 0.116993435568467
Energy: 0.1195957282549237
Energy: 0.11707968533360903
Energy: 0.11725285109440563
Energy: 0.07327566777772769
Energy: 0.0728153692799096
Energy: 0.0725419446150164
Energy: 0.07526657428584058
Energy: 0.07293163250437548
Energy: 0.07258877654388429
Energy: 0.11806759625892685
Energy: 0.07280794076582761
Energy: 0.07294723398928225
Energy: 0.11729253403200608
Energy: 0.07271176786609641
Energy: 0.07287475393609756
Energy: 0.11717432845928936
Energy: 0.07225674447071649
Energy: 0.07266728099971016
Energy: 0.11714039402502567
Energy: 0.07234874778941514
Energy: 0.11890420459491813
Energy: 0.07441020747220811
Energy: 0.07257333573928344
Energy: 0.11997935326436765
Energy: 0.07617503403058257
Energy: 0.07252412179612754
Energy: 0.12068624200175442
Energy: 0.07291599514182892
Energy: 0.11682150063939742
Energy: 0.11667064669586442
Energy: 0.07263612679397385
Energy: 0.11683335664279768
Energy: 0.11676838306138351

minimum gb energy = 0.07171885485967376 eV
minimum distance =  2.46766898342619 Angstroms
sigma value = 3


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

Energy: 0.8170277810037837
Energy: 0.7874952133014588
Energy: 0.8460548118707684
Energy: 0.8250735966567762
Energy: 0.7858580282615377
Energy: 0.8342396551897509
Energy: 0.8180636316491345
Energy: 0.8182504598948466
Energy: 0.8064247125615198
Energy: 0.8184297615328802
Energy: 0.8253717101197144
Energy: 0.8073052664483504
Energy: 0.8408892125740587
Energy: 0.8041484032904889
Energy: 0.8033267184219569
Energy: 0.7748867641269932
Energy: 0.8041272759095929
Energy: 0.8237511814293585
Energy: 0.7754887086333364
Energy: 0.8036750535897496
Energy: 0.8031086209956376
Energy: 0.7751649158505852
Energy: 0.7362857753542381
Energy: 0.8235122978173833
Energy: 0.7204951971022939
Energy: 0.8394684862677133
Energy: 0.8268596670104823
Energy: 0.7201232834161169
Energy: 0.8257169716291991
Energy: 0.8279357608253275
Energy: 0.7826978484429343
Energy: 0.8059789063296587
Energy: 0.8077540776929343
Energy: 0.7879508365700816
Energy: 0.8059698490309839
Energy: 0.7868020934556939
Energy: 0.7805175774314599
Energy: 0.7819853134363591
Energy: 0.7823411867735807
Energy: 0.7785880721466536
Energy: 0.7311153745948511
Energy: 0.8473067858495932
Energy: 0.7756082449738579
Energy: 0.7899284532725963
Energy: 0.7895351844907463
Energy: 0.7753499881755612
Energy: 0.763105846434804
Energy: 0.750872381976345
Energy: 0.7953689263756749
Energy: 0.7891495493505285
Energy: 0.8118924168140368
Energy: 0.8123481195674113
Energy: 0.7369775328110926
Energy: 0.81077016639977
Energy: 0.7401581937862145
Energy: 0.7220434930247379
Energy: 0.7237008296397655
Energy: 0.7409722573267361
Energy: 0.7314278950553164
Energy: 0.7572010642793167
Energy: 0.7624617666544365
Energy: 0.7920089727666493
Energy: 0.7919057642646554
Energy: 0.7656310828695422
Energy: 0.766705633823159
Energy: 0.7647740791838825
Energy: 0.6871143365379224
Energy: 0.7967980470780058
Energy: 0.7994222938210603
Energy: 0.6876874819280677
Energy: 0.7975180655478608
Energy: 0.6843444302538377
Energy: 0.6777754964886238
Energy: 0.7500657412351884
Energy: 0.7667079452748898
Energy: 0.6779677635147657
Energy: 0.7505270612278108
Energy: 0.6785592504725768
Energy: 0.7510752651744076
Energy: 0.7665755981569619
Energy: 0.7688758291914093
Energy: 0.7694651256149444
Energy: 0.7120196327866961
Energy: 0.7692530202002267
Energy: 0.7513307157675904
Energy: 0.6472611139197739
Energy: 0.6466653272683222
Energy: 0.7473511166141933
Energy: 0.6482709982014918
Energy: 0.6459670374493287
Energy: 0.746666718032583
Energy: 0.7580432682971819
Energy: 0.7572539026179714
Energy: 0.7528982668826867
Energy: 0.7412628652116988
Energy: 0.7576971620805594
Energy: 0.640651015277249
Energy: 0.7548243159297664
Energy: 0.7534504221495557
Energy: 0.6411602437695764
Energy: 0.7511463469772048
Energy: 0.6316473622594004
Energy: 0.6317392179515908
Energy: 0.7471368094281954
Energy: 0.7474830713817278
Energy: 0.6325290369100636
Energy: 0.7469363320266914
Energy: 0.6323905824762519
Energy: 0.7377149226136646
Energy: 0.7395598219971704
Energy: 0.7478739978955359
Energy: 0.7472822314003333
Energy: 0.7573770727850024
Energy: 0.7480242054812651
Energy: 0.7405815864788046
Energy: 0.6296892109968762
Energy: 0.6296323799597597
Energy: 0.742513184202789
Energy: 0.6347432295605011
Energy: 0.6298682931111276
Energy: 0.74060965942398
Energy: 0.7513563155157548
Energy: 0.7563450096308952
Energy: 0.7421077859245042
Energy: 0.7479530223514868
Energy: 0.7540391557082436
Energy: 0.656561987215221
Energy: 0.7513533173339791
Energy: 0.7005541777520164
Energy: 0.647105668745913
Energy: 0.7627820778032415
Energy: 0.6462855686396011
Energy: 0.6529715146281795
Energy: 0.7731554567267132
Energy: 0.7730427810417707
Energy: 0.6529426571061672
Energy: 0.768873933916971
Energy: 0.7680289817739426
Energy: 0.7521595054794757
Energy: 0.6823751244433734
Energy: 0.6796666452593413
Energy: 0.7568947472441988
Energy: 0.679427097250731
Energy: 0.7554440949685954
Energy: 0.779647303061367
Energy: 0.6833068773092122
Energy: 0.68384716205334
Energy: 0.7655916614676803
Energy: 0.6873191784060568
Energy: 0.6841474492437243
Energy: 0.7709747242660969
Energy: 0.7757712278048523
Energy: 0.7759203756410936
Energy: 0.7715565777260813
Energy: 0.7537633525405856
Energy: 0.7919699833848719
Energy: 0.7254707851004504
Energy: 0.7756929192271623
Energy: 0.7763852478079244
Energy: 0.7250027249589232
Energy: 0.7752232282206146
Energy: 0.7244583192054374
Energy: 0.7020776070415057
Energy: 0.8165033091489419
Energy: 0.8127680379855905
Energy: 0.7019675893711417
Energy: 0.7604125632509376
Energy: 0.8129219758599562
Energy: 0.7722412075930569
Energy: 0.7722494445126219
Energy: 0.7775324018192582
Energy: 0.7744908936223284
Energy: 0.7717658653922579
Energy: 0.7732127008319194
Energy: 0.7348052367379038
Energy: 0.8040340813061795
Energy: 0.7822649767036886
Energy: 0.7344954964997786
Energy: 0.7802575916205615
Energy: 0.900809550705826
Energy: 0.7803103034944215
Energy: 0.8024782732985954
Energy: 0.8017795742593887
Energy: 0.7805007069754117
Energy: 0.7708874116013772
Energy: 0.8011861093664387
Energy: 0.8169801298917518
Energy: 0.8018821627140791
Energy: 0.8094468214676883
Energy: 0.8326182553893633
Energy: 0.7512283128693954
Energy: 0.7840146440638245
Energy: 0.7372140402351466
Energy: 0.7744704713515363
Energy: 0.7729896737509002
Energy: 0.7378640843768555
Energy: 0.7762522815400857
Energy: 0.7903736587881042

minimum gb energy = 0.6296323799597597 eV
minimum distance =  2.32262439214611 Angstroms
sigma value = 67


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

Energy: 1.0021111097360054
Energy: 0.9589308085932146
Energy: 0.9769564229630823
Energy: 0.9722387452664208
Energy: 0.9579412853766783
Energy: 1.0304361337161547
Energy: 1.012128180677924
Energy: 0.9926505961311952
Energy: 0.9970545789952723
Energy: 1.0122274906719346
Energy: 0.9875888140725438
Energy: 0.9957037826221393
Energy: 1.016701247226919
Energy: 0.964882303344276
Energy: 0.9925230110510875
Energy: 0.9776541185594688
Energy: 0.9645273794816519
Energy: 0.9932806674580098
Energy: 0.9238334042490455
Energy: 0.9939853511157478
Energy: 0.9958383225087133
Energy: 0.9244254018102277
Energy: 0.9622951762042506
Energy: 0.9932240672403252
Energy: 0.920184968815576
Energy: 0.9941855747286508
Energy: 1.004738431877718
Energy: 0.9203886962589115
Energy: 0.9866441854236616
Energy: 0.9950188295225191
Energy: 0.9244559092672654
Energy: 0.9623396275334658
Energy: 0.9458920866852539
Energy: 0.850569917575354
Energy: 0.9584376429646679
Energy: 0.9451960806183574
Energy: 0.9256589429467044
Energy: 0.914898988656399
Energy: 0.9323051836902996
Energy: 0.9271791840347628
Energy: 0.9068717814622025
Energy: 0.9321782551600234
Energy: 0.913698686231928
Energy: 0.9274619696433823
Energy: 0.9384603246447525
Energy: 0.9138609727746646
Energy: 0.9277131931481285
Energy: 0.9331454411980177
Energy: 0.9262134420344947
Energy: 0.9656994538995195
Energy: 0.9662631082834038
Energy: 0.9693315681043695
Energy: 0.9031648136119391
Energy: 0.9723240560459184
Energy: 0.931331192813288
Energy: 0.8476229834518587
Energy: 0.8393406115947738
Energy: 0.9328212495968602
Energy: 0.8421869803264204
Energy: 0.8399953663369729
Energy: 0.9260267914923195
Energy: 0.9384750455223679
Energy: 0.9376165593894039
Energy: 0.8012294549175151
Energy: 0.907540376587469
Energy: 0.9393920224995056
Energy: 0.8031482942380453
Energy: 0.9311888953141869
Energy: 0.9299208683642659
Energy: 0.8045858715915112
Energy: 0.9325037396164193
Energy: 0.7964284456247813
Energy: 0.8082168543141692
Energy: 0.9233459983457436
Energy: 0.9207049167096316
Energy: 0.8093277238810198
Energy: 0.916336037474193
Energy: 0.7982818349384684
Energy: 0.902162672797885
Energy: 0.9196945084347457
Energy: 0.9198084187219563
Energy: 0.8560070621245325
Energy: 0.9036591847954851
Energy: 0.9190053244462398
Energy: 0.9012129858686895
Energy: 0.8054282943865109
Energy: 0.7973130744224167
Energy: 0.9030244261940491
Energy: 0.7995523979643193
Energy: 0.7962520823632531
Energy: 0.9042316694015599
Energy: 0.9364211545044542
Energy: 0.9324828128638006
Energy: 0.9349946489606936
Energy: 0.9262097256935823
Energy: 0.9295835206221948
Energy: 0.8517385550469789
Energy: 0.9229062851969153
Energy: 0.9189439464664607
Energy: 0.8531836034463198
Energy: 0.9136968639256885
Energy: 0.8399547951909204
Energy: 0.8431890690814194
Energy: 0.9467493755126801
Energy: 0.9679280358306968
Energy: 0.8374187973262752
Energy: 0.9423960610175081
Energy: 0.8376941036036856
Energy: 0.904471128725115
Energy: 0.925610496184076
Energy: 0.9396374855323367
Energy: 0.8154953773104486
Energy: 0.9271561899659616
Energy: 0.9395173405390634
Energy: 0.91089882088313
Energy: 0.9305482647169205
Energy: 0.9409945376392229
Energy: 0.9103190280269067
Energy: 0.9211413234884449
Energy: 0.9342962973957415
Energy: 0.915024751881929
Energy: 0.9882334424633636
Energy: 0.9879247716807051
Energy: 0.9163348649235492
Energy: 0.9434851597543599
Energy: 0.9887515511562118
Energy: 1.0190179676711162
Energy: 0.9384487436610885
Energy: 0.9885491003704919
Energy: 0.9844927647348471
Energy: 0.9391163385667425
Energy: 0.9886038833610156
Energy: 0.9928139433586416
Energy: 0.9241010762204643
Energy: 0.9329865807127522
Energy: 0.9942404083539581
Energy: 0.9205150356110083
Energy: 0.9882604403343017

minimum gb energy = 0.7962520823632531 eV
minimum distance =  2.28786877083157 Angstroms
sigma value = 33


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

Energy: 1.7023166882053566
Energy: 1.1684189728634313
Energy: 1.1532192722714723
Energy: 1.1057762587185624
Energy: 1.3814786563499335
Energy: 1.108378540094228
Energy: 1.0923392223325252
Energy: 0.9819534603744634
Energy: 0.9901014268189526
Energy: 1.1480158214811638
Energy: 1.1051194958013058
Energy: 0.9970261556597636
Energy: 1.1127668499376349
Energy: 1.0766315000925606
Energy: 1.0762448459862
Energy: 1.1122212655844208
Energy: 1.0317548883612382
Energy: 1.0762351733816256
Energy: 0.9897651931518219
Energy: 1.0762634742920831
Energy: 1.0761858456899214
Energy: 0.9903239602125349
Energy: 0.9797614918255109
Energy: 1.0762143191524682
Energy: 0.9814254766762771
Energy: 0.9879634485044346
Energy: 0.9958722725470477
Energy: 0.9812486957430547
Energy: 0.9818130841213456
Energy: 0.9971134294180439
Energy: 1.05093097501062
Energy: 1.1334687229714229
Energy: 0.9992207364146335
Energy: 0.8931901408286123
Energy: 1.133022535955059
Energy: 1.0424760696994864
Energy: 0.9808526149031288
Energy: 1.0002713669903252
Energy: 1.0017037916620417
Energy: 0.9806062969838002
Energy: 1.000448113431794
Energy: 0.9949502202339553
Energy: 0.9987280911540817
Energy: 0.9797602145090757
Energy: 1.0445613257886281
Energy: 0.9902515570669592
Energy: 0.8941809207265377
Energy: 0.9968088685178214
Energy: 1.0074440695015885
Energy: 1.041454514971071
Energy: 1.0416470684482568
Energy: 1.0485541920877592
Energy: 0.9662390316687677
Energy: 1.0430655732867928
Energy: 1.007552283520457
Energy: 0.9045279316768117
Energy: 0.8946499330252203
Energy: 1.009721937693239
Energy: 0.8975191868656333
Energy: 0.8946402646268585
Energy: 1.00805413463171
Energy: 1.0641740440445622
Energy: 1.021265085117483
Energy: 0.8982609435857449
Energy: 1.009733641511836
Energy: 1.0204138395823448
Energy: 0.8948231348971539
Energy: 1.017857705511496
Energy: 1.022870261311522
Energy: 0.8948683119828953
Energy: 1.0223248115615722
Energy: 0.8945933897085483
Energy: 0.8947286270137169
Energy: 1.0415242304196295
Energy: 1.0423870577620362
Energy: 0.8947936852491941
Energy: 1.0219591249129214
Energy: 0.8951875255938787
Energy: 1.0158735496929825
Energy: 1.0430069543748328
Energy: 1.0436467338671627
Energy: 0.8766762850326248
Energy: 1.0088038304415132
Energy: 1.013540007046286
Energy: 1.01549894201284
Energy: 0.987953328452943
Energy: 0.9965540137939559
Energy: 1.0156744182356774
Energy: 0.9834349962812311
Energy: 0.9986195506366579
Energy: 0.9683671747519668
Energy: 1.0647224693486435
Energy: 1.0643701542069308
Energy: 0.994495255868162
Energy: 0.922362421899057
Energy: 0.9977975280713673
Energy: 1.1117157748837423
Energy: 0.9183089154320476
Energy: 1.064786246811073
Energy: 1.1124672379565923
Energy: 0.9239926998500487
Energy: 1.0646876865615689
Energy: 1.149632800090373
Energy: 0.9814230753102868
Energy: 0.9994816601123482
Energy: 1.1518185242490042
Energy: 0.9834769662605831
Energy: 1.0759270756584716
Energy: 1.0897925565423594
Energy: 1.148053720261762
Energy: 0.9274779353260614
Energy: 0.9163614212773417
Energy: 1.150140258225641
Energy: 1.0630965716046543
Energy: 1.0401738887840235
Energy: 0.9813916953058827
Energy: 0.9820580100150218
Energy: 1.040447304419346
Energy: 0.9812931648737516
Energy: 0.9968291116526992
Energy: 1.1121275888402067
Energy: 0.9938198057406523
Energy: 0.9950839955467394
Energy: 1.1128094458626936
Energy: 1.0840721186661
Energy: 0.9946539016797364
Energy: 0.9900252779209027
Energy: 1.0769908469974465
Energy: 1.076269419828492
Energy: 0.9903564378870142
Energy: 1.085952681212042
Energy: 1.0760871911988488
Energy: 0.9800809205967398
Energy: 0.9893011742363534
Energy: 0.9960962950691602
Energy: 0.9809658072504865
Energy: 1.1088436656133114
Energy: 0.9974831565596399
Energy: 1.050956831839065
Energy: 1.1336358997599405
Energy: 1.1241258078264362
Energy: 0.9810657701330057
Energy: 1.1351625887333985
Energy: 1.0422098546151826
Energy: 0.9797744468474472
Energy: 1.000151541741802
Energy: 1.0020221834609073
Energy: 0.9797600283636564
Energy: 0.9992584903331614
Energy: 1.0000440801631174
Energy: 0.9942424434480264
Energy: 1.0429132577032165
Energy: 1.044391388253585
Energy: 0.9959712821847307
Energy: 0.8943587953722505
Energy: 0.9969718524155874
Energy: 1.0073955239095658
Energy: 1.0417981013751039
Energy: 1.042105292282301
Energy: 1.0101014664183774
Energy: 1.0030440914361476
Energy: 1.0461776050162144
Energy: 1.0068275650883247
Energy: 0.894787524797727
Energy: 0.8945594800220716
Energy: 1.009095126955424
Energy: 0.8987914859929425
Energy: 0.8949050176285301
Energy: 1.0077935156795519
Energy: 1.028866639917098
Energy: 1.01795844066828
Energy: 0.8985708832040197
Energy: 1.034996281751963
Energy: 1.0231532219395159
Energy: 0.8944544866645664
Energy: 1.0173278427361696
Energy: 1.0173515255492578
Energy: 0.8944934298180071
Energy: 0.9747821765503153
Energy: 0.8946893938778725
Energy: 0.8943115292139238
Energy: 1.041323772765278
Energy: 0.9779978952575766
Energy: 0.8944185661912948
Energy: 1.018685332884255
Energy: 0.8959867359370002
Energy: 1.0156104778059307
Energy: 1.0445143136256967
Energy: 1.043971652252784
Energy: 0.9719240676947307
Energy: 1.0100123778804757
Energy: 1.0224262881582085
Energy: 0.9516055407175384
Energy: 0.9881155523203287
Energy: 0.9966139573774715
Energy: 0.9525515379872668
Energy: 0.9925344886625119
Energy: 0.9951556104664018
Energy: 0.969444296213625
Energy: 1.0159951999894767
Energy: 0.9991231941721648
Energy: 0.9950874738477173
Energy: 0.9182794089622011
Energy: 0.9988550457106258
Energy: 1.1131150580752274
Energy: 0.9184634410714407
Energy: 1.064664728713047
Energy: 1.1139201917507506
Energy: 1.0143183752123532
Energy: 1.0647122738630355
Energy: 1.1460614959487696
Energy: 0.9813424467046266
Energy: 0.9954979568909121
Energy: 1.1034081078976616
Energy: 0.9851191265677306
Energy: 0.9958779373650716
Energy: 1.0774268797191935
Energy: 0.9861907667497004
Energy: 0.919144040369873
Energy: 0.9229897310498655
Energy: 1.149685125966494
Energy: 1.0633294161368754

minimum gb energy = 0.8766762850326248 eV
minimum distance =  2.29010095287801 Angstroms
sigma value = 41


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

Energy: 1.5120347338085705
Energy: 1.2119796227460273
Energy: 1.1852680499848194
Energy: 1.0020201585231072
Energy: 1.5585803021330313
Energy: 1.1825421496000874
Energy: 1.21897404732601
Energy: 1.1395263533330757
Energy: 1.1337423470831476
Energy: 1.2187948509858155
Energy: 1.2213257346868935
Energy: 1.1622558206966807
Energy: 1.169480438146068
Energy: 1.0645709777127317
Energy: 1.077857058474563
Energy: 1.1702223282703201
Energy: 1.0373914886952629
Energy: 1.0765034026086229
Energy: 1.0519293803535055
Energy: 1.100947625335332
Energy: 1.1597240227239285
Energy: 1.0519595377080313
Energy: 1.0659912639841667
Energy: 1.0360536943896475
Energy: 1.0363384261960833
Energy: 1.1371907869545534
Energy: 1.1618855669808834
Energy: 1.0331448037408015
Energy: 1.220395684173295
Energy: 1.1648283369215753
Energy: 1.0713545027110842
Energy: 1.2438126825138025
Energy: 1.0817425437289983
Energy: 1.0629486078131
Energy: 1.2445517492238565
Energy: 1.080953889820148
Energy: 1.0323180289144667
Energy: 1.0631198866335414
Energy: 1.0631169795074362
Energy: 1.032292986683838
Energy: 1.0631262383846027
Energy: 1.064521303884841
Energy: 1.0392862577551047
Energy: 1.0649167256388599
Energy: 1.0626485983298772
Energy: 1.0408849974375818
Energy: 1.0647351454117358
Energy: 1.0654299588292349
Energy: 1.128973268397759
Energy: 1.144655991567969
Energy: 1.1391325242183792
Energy: 1.1397405496311575
Energy: 1.077374890920368
Energy: 1.1383962229101756
Energy: 1.073640256847239
Energy: 1.041798336964418
Energy: 1.0662687995977205
Energy: 1.073136068181301
Energy: 1.0345225006431609
Energy: 1.0655245900199561
Energy: 1.0591299956570426
Energy: 1.1567641112950426
Energy: 1.062944363607685
Energy: 1.06725124895892
Energy: 0.9772056331892309
Energy: 1.0658430166386337
Energy: 1.1630566080387748
Energy: 0.9764286705763892
Energy: 1.1349345064777376
Energy: 1.1631799221811345
Energy: 0.9765989445320066
Energy: 1.115126725370553
Energy: 1.2213836669732148
Energy: 1.0336846753518596
Energy: 1.1543245009336347
Energy: 1.2229275026353812
Energy: 1.0339611077089206
Energy: 1.1621272701886125
Energy: 1.164067714194511
Energy: 1.0516226943616476
Energy: 0.9760679900771367
Energy: 0.9844805672176019
Energy: 1.2133979016278909
Energy: 1.1669583102732992

minimum gb energy = 0.9760679900771367 eV
minimum distance =  2.31238222185002 Angstroms
sigma value = 11


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

Energy: 1.0801196200129315
Energy: 1.116833904730395
Energy: 1.1354824039618046
Energy: 1.0838643338739185
Energy: 1.1249247340966826
Energy: 1.173910778585552
Energy: 1.2825345365329202
Energy: 1.0945418320478617
Energy: 1.0948311412595508
Energy: 1.2821430090464807
Energy: 1.118050264013079
Energy: 1.1564335065481686
Energy: 1.297252706808091
Energy: 1.0737535697988663
Energy: 1.1322072451599852
Energy: 1.2970818632010903
Energy: 1.1079855794146098
Energy: 1.1698089007621817
Energy: 1.1388736117495772
Energy: 1.1382903195783347
Energy: 1.1608374707180171
Energy: 1.1390580984149226
Energy: 1.0774703384026931
Energy: 1.159294714114406
Energy: 1.1391552185286553
Energy: 1.0951375770942147
Energy: 1.1096838908098292
Energy: 1.139349881595578
Energy: 1.1219403052082917
Energy: 1.1375129435882887
Energy: 1.1459618180258535
Energy: 1.1431867272178415
Energy: 1.1553238392580898
Energy: 1.1670998860143926
Energy: 1.1700542136321144
Energy: 1.1095003915482662
Energy: 1.1713439624226694
Energy: 1.1480573312246722
Energy: 1.1586581561715257
Energy: 1.1737448939293014
Energy: 1.136888833804659
Energy: 1.1647629602458165
Energy: 1.1224419682749052
Energy: 1.1661940801735076
Energy: 1.162342365683614
Energy: 1.1177460513701751
Energy: 1.1409921861168284
Energy: 1.1388163335723558
Energy: 1.156005502054595
Energy: 1.173005022684792
Energy: 1.1661937983221207
Energy: 1.138489293037386
Energy: 1.147877967569052
Energy: 1.1378103434805604
Energy: 1.149479689011582
Energy: 1.1722545817027321
Energy: 1.1655716241429106
Energy: 1.1597820972617754
Energy: 1.2612103263816858
Energy: 1.1484481239856053
Energy: 1.121892219928463
Energy: 1.1751639497138717
Energy: 1.1426797999931575
Energy: 1.1185847123510049
Energy: 1.1198839262770752
Energy: 1.0950052874297855
Energy: 1.1280412707193634
Energy: 1.1194292759620583
Energy: 1.1490693688935998
Energy: 1.1261149817584244
Energy: 1.0765442239536083
Energy: 1.1708130615796106
Energy: 1.094346139830877
Energy: 1.1457550302829946
Energy: 1.1453470771299163
Energy: 1.0945090401571431
Energy: 1.2648571787314185
Energy: 1.1308310421842795
Energy: 1.1437571454049658
Energy: 1.1380006086947947
Energy: 1.1594375192386224
Energy: 1.1691391523896504
Energy: 1.1739459202253633
Energy: 1.158673511522638
Energy: 1.0740539364617034
Energy: 1.145667378831107
Energy: 1.1626222735200087
Energy: 1.0738445681765916
Energy: 1.14585227168999
Energy: 1.1468712118887479
Energy: 1.0727609851332238
Energy: 1.1453060480155304
Energy: 1.1495386013244837
Energy: 1.0750124788194735
Energy: 1.1434658786808207
Energy: 1.109850053533459
Energy: 1.0739332920544384
Energy: 1.1386938333218584
Energy: 1.1373635496627814
Energy: 1.1023406082655565
Energy: 1.1382983453581426
Energy: 1.1544879437701454
Energy: 1.2080669452887967
Energy: 1.1433484712589241
Energy: 1.1567758391876803
Energy: 1.196237502580424
Energy: 1.2436070693455596
Energy: 1.1851733111117329
Energy: 1.123655783732937
Energy: 1.122643580354902
Energy: 1.1373735642416145
Energy: 1.1237060082012875
Energy: 1.2038312122436714
Energy: 1.160385525379359
Energy: 1.1858507557567217
Energy: 1.0749814845807026
Energy: 1.154408745540736
Energy: 1.1328598051483991
Energy: 1.0776995422279272
Energy: 1.1319515663006758
Energy: 1.2060203460590835
Energy: 1.1388263995173364
Energy: 1.1560873366734792
Energy: 1.2079636899691168
Energy: 1.076835939662592
Energy: 1.1378571778966666
Energy: 1.116419925761785
Energy: 1.11615575406231
Energy: 1.1402887482513913
Energy: 1.1164350449152851
Energy: 1.2085366951787295
Energy: 1.138572895250581
Energy: 1.096643178212393
Energy: 1.1341892023063203
Energy: 1.1712153492106878
Energy: 1.1102332648488562
Energy: 1.1791018082297666
Energy: 1.1508557089613884
Energy: 1.2074846225195857
Energy: 1.1171374776498708
Energy: 1.1716271287767777
Energy: 1.2032446687918896
Energy: 1.1169287991661623
Energy: 1.1370655594262296
Energy: 1.236299586958326
Energy: 1.0735972203189383
Energy: 1.1663919501172588
Energy: 1.22216735157283
Energy: 1.1080680752681358
Energy: 1.1270264601981268
Energy: 1.1909312323197758
Energy: 1.1028919591010473
Energy: 1.1472881638273396
Energy: 1.1377059305100428
Energy: 1.0740166407978862
Energy: 1.182541846221164
Energy: 1.1785277609901301
Energy: 1.0730705621966599
Energy: 1.0729929358262937
Energy: 1.177654895613054
Energy: 1.0767061391203296
Energy: 1.146119584342371
Energy: 1.1680236405475177
Energy: 1.0822037482149658
Energy: 1.141224475068851
Energy: 1.145884083890854
Energy: 1.0738353064751107
Energy: 1.1644267908919967
Energy: 1.2977787960022669
Energy: 1.0672526574696084
Energy: 1.1466770599337843
Energy: 1.297261107830028
Energy: 1.1942339512238056
Energy: 1.1484840769033604
Energy: 1.2969592758421706
Energy: 1.0945685353048886
Energy: 1.1291661374371755
Energy: 1.2990919835970551
Energy: 1.094596294304479
Energy: 1.171212348381219
Energy: 1.0766498623697727
Energy: 1.0945304515158074
Energy: 1.1616397272048298
Energy: 1.2061710296031016
Energy: 1.1262444312035675
Energy: 1.132834261302899

minimum gb energy = 1.0672526574696084 eV
minimum distance =  2.29434110714843 Angstroms
sigma value = 57


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

Energy: 1.682200519752467
Energy: 1.0234876014092567
Energy: 1.0325791853853243
Energy: 1.034486491205665
Energy: 1.0219841475608307
Energy: 1.0325856979491432
Energy: 1.1076254183468122
Energy: 1.024181002585003
Energy: 1.0624203385097382
Energy: 1.1074287316874825
Energy: 1.1136717511909104
Energy: 1.0123992185792854
Energy: 1.111889173365203
Energy: 1.0172488938612905
Energy: 1.0075238871503929
Energy: 1.1121285087191233
Energy: 1.0183500361250393
Energy: 1.0260320130098333
Energy: 1.012528185286896
Energy: 1.013763390958205
Energy: 1.0218739209388268
Energy: 1.0145383322865265
Energy: 1.015381613503199
Energy: 1.0260011147203112
Energy: 1.021541195254403
Energy: 1.013352663046841
Energy: 1.02301675603349
Energy: 1.0213192285217387
Energy: 1.1116106655324853
Energy: 1.0232910074401336
Energy: 1.0152167381869006
Energy: 1.0215226128614379
Energy: 1.023975436887641
Energy: 1.024421409858629
Energy: 1.0258779548222319
Energy: 1.1150677405644123
Energy: 1.194419281311639
Energy: 1.0202047059991786
Energy: 1.0207767917136545
Energy: 1.196385347214394
Energy: 1.0246790258320062
Energy: 1.0903292303941396
Energy: 1.1070428033249298
Energy: 1.0148965448082872
Energy: 1.0137003703452618
Energy: 1.1091646528706982
Energy: 1.0221579321472676
Energy: 1.024030659549429
Energy: 1.0380032378359674
Energy: 1.0138186951424817
Energy: 1.0213378321830322
Energy: 0.9929763751180531
Energy: 1.0151208165508747
Energy: 1.0388355410086776
Energy: 0.9909895023691937
Energy: 1.0138005467836375
Energy: 1.0209406921235797
Energy: 0.9913391714934816
Energy: 1.115438430190944
Energy: 0.9909683160494203
Energy: 1.108082616337983
Energy: 1.0128624973472318
Energy: 1.025227677745839
Energy: 1.1096920922359472
Energy: 1.0219300355180947
Energy: 1.0258287647455342
Energy: 1.1885343901285976
Energy: 1.048689643997015
Energy: 1.045986828175144
Energy: 1.1901725513912786
Energy: 1.0092352851510522
Energy: 1.0139871318558518
Energy: 1.0243926937051897
Energy: 1.0225038893065554
Energy: 1.0219396937585945
Energy: 1.0266339284491959
Energy: 1.107808194805765
Energy: 1.1036327487008732
Energy: 1.0133298158348394
Energy: 1.0132065414343876
Energy: 1.0137142920320112
Energy: 1.015493851458597
Energy: 1.192722063510901
Energy: 1.0139386143177993
Energy: 1.0226759236602414
Energy: 1.0231578503705572
Energy: 1.0261897693385016
Energy: 1.0226917341499742
Energy: 1.020576159725026
Energy: 1.0235074051830875
Energy: 1.116666911534142
Energy: 1.0204928955254227
Energy: 1.1017718207783238
Energy: 1.1113734681692493
Energy: 1.0202623835648374
Energy: 1.0247601043725125
Energy: 0.9899703934770384
Energy: 1.0252794925924267
Energy: 1.0244282517878092
Energy: 0.9900433866283362
Energy: 1.0237770276079288
Energy: 1.0130638844780568

minimum gb energy = 0.9899703934770384 eV
minimum distance =  2.28822115645721 Angstroms
sigma value = 9


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

Energy: 1.9473947800138587
Energy: 1.2300408284064832
Energy: 1.161809132997205
Energy: 1.1975609148137893
Energy: 1.229306406072778
Energy: 1.1934714770524473
Energy: 1.3174314429626324
Energy: 1.1549750652027122
Energy: 1.1182211766889403
Energy: 1.198859450833065
Energy: 1.1547518827687449
Energy: 1.154846293721434
Energy: 1.1719524740409675
Energy: 1.13798477879191
Energy: 1.154073728157866
Energy: 1.1732444855854878
Energy: 1.1457985426885955
Energy: 1.1555602985407558
Energy: 1.1404569797577973
Energy: 1.1382977779405041
Energy: 1.1359142447605164
Energy: 1.1421083738495312
Energy: 1.150844823042529
Energy: 1.1357807240310676
Energy: 1.1449339845778388
Energy: 1.1583309897081493
Energy: 1.1374172803537146
Energy: 1.1457401932850064
Energy: 1.1838237148722717
Energy: 1.1586764234441633
Energy: 1.0896010280884199
Energy: 1.1325513407232635
Energy: 1.1278636362572056
Energy: 1.0912031376402151
Energy: 1.1640856635117574
Energy: 1.1290801029339774
Energy: 1.162494557956189
Energy: 1.1339597476651422
Energy: 1.1651264610319387
Energy: 1.1640214472134456
Energy: 1.177072403466109
Energy: 1.1659913055589173
Energy: 1.172926206216551
Energy: 1.1342350387514966
Energy: 1.1328927924035228
Energy: 1.174713804012795
Energy: 1.1342796603673635
Energy: 1.1348210839455162
Energy: 1.171034654394709
Energy: 1.1594084653625254
Energy: 1.1605945175474028
Energy: 1.1076220401782548
Energy: 1.186867734964499
Energy: 1.1513876521417092
Energy: 1.1735584115685882
Energy: 1.1569540151094806
Energy: 1.1597116064070965
Energy: 1.163459914414256
Energy: 1.1357635189412976
Energy: 1.1494409956430365
Energy: 1.173610382616923
Energy: 1.1275493713313627
Energy: 1.136854240764136
Energy: 1.1754277384265548
Energy: 1.0937979948360765
Energy: 1.1362744057855814
Energy: 1.1790059258695365
Energy: 1.1398213973471472
Energy: 1.1412876441731972
Energy: 1.1805995914398988
Energy: 1.1476536996451612
Energy: 1.176058594167861
Energy: 1.1714294338980917
Energy: 1.1505668089690857
Energy: 1.1547475748386016
Energy: 1.0549785096642161
Energy: 1.1373921640306863
Energy: 1.127225541572263
Energy: 1.1802200886050946
Energy: 1.151719567067533
Energy: 1.1511722194237208
Energy: 1.18211530101101
Energy: 1.191377597951712
Energy: 1.1350787209307407
Energy: 1.15921488262634
Energy: 1.1261333344300997
Energy: 1.1260998219189509
Energy: 1.1606928747504313
Energy: 1.1291270566812994
Energy: 1.1507176425254189
Energy: 1.1392689901186388
Energy: 1.1487046419131441
Energy: 1.151764074913578
Energy: 1.1393167502054309
Energy: 1.1434831385718325
Energy: 1.151754597861155
Energy: 1.1459095143389921
Energy: 1.1534717225310325
Energy: 1.1360371543265468
Energy: 1.1466575735780977
Energy: 1.1962320946310745
Energy: 1.1364574827877871
Energy: 1.3880979341577027
Energy: 1.1739031500264145
Energy: 1.1739120906876275
Energy: 1.2071924520505597
Energy: 1.1713301037410615
Energy: 1.1587570840337822
Energy: 1.1767541059492368
Energy: 1.1389442269763232
Energy: 1.1385156289550122
Energy: 1.1777963332538441
Energy: 1.1705687273336527
Energy: 1.1390099323047995
Energy: 1.2828775363454263
Energy: 1.139469632853897
Energy: 1.1372844099532076
Energy: 1.2845739973034551
Energy: 1.0956760291363936
Energy: 1.1511056528564525
Energy: 1.1499586715394314
Energy: 1.1563215828288298
Energy: 1.1476808534451843
Energy: 1.1436290289638227
Energy: 1.14407734009421
Energy: 1.175453212907566

minimum gb energy = 1.0549785096642161 eV
minimum distance =  2.28741028601898 Angstroms
sigma value = 27


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

Energy: 1.2844247130210407
Energy: 1.1998552847946917
Energy: 1.200399309288535
Energy: 1.1946688442744544
Energy: 1.6100205262134313
Energy: 1.2594862146446981
Energy: 1.3348364261743526
Energy: 1.1798721225648263
Energy: 1.2054296073162563
Energy: 1.1875680629848369
Energy: 1.1785597008166264
Energy: 1.2057508749274974
Energy: 1.3049219044390172
Energy: 1.3037480876907945
Energy: 1.2128017623322322
Energy: 1.2165556945401645
Energy: 1.224608236811053
Energy: 1.309086185726346
Energy: 1.2626716759810421
Energy: 1.2107727719575545
Energy: 1.2632666635863887
Energy: 1.2467082733109827
Energy: 1.2822608986963007
Energy: 1.189189743568496
Energy: 1.2613697052000874
Energy: 1.1579998354939705
Energy: 1.2784168426055986
Energy: 1.26367818343787
Energy: 1.248839795918314
Energy: 1.2379478268355082
Energy: 1.3012934909638636
Energy: 1.1837585741968155
Energy: 1.203610698664035
Energy: 1.2851640591872746
Energy: 1.1883749404720774
Energy: 1.2057187266107912
Energy: 1.258170537947226
Energy: 1.2004808853982272
Energy: 1.2061013666768512
Energy: 1.2407642105815384
Energy: 1.1975207591238584
Energy: 1.2040170675793656
Energy: 1.3448517817959262
Energy: 1.1950050129372016
Energy: 1.205843676418743
Energy: 1.3465117141973757
Energy: 1.1982266826323862
Energy: 1.2660517689739095
Energy: 1.2707990731238012
Energy: 1.2419924018137487
Energy: 1.2387785796540158
Energy: 1.2765443671996644
Energy: 1.2557059033370832
Energy: 1.2386094582357434
Energy: 1.2727338888054616
Energy: 1.2597557991550976
Energy: 1.2442019018978332
Energy: 1.2756129342045246
Energy: 1.2551631154425604
Energy: 1.2434803430134451
Energy: 1.2618527093322096
Energy: 1.2559450508248562
Energy: 1.2854932062034412
Energy: 1.2600687454980302
Energy: 1.2640754422602847
Energy: 1.2830597653116778
Energy: 1.2667970993955746
Energy: 1.2618151874391428
Energy: 1.2624031310560635
Energy: 1.2685428776919108
Energy: 1.2765730547048397
Energy: 1.2624630350467778
Energy: 1.199773309054519
Energy: 1.2644047100664584
Energy: 1.2031275412182005
Energy: 1.2000118283121832
Energy: 1.2555343055320496
Energy: 1.2032157195366435
Energy: 1.218872197855624
Energy: 1.2776152281378947
Energy: 1.2696079389220984
Energy: 1.2204372349135115
Energy: 1.264770041377538
Energy: 1.189496357706822
Energy: 1.2737597204395268
Energy: 1.2707792675276235
Energy: 1.241812200954243
Energy: 1.273720363833891
Energy: 1.278299654646549
Energy: 1.2425892974983264
Energy: 1.244277546021816
Energy: 1.2460160393063842
Energy: 1.2486275220598977
Energy: 1.2449194686703375
Energy: 1.2620192479789913
Energy: 1.265685080932316
Energy: 1.26145570245981
Energy: 1.2695082802285347
Energy: 1.276253080503874
Energy: 1.2633369245744022
Energy: 1.2678264083687052
Energy: 1.255606528119246
Energy: 1.2683360575904392
Energy: 1.239050638314613
Energy: 1.2653142320994297
Energy: 1.2779392255532642
Energy: 1.1884023713592229
Energy: 1.2604523077572651
Energy: 1.244154670423989
Energy: 1.1890741889001961
Energy: 1.194509035315734
Energy: 1.2468912625424982
Energy: 1.2419626870178666
Energy: 1.1972015303629024
Energy: 1.2768606362540296
Energy: 1.1892302433044408
Energy: 1.1943743404078704
Energy: 1.2498600920987029
Energy: 1.2415572525236338
Energy: 1.1965152074954348
Energy: 1.3731479317162418
Energy: 1.1832876322522539
Energy: 1.2371890108156465
Energy: 1.2712172222478726
Energy: 1.1870561399675141
Energy: 1.2662544293008189
Energy: 1.2415760282006225
Energy: 1.1873540383826322
Energy: 1.285686297978984
Energy: 1.2184626569206618
Energy: 1.2779786693386823
Energy: 1.2159664525249891
Energy: 1.3650904659527225
Energy: 1.2754167472842044
Energy: 1.3097054430163921
Energy: 1.2614705048165118
Energy: 1.2865232415917216
Energy: 1.269269970951003
Energy: 1.2769320461793159
Energy: 1.3061630501595034
Energy: 1.2183206016551633
Energy: 1.1815032349070358
Energy: 1.2149552261942307
Energy: 1.3039452365880564
Energy: 1.1995161796437417
Energy: 1.180786545974501
Energy: 1.2065843431382506
Energy: 1.201261982966042
Energy: 1.1587646197915944
Energy: 1.2332966702556656

minimum gb energy = 1.1579998354939705 eV
minimum distance =  2.25208595280972 Angstroms
sigma value = 19


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

Energy: 1.858401833138385
Energy: 1.3428544877129123
Energy: 1.246938381848759
Energy: 1.261512788353877
Energy: 1.3496597552009728
Energy: 1.247770767307933
Energy: 1.3425093893221292
Energy: 1.2203911784494776
Energy: 1.2318668019753047
Energy: 1.2637394157927215
Energy: 1.2054522770591765
Energy: 1.2249526151243026
Energy: 1.2304008215028284
Energy: 1.2527767754907675
Energy: 1.2308538359267525
Energy: 1.230067532771842
Energy: 1.211294093952334
Energy: 1.2315444319999773
Energy: 1.2137518726509002
Energy: 1.2243142570548
Energy: 1.2254153997343946
Energy: 1.2046242233672677
Energy: 1.2268439664962265
Energy: 1.2242908909855221
Energy: 1.2247420795409711
Energy: 1.2445479459023268
Energy: 1.2658178982002803
Energy: 1.2279229473576216
Energy: 1.2319067830130108
Energy: 1.2494332861171382
Energy: 1.216266346553605
Energy: 1.223839801164231
Energy: 1.227084293251476
Energy: 1.2176155099162826
Energy: 1.2421247111108689
Energy: 1.2265172335303458
Energy: 1.2114952451685124
Energy: 1.2132794323616505
Energy: 1.2041496265232714
Energy: 1.2114476212852756
Energy: 1.2526767998483022
Energy: 1.181144470008823
Energy: 1.2162100628503922
Energy: 1.2082112868356054
Energy: 1.225345484081825
Energy: 1.2176583686138884
Energy: 1.218364487917044
Energy: 1.2172354263410734
Energy: 1.222133409386265
Energy: 1.2006849550823775
Energy: 1.234932840045521
Energy: 1.2085283758711816
Energy: 1.2139752825785353
Energy: 1.2324850636451081
Energy: 1.2185682071313284
Energy: 1.2100100615071123
Energy: 1.2105718661641904
Energy: 1.2199285090986853
Energy: 1.1634570972082678
Energy: 1.2098851308032121
Energy: 1.2096061001268616
Energy: 1.2336031371212701
Energy: 1.2418064292576314
Energy: 1.2097074523946316
Energy: 1.1993167081365805
Energy: 1.226727436727119
Energy: 1.2496101236222241
Energy: 1.1967473085072997
Energy: 1.209984865875952
Energy: 1.251085101403781
Energy: 1.164048456011343
Energy: 1.2087131302651053
Energy: 1.2546266726523165
Energy: 1.1853803909899168
Energy: 1.1900457111709861
Energy: 1.2392382673760478
Energy: 1.1907505461633174
Energy: 1.189705189611382
Energy: 1.1884698064629662
Energy: 1.1988188696446396
Energy: 1.1970954106647094
Energy: 1.1724402297704852
Energy: 1.1888093015574488
Energy: 1.1972042936479743
Energy: 1.2581340119712512
Energy: 1.2227801693507168
Energy: 1.22997975861411
Energy: 1.2592378818557912
Energy: 1.2064567242302429
Energy: 1.2303990770687983
Energy: 1.1900268557762368
Energy: 1.1920836296135964
Energy: 1.1959381528873523
Energy: 1.1916496137196975
Energy: 1.1719185026446346
Energy: 1.1952383517182223
Energy: 1.2563046403815894
Energy: 1.1583530023679283
Energy: 1.1619968107884129
Energy: 1.1909436996459262
Energy: 1.158140932022535
Energy: 1.205737949521476
Energy: 1.167642066404589
Energy: 1.173718829073446
Energy: 1.1922355572904453
Energy: 1.1436732312514668
Energy: 1.1907445994660626
Energy: 1.1926504403912097
Energy: 1.202969613410217
Energy: 1.2125653188431615
Energy: 1.2071347936860568
Energy: 1.2030024359214888
Energy: 1.2064468647666766
Energy: 1.1897771739006393
Energy: 1.1832380291180968
Energy: 1.2071599666820454
Energy: 1.2071655012182376
Energy: 1.1829667418585537
Energy: 1.2046638564892962
Energy: 1.1896320062396242
Energy: 1.1941390296247305
Energy: 1.1930864507046384
Energy: 1.1917732111591448
Energy: 1.1964434058318443
Energy: 1.186540854853524
Energy: 1.228530228950308
Energy: 1.2074961920231455
Energy: 1.2124041897824032
Energy: 1.211442397935148
Energy: 1.209214485730068
Energy: 1.22096169405875
Energy: 1.2100323697004753
Energy: 1.1696934902484393
Energy: 1.22263900213159
Energy: 1.1915840042470787
Energy: 1.170188254931129
Energy: 1.2699511754767148
Energy: 1.1892965550843366
Energy: 1.1889654731307726
Energy: 1.1853830851452185
Energy: 1.1860268522864923
Energy: 1.188927217126664
Energy: 1.1747722494470687
Energy: 1.186178312170637
Energy: 1.1766011282024431
Energy: 1.2235987259351864
Energy: 1.208396143282346
Energy: 1.1653732503946324
Energy: 1.251196851233378
Energy: 1.2083075284437341
Energy: 1.2457539917933318
Energy: 1.222351520156458
Energy: 1.209316667510182
Energy: 1.2077488321563543
Energy: 1.2097700911028246
Energy: 1.2090788802470327
Energy: 1.175672891488776
Energy: 1.2392337516066818
Energy: 1.2107768140858157
Energy: 1.1770487295849048
Energy: 1.2316233136103794
Energy: 1.2107959203712724
Energy: 1.239662740360658
Energy: 1.2271271073740142
Energy: 1.2281354560551545
Energy: 1.252614802314087
Energy: 1.2110789896078424
Energy: 1.2325845642723177
Energy: 1.2203870173338704
Energy: 1.2164672281817144
Energy: 1.2167807362004095
Energy: 1.169808936727685
Energy: 1.2002710424824943
Energy: 1.1853525138047207

minimum gb energy = 1.1436732312514668 eV
minimum distance =  2.27493675085801 Angstroms
sigma value = 101


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

Energy: 1.695467109256664
Energy: 1.2134867586537144
Energy: 1.1902772958601118
Energy: 1.119258312295593
Energy: 1.2133474332788532
Energy: 1.2274243222485606
Energy: 1.2826977626355753
Energy: 1.173143531889501
Energy: 1.1871476000571308
Energy: 1.2479374569532542
Energy: 1.1548958384143402
Energy: 1.1795397891629829
Energy: 1.2086911090909704
Energy: 1.1949705229286127
Energy: 1.2118489265579242
Energy: 1.209608314848919
Energy: 1.147267708057266
Energy: 1.219271288950476
Energy: 1.188723038320376
Energy: 1.1799321942931864
Energy: 1.1757594919808307
Energy: 1.1665393420239345
Energy: 1.1815210074458662
Energy: 1.1750588385055611
Energy: 1.1643519180165733
Energy: 1.2258860128203959
Energy: 1.2160013068342654
Energy: 1.1676765304447312
Energy: 1.2092585352156988
Energy: 1.227887482763282
Energy: 1.155119582543392
Energy: 1.1791235002095457
Energy: 1.1780527821710247
Energy: 1.15574821863812
Energy: 1.1747409953707
Energy: 1.177169953890321
Energy: 1.152511427091186
Energy: 1.1635252583182485
Energy: 1.1766678223362856
Energy: 1.1526650507211076
Energy: 1.1565672488061105
Energy: 1.1787267093196856
Energy: 1.1663973621064279
Energy: 1.1756203929889382
Energy: 1.176227520375237
Energy: 1.1732502356658143
Energy: 1.1673855877471566
Energy: 1.1867721784525138
Energy: 1.1472275431802277
Energy: 1.241608463775564
Energy: 1.1569032825953662
Energy: 1.148583439987406
Energy: 1.1494339077659
Energy: 1.2096987650942248
Energy: 1.1537339711516854
Energy: 1.1763594901724923
Energy: 1.1755637997273967
Energy: 1.153601612699934
Energy: 1.1508312902999698
Energy: 1.1749909083281045
Energy: 1.2108569403073925
Energy: 1.116915226850742
Energy: 1.1740347220634382
Energy: 1.2109008462948854
Energy: 1.1218492438369991
Energy: 1.1813806710972354
Energy: 1.159928136531917
Energy: 1.1763866492894177
Energy: 1.177988193942997
Energy: 1.1618984773038439
Energy: 1.1503907681001886
Energy: 1.1753900484975102
Energy: 1.1778195469627057
Energy: 1.1614929177568556
Energy: 1.1746205650157506
Energy: 1.1431176884818537
Energy: 1.1612270150418391
Energy: 1.1750193216767852
Energy: 1.1898418275185867
Energy: 1.1842445358201907
Energy: 1.1786286158880734
Energy: 1.2101452730293714
Energy: 1.1830099478544378
Energy: 1.174747862203831
Energy: 1.1589717087540794
Energy: 1.1505656961330184
Energy: 1.2033988898799928
Energy: 1.1592732082791368
Energy: 1.1522361824703506
Energy: 1.2102076872019139
Energy: 1.1980900969279427
Energy: 1.1597955945515874
Energy: 1.1764499670836324
Energy: 1.2088336320039237
Energy: 1.1466067921432166
Energy: 1.175501281281421
Energy: 1.1889831997776144
Energy: 1.1735149951436108
Energy: 1.1542754511664988
Energy: 1.1187724893349331
Energy: 1.1719336420630002
Energy: 1.1721742273974398
Energy: 1.177407094313757
Energy: 1.1941426823917376
Energy: 1.181958769272542
Energy: 1.1576396726327471
Energy: 1.2001175543843776
Energy: 1.1757943977854257
Energy: 1.1990637686248795
Energy: 1.1760563628126806
Energy: 1.1751511978853617
Energy: 1.1994631722691225
Energy: 1.1554155685044247
Energy: 1.175286014446975
Energy: 1.1912535054928868
Energy: 1.174926431886371
Energy: 1.1751573761444252
Energy: 1.1932996990883795
Energy: 1.15632734742759
Energy: 1.1816133842472742
Energy: 1.16726560489501
Energy: 1.1836978664881501
Energy: 1.1824374294080968
Energy: 1.1684762311026302
Energy: 1.1961299636577087
Energy: 1.2353996244263932
Energy: 1.1842291690268372
Energy: 1.1835592190942463
Energy: 1.176735202085368
Energy: 1.1862610288109494
Energy: 1.2250691076424736
Energy: 1.1758291945280888
Energy: 1.1529932776726026
Energy: 1.1720716363220953
Energy: 1.172384876326379
Energy: 1.1533571153729694
Energy: 1.1552582681059804
Energy: 1.172802281374418
Energy: 1.1645242808607903
Energy: 1.17360733817908
Energy: 1.172366871639356
Energy: 1.1644793126495894
Energy: 1.173012814803591
Energy: 1.1724364193317522
Energy: 1.1725765351857935
Energy: 1.1798862612345828
Energy: 1.1797764879399306
Energy: 1.174608585933202
Energy: 1.216751460676599
Energy: 1.1779174617650092
Energy: 1.1479445465388722
Energy: 1.176456551122491
Energy: 1.1799313393231012
Energy: 1.1438474525673814
Energy: 1.1643884061251402
Energy: 1.1795512281971132
Energy: 1.2163505160921293
Energy: 1.1728300953022854
Energy: 1.172927320374385
Energy: 1.2160837105268971
Energy: 1.1347963290545398
Energy: 1.181644647214521
Energy: 1.159643056518929
Energy: 1.1728797134666078
Energy: 1.1729060360449297
Energy: 1.1596431275657009
Energy: 1.150555545737067
Energy: 1.1739318873594924
Energy: 1.1714548580607695
Energy: 1.1679443153764382
Energy: 1.1742740600610515
Energy: 1.1407311083651221
Energy: 1.1592543192808256
Energy: 1.1739829843645224
Energy: 1.1766437777287442
Energy: 1.1833923463252787
Energy: 1.1745010179251902
Energy: 1.1413457727024383
Energy: 1.1827829815553224
Energy: 1.1740157002315101
Energy: 1.1595393375137186
Energy: 1.1777747447359423
Energy: 1.184338922050123
Energy: 1.159876199037672
Energy: 1.14618107697592
Energy: 1.1772550049130348
Energy: 1.2022442751045979
Energy: 1.1924519147393495
Energy: 1.1772868379970711
Energy: 1.2248908949666835
Energy: 1.1463948646592859
Energy: 1.1775146343976204
Energy: 1.2237402859810433
Energy: 1.172578506636183
Energy: 1.1704541348435078
Energy: 1.1136708797222703
Energy: 1.1639258167336042
Energy: 1.1707373861958266

minimum gb energy = 1.1136708797222703 eV
minimum distance =  2.30041191240665 Angstroms
sigma value = 33


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

Energy: 0.0204660303326917
Energy: 0.8473262223153339
Energy: 0.02140185991233272
Energy: 0.023103374118668134
Energy: 0.8441774670713863
Energy: 0.02109396356205569
Energy: 0.5763483826133231
Energy: 0.13004543124646228
Energy: 0.1275671830017983
Energy: 0.12760305811496103
Energy: 0.1274786860753365
Energy: 0.1271398064794105
Energy: 1.2846352711100293
Energy: 0.8425595266149906
Energy: 0.8424400525805915
Energy: 0.8404267077506794
Energy: 0.8451116440304509
Energy: 0.8416516806328572
Energy: 0.021414925284258198
Energy: 0.1300454312469297
Energy: 0.12756718300133094
Energy: 0.12760305811496103
Energy: 0.1274786860762194
Energy: 0.127139806478995

minimum gb energy = 0.0204660303326917 eV
minimum distance =  2.45898310144955 Angstroms
sigma value = 1