Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8900000602006912
cohesive_energy=3.8903059725131426
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.464560876375838e-19, 2.1023761791347998e-19, 2.61484839728604e-19, 3.0524028360314396e-19, 3.43665285816366e-19, 3.7793103748772395e-19, 4.0875691592588397e-19, 4.36621971944412e-19, 4.618706735196179e-19, 4.8475456238304e-19, 5.05473910613928e-19, 5.24180924992512e-19, 5.41002177472878e-19, 5.56045013889504e-19, 5.69395951780626e-19, 5.81130293448042e-19, 5.913121259571119e-19, 6.000023320199279e-19, 6.07247374758876e-19, 6.130937172963419e-19, 6.175830162248099e-19, 6.207489172535939e-19, 6.22626668268642e-19, 6.23246710626e-19, 6.2256738773318395e-19, 6.20341964388558e-19, 6.1624359655878595e-19, 6.09874944438636e-19, 6.00748946331372e-19, 5.882695925291459e-19, 5.71699881780318e-19, 5.50121766873606e-19, 5.22394498045602e-19, 4.87072911972438e-19, 4.421158356223979e-19, 3.83266285678944e-19, 3.0412196431261195e-19, 1.97376946072362e-19, 5.430273287382539e-20, -1.3753532835713518e-19, -3.9941141961976194e-19, -7.68536894327022e-19, -1.2946820878728179e-18, -2.04884745779286e-18, -3.1351392374112e-18, -4.690820705492519e-18, -6.9108607366282794e-18, -1.005931406186802e-17, -1.44783895884678e-17, -2.04871928366214e-17, -2.8018063887075e-17, -3.9319016774994e-17, -5.71614966418716e-17, -8.78274778519584e-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: 0.015870599482242027
Energy: 0.41051342353886516
Energy: 0.4124899182289495
Energy: 1.062217768944628
Energy: 0.9797218325698818
Energy: 0.34244334059963494
Energy: 0.01721427471475058
Energy: 0.0926166075562262
Energy: 0.7684966754038992
Energy: 0.2797328199171517
Energy: 0.4109710820724083
Energy: 0.646584502387364
Energy: 0.016680277488231917
Energy: 0.09358938048532411
Energy: 0.01645908125352282
Energy: 0.7706285855380964
Energy: 0.6187991874967244
Energy: 0.4105080987183374
Energy: 0.4141886976646581
Energy: 0.09221631079762935
Energy: 0.09354125117982381
Energy: 0.01848019192895816
Energy: 0.41070810860199425
Energy: 0.4119120310640544
Energy: 1.062056801224954
Energy: 0.9776302476345919
Energy: 0.09256612764351652
Energy: 0.01704853542677698
Energy: 0.09281195009283821
Energy: 0.973390300857898
Energy: 0.2795267341803683
Energy: 0.41040043700357126
Energy: 0.6455066365516495
Energy: 0.016658184544008296
Energy: 0.09313731573626206
Energy: 0.01632177340126155
Energy: 0.76648769061374
Energy: 0.41027374031659425
Energy: 0.41016223480488084
Energy: 0.8618835254484254
Energy: 0.09211127192676291
Energy: 0.0932077406591594

minimum gb energy = 0.015870599482242027 eV
minimum distance =  2.72640036781244 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.2179654415591459
Energy: 1.074545183226838
Energy: 1.2348493565110363
Energy: 1.4098357724468165
Energy: 1.1419822115364102
Energy: 1.1866575624768418
Energy: 1.3969731640057752
Energy: 1.0770061520239207
Energy: 1.1561591517560508
Energy: 1.0742806160970753
Energy: 1.0813641881898062
Energy: 1.0913648606337147
Energy: 1.0778052877103579
Energy: 1.2052156799616887
Energy: 1.0774956636518362
Energy: 1.1807853391154035
Energy: 1.2321461746092606
Energy: 1.1159681904009826
Energy: 1.201293449952457
Energy: 1.218537627875574
Energy: 1.107163583809465
Energy: 1.0936976478247304
Energy: 1.1814585064754972
Energy: 1.0961704630918836
Energy: 1.1788579532146135
Energy: 1.1499596680867625
Energy: 1.0787547231295942
Energy: 1.1806164167838296
Energy: 1.2492201702136467
Energy: 1.0901788187286654
Energy: 1.1431929798992362
Energy: 1.0948801762816116
Energy: 1.171734445458942
Energy: 1.1123571424033167
Energy: 1.1402781848098495
Energy: 1.1609815574296976
Energy: 1.147098378516048
Energy: 1.084670895617351
Energy: 1.0828180770194944
Energy: 1.096570520520318
Energy: 1.122930590969389
Energy: 1.079809430388611
Energy: 1.1709396611768224
Energy: 1.0805221784255266
Energy: 1.1933799656064796
Energy: 1.1196515737417885
Energy: 1.1251434810695446
Energy: 1.2030022422585094
Energy: 1.0898471043942881
Energy: 1.111015827345278
Energy: 1.1124231774316775
Energy: 1.1519031888078854
Energy: 1.149615529278532
Energy: 1.0754349985351301
Energy: 1.0823036069465715
Energy: 1.233982396490469
Energy: 1.095602688064666
Energy: 1.1333413405360513
Energy: 1.0720081244704687
Energy: 1.1171184105339202
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Energy: 1.0836664052058826
Energy: 1.075644432233725
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Energy: 1.1288290657138251
Energy: 1.0921357778626892
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Energy: 1.174613871749505
Energy: 1.1902164212663309
Energy: 1.0877032863494638
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Energy: 1.1758037095948755
Energy: 1.0904112512381416
Energy: 1.3188154346573076
Energy: 1.1034606252082688
Energy: 1.1082935917940588
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Energy: 1.1434658976966292
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Energy: 1.092065490520348
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Energy: 1.1823235258176445
Energy: 1.2367932715332268
Energy: 1.1131093642069056
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Energy: 1.1167570101487478
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Energy: 1.1477568538387584
Energy: 1.078045426957569
Energy: 1.1343211948685221
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Energy: 1.0788587853041514
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Energy: 1.0739177993427198
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Energy: 1.0830851808720787
Energy: 1.1548343507432588
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Energy: 1.162162322963453
Energy: 1.1851291642573505
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Energy: 1.1549158478018613
Energy: 1.0863569495491607
Energy: 1.0825654519593777
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Energy: 1.0871188744667677
Energy: 1.1577103995045503
Energy: 1.1937108171986754
Energy: 1.1341429905508578
Energy: 1.2065552925438128
Energy: 1.0777394152981734
Energy: 1.1895507640942513
Energy: 1.210966142199157
Energy: 1.1068512989268355
Energy: 1.0852213547552432
Energy: 1.1373593609942447
Energy: 1.0881462192801221
Energy: 1.1517942531930112
Energy: 1.1883958924107103
Energy: 1.0894861311920951
Energy: 1.145676089601827
Energy: 1.1209062301010444
Energy: 1.0911456014625305
Energy: 1.1433972427511594
Energy: 1.094708833269269
Energy: 1.0982963978025748
Energy: 1.1534625977022603
Energy: 1.1251368995399789
Energy: 1.1597220891823754
Energy: 1.1471646949345953
Energy: 1.1435965712442504
Energy: 1.0768666815743595
Energy: 1.0980135217510627
Energy: 1.0947355226395987
Energy: 1.1473752095419625
Energy: 1.1270406517721963
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Energy: 1.1889094600515444
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Energy: 1.1997558360959752
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Energy: 1.1223942890038374
Energy: 1.1893378818669231
Energy: 1.1496016055229914
Energy: 1.1507381031510449
Energy: 1.091420206683363
Energy: 1.1510771123258796
Energy: 1.138027974106162
Energy: 1.13006647195733
Energy: 1.1110623924393204
Energy: 1.0821117272053762
Energy: 1.1183167720258271
Energy: 1.2273826678142739
Energy: 1.1580554897959208
Energy: 1.153263906963893
Energy: 1.1714528758919134
Energy: 1.1015843286665952
Energy: 1.1409460716629134
Energy: 1.153295174650309
Energy: 1.148048824454461
Energy: 1.136620041915545
Energy: 1.1621904009531414
Energy: 1.1823245387441548
Energy: 1.0728536103438608
Energy: 1.0741079973562746
Energy: 1.1308886346602631
Energy: 1.0860917426482923
Energy: 1.1060032946681526
Energy: 1.16106141079488
Energy: 1.2860904038779781
Energy: 1.15529580098048
Energy: 1.1258815358440908
Energy: 1.1897482761487705
Energy: 1.0843721223626401
Energy: 1.0819117336209263
Energy: 1.1223339066673994
Energy: 1.0909761966110492
Energy: 1.120404581634083
Energy: 1.2343066392960476
Energy: 1.1462970074537884
Energy: 1.1989328089202005
Energy: 1.1573529284701622
Energy: 1.183468215074028
Energy: 1.2131404830198589
Energy: 1.1711509098485908
Energy: 1.0630165390222437
Energy: 1.2326265095515585
Energy: 1.0731002742142814
Energy: 1.0761739868837485
Energy: 1.1974601972437215
Energy: 1.0870084488236214
Energy: 1.1123160993372931
Energy: 1.2849917161222362
Energy: 1.1345171297543613
Energy: 1.1915644115841926
Energy: 1.16061818254389
Energy: 1.0919871021901144
Energy: 1.069417287457627
Energy: 1.1152323251168157
Energy: 1.1052884703947579
Energy: 1.1530725038524832
Energy: 1.0680114953204773
Energy: 1.1170924599746985
Energy: 1.0731899737435096
Energy: 1.1099263019776386
Energy: 1.0741030220356917
Energy: 1.0907450178142841
Energy: 1.135744113056446
Energy: 1.09450455090936
Energy: 1.2601504402338002
Energy: 1.1164156586739173
Energy: 1.1653751199726787
Energy: 1.136720364268229

minimum gb energy = 1.0630165390222437 eV
minimum distance =  2.50412062951047 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.145181659018587
Energy: 1.1125917043200817
Energy: 1.1880158537534773
Energy: 1.0869543274390736
Energy: 1.428503149349153
Energy: 1.1214187489237424
Energy: 1.1020673990797605
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Energy: 1.1105575398104277
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Energy: 1.1654436528728833
Energy: 1.105145336130227
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Energy: 1.0867357856370692
Energy: 1.1279788907484598
Energy: 1.0810912197982319
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Energy: 1.1472199057213617
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Energy: 1.1213634134397998
Energy: 1.0929639284806154
Energy: 1.0829680445827097
Energy: 1.1289642348338629
Energy: 1.2174910836158461
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Energy: 1.0986588396705432
Energy: 1.1218307575476218
Energy: 1.0825478948729894
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Energy: 1.1247659428033256
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Energy: 1.1175512985991949
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Energy: 1.1191662976251369
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Energy: 1.1359959871955527
Energy: 1.2164673471547718
Energy: 1.091201175156084
Energy: 1.1005830907305267
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Energy: 1.093448831115703
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Energy: 1.092412698095613
Energy: 1.1464926958114143
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Energy: 1.0882154228909502
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Energy: 1.086075403501494
Energy: 1.130662004664531
Energy: 1.204199915920594
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Energy: 1.0902925328279827
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Energy: 1.08563418132767
Energy: 1.0960697484174657
Energy: 1.16278913725017
Energy: 1.1021011800285871
Energy: 1.1452011165866154
Energy: 1.123093009185913
Energy: 1.089165656796355
Energy: 1.1502573701066987
Energy: 1.1671973327236878
Energy: 1.1475630471585412
Energy: 1.1008335848276014
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Energy: 1.161544052740782
Energy: 1.1470504969239912
Energy: 1.0829801338158669
Energy: 1.1569200616665087
Energy: 1.1313525473732362
Energy: 1.1494901953752337
Energy: 1.128335196562783
Energy: 1.2132605273510657
Energy: 1.1394854701830859
Energy: 1.216246200591787
Energy: 1.1477913623083191
Energy: 1.1198780011998928
Energy: 1.093639630891855
Energy: 1.1279313424317128
Energy: 1.0856604993936076
Energy: 1.121239816715811
Energy: 1.2592247845654128
Energy: 1.170296282793653
Energy: 1.1110644776597052
Energy: 1.1142192431485796
Energy: 1.0855740545311219
Energy: 1.087467194733996
Energy: 1.1348021008047997
Energy: 1.178032131696282
Energy: 1.1173325796891986
Energy: 1.0961286274201398
Energy: 1.099459176128545
Energy: 1.0880868521624216
Energy: 1.0809205523581378
Energy: 1.1579106699231285
Energy: 1.0895456150561416
Energy: 1.2067853087152958
Energy: 1.1169648503314598
Energy: 1.094239417972284
Energy: 1.0800238765011234
Energy: 1.0890263195772913
Energy: 1.2226944537489377
Energy: 1.089277640372463
Energy: 1.1222998574391463
Energy: 1.1336700735164424
Energy: 1.118853302209909
Energy: 1.1527473631354705
Energy: 1.1710618011668856
Energy: 1.0878181934951499
Energy: 1.1152624147624801
Energy: 1.179747171867719
Energy: 1.1478526050288893
Energy: 1.0918698390995571
Energy: 1.1295953440076534
Energy: 1.0945812327048998
Energy: 1.0860986637643082
Energy: 1.0858124089261756
Energy: 1.0937051214329954
Energy: 1.1365633228727823
Energy: 1.0890860010996049
Energy: 1.100248394642642
Energy: 1.1105951561651222
Energy: 1.103362575038631
Energy: 1.0856951081276625
Energy: 1.1560462973137882
Energy: 1.1397242486048256
Energy: 1.1163159145477906
Energy: 1.1552874637708774
Energy: 1.1232581043795367
Energy: 1.1010650141198526
Energy: 1.1072339118859038
Energy: 1.093849835890411
Energy: 1.1469525734794157
Energy: 1.098245849768519
Energy: 1.0885779465263719
Energy: 1.1590418929932482
Energy: 1.1416326315864198
Energy: 1.2719689098344604
Energy: 1.1807490988615825
Energy: 1.0895149663031636
Energy: 1.1409618106231674
Energy: 1.1352324215452008
Energy: 1.1024496029670763
Energy: 1.136172132144924
Energy: 1.1024545559503145
Energy: 1.2036998701490178
Energy: 1.12926096491979
Energy: 1.096089666529501
Energy: 1.1227990095590694
Energy: 1.130602103359712
Energy: 1.1277296069346858
Energy: 1.259638271109745
Energy: 1.1960782728174706
Energy: 1.1652119817884248
Energy: 1.1331576417690912
Energy: 1.0907032782022565
Energy: 1.0885081310020177
Energy: 1.0924687505931021
Energy: 1.097094202571646
Energy: 1.0981284106614333
Energy: 1.0975267461042093
Energy: 1.1053999167824125
Energy: 1.0861363685435743
Energy: 1.0875129723153774
Energy: 1.105209263226722
Energy: 1.0998960714263115
Energy: 1.1159362767324337
Energy: 1.0902192862164144
Energy: 1.1151434860227551
Energy: 1.0809741999007856
Energy: 1.0859945722026734
Energy: 1.1137239463212645
Energy: 1.1182308264275735
Energy: 1.139795619128102
Energy: 1.1245495729748358
Energy: 1.0875935332948452
Energy: 1.17201383059371
Energy: 1.190776741078999
Energy: 1.1585196553809607
Energy: 1.1079610158641684
Energy: 1.1443825202215865
Energy: 1.1490260105267776
Energy: 1.0988209911784013
Energy: 1.1637824779436545
Energy: 1.109296077912521
Energy: 1.104852103825022
Energy: 1.095007339733147
Energy: 1.1058285441542592
Energy: 1.1340239740129474
Energy: 1.0876297542405398
Energy: 1.0953862870354187
Energy: 1.0968275538882213
Energy: 1.103562306649471

minimum gb energy = 1.0800238765011234 eV
minimum distance =  2.49012036105494 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.1881451086867285
Energy: 1.11015684514638
Energy: 1.2142741348835753
Energy: 1.0991953304195365
Energy: 1.1155798375255632
Energy: 1.184704486951669
Energy: 1.106458212433165
Energy: 1.1465019786315254
Energy: 1.128321390262426
Energy: 1.1217225626729224
Energy: 1.1346419880001033
Energy: 1.1299660345471245
Energy: 1.1365729608348383
Energy: 1.2023913725689535
Energy: 1.1174546650036425
Energy: 1.1223222810506748
Energy: 1.146236005114552
Energy: 1.1030149317626905
Energy: 1.1256182382126039
Energy: 1.1062663103935948
Energy: 1.117674693841656
Energy: 1.0995759199660722
Energy: 1.1066379008934562
Energy: 1.1231199308956543
Energy: 1.2529761057763467
Energy: 1.155725434192601
Energy: 1.1036023471970533
Energy: 1.1673164296988008
Energy: 1.1632171769981325
Energy: 1.1433020007483534
Energy: 1.1113176065811101
Energy: 1.2483487668980593
Energy: 1.1755590514446828
Energy: 1.25340362596076
Energy: 1.1581901288250047
Energy: 1.1115569471924946
Energy: 1.108694750701263
Energy: 1.1133200030137087
Energy: 1.1062491285267713
Energy: 1.1390501296395963
Energy: 1.0947101003153596
Energy: 1.149139730047936
Energy: 1.1540009311790895
Energy: 1.1295875043634034
Energy: 1.1934272107269974
Energy: 1.0953716753492393
Energy: 1.1383902323027708
Energy: 1.1071943876863841
Energy: 1.143738573799074
Energy: 1.1197834658246373
Energy: 1.1508659260657899
Energy: 1.1505750741873868
Energy: 1.1747551575666833
Energy: 1.1657743443511432
Energy: 1.1278819915128355
Energy: 1.1508181549446985
Energy: 1.1989430846463156
Energy: 1.104442616211446
Energy: 1.179973746427863
Energy: 1.102835427117962
Energy: 1.1626941358580916
Energy: 1.1013939786904912
Energy: 1.1127153816318132
Energy: 1.1239087259593001
Energy: 1.1930856130555147
Energy: 1.10849099109746
Energy: 1.2004858797905564
Energy: 1.1544266450377256
Energy: 1.0993412187317888
Energy: 1.1285757292314782
Energy: 1.127773657003163
Energy: 1.1138551803322363
Energy: 1.1858749972654847
Energy: 1.2568436442015443
Energy: 1.1522105787954424
Energy: 1.2350743351562652
Energy: 1.16176731199091
Energy: 1.0988517010421779
Energy: 1.182796469951856
Energy: 1.123841204961145
Energy: 1.1140150415393482
Energy: 1.1163298388402996
Energy: 1.1145394481210116
Energy: 1.133209023978198
Energy: 1.1554901604347338
Energy: 1.0900216192481011
Energy: 1.1828802847055893
Energy: 1.1172300052639057
Energy: 1.1448082155240888
Energy: 1.1210079060769729
Energy: 1.0721034473509252
Energy: 1.14346230676164
Energy: 1.157819688537052
Energy: 1.1411574710701973
Energy: 1.172189570054733
Energy: 1.242085189524509
Energy: 1.1769222992221426
Energy: 1.283284726272226
Energy: 1.1463130364698968
Energy: 1.1263705633839405
Energy: 1.1298282349023678
Energy: 1.10133114559805
Energy: 1.1494575557842208
Energy: 1.1012696015434607
Energy: 1.1317890618317303
Energy: 1.1026014304539549
Energy: 1.2070717627409977
Energy: 1.1058612025771157
Energy: 1.152507893060693
Energy: 1.133765021847018
Energy: 1.0928217805200746
Energy: 1.1449467865337941
Energy: 1.1743305803996331
Energy: 1.1576272886681642
Energy: 1.1803343883940975
Energy: 1.2292923520753345
Energy: 1.132787521283021
Energy: 1.1424178463836006
Energy: 1.1919034501792083
Energy: 1.1060073165399056
Energy: 1.233371248968765
Energy: 1.1628552937235557
Energy: 1.1071096142237542
Energy: 1.1116754310163988
Energy: 1.0855995733349824
Energy: 1.1444867178827596
Energy: 1.1404310371405606
Energy: 1.1084337205900077
Energy: 1.1292472717889792
Energy: 1.1025036870721436
Energy: 1.1269900328057785
Energy: 1.1236450216915528
Energy: 1.1225879505080283
Energy: 1.178629184918816
Energy: 1.1384432297963778
Energy: 1.1692468795703983
Energy: 1.1719696071413424
Energy: 1.204325309009666
Energy: 1.2016894064481076
Energy: 1.2408207206525999
Energy: 1.1296757119598444
Energy: 1.1337334785976743
Energy: 1.1483637670973696
Energy: 1.090081471209473
Energy: 1.139807140145749
Energy: 1.1079555641282635
Energy: 1.1411987485138633
Energy: 1.0977305748136463
Energy: 1.1961939842581775
Energy: 1.1204307868572576
Energy: 1.0910188268873502
Energy: 1.1359487756224653
Energy: 1.1324943416081823
Energy: 1.1319237537334954
Energy: 1.146337008386254
Energy: 1.1551833122852093
Energy: 1.127244176465094
Energy: 1.221835881233662
Energy: 1.1944429931622604
Energy: 1.2245546933927138
Energy: 1.1247445348512106
Energy: 1.132522088439637
Energy: 1.2001520665698855
Energy: 1.1365542788041774
Energy: 1.1561409633730098
Energy: 1.1251784734322656
Energy: 1.0751761519784226
Energy: 1.125091340887218
Energy: 1.2084658006689126
Energy: 1.1129024393946159
Energy: 1.11773597428384
Energy: 1.1126787465207781
Energy: 1.1444111161785848
Energy: 1.085161019062547
Energy: 1.108014666008315
Energy: 1.1831036077012882
Energy: 1.1517071309379343
Energy: 1.1527531715620745
Energy: 1.1781048623379111
Energy: 1.267168913658112
Energy: 1.170452007886697
Energy: 1.1908724755742146
Energy: 1.180685420396392
Energy: 1.0942656262627732
Energy: 1.1409563416664543
Energy: 1.115844674800045
Energy: 1.1554899336253581
Energy: 1.1167207875246852
Energy: 1.0981014189240887
Energy: 1.108266199481094
Energy: 1.1984148658538378
Energy: 1.1473859782859095
Energy: 1.0951810832847277
Energy: 1.1153774898446003
Energy: 1.0756982522162397
Energy: 1.1245103446406686
Energy: 1.1557245674307985
Energy: 1.1076030531358152
Energy: 1.174412547719575
Energy: 1.2348145337058174
Energy: 1.1481725903231406
Energy: 1.1432410797848567
Energy: 1.176154446263964
Energy: 1.1550883686929203
Energy: 1.1793685455439231
Energy: 1.129084000834551
Energy: 1.2215597906779705
Energy: 1.1349894344496554
Energy: 1.0813945147918005
Energy: 1.1842853106409934
Energy: 1.1788505359810362
Energy: 1.109304279562726
Energy: 1.1799677010480771
Energy: 1.1180808639884663
Energy: 1.1894795785487262
Energy: 1.113147144076625
Energy: 1.1241468842538922
Energy: 1.1434213499900503
Energy: 1.1248952869429358
Energy: 1.1125531084944602
Energy: 1.217909581368503
Energy: 1.2482599502353706
Energy: 1.1404788035429838
Energy: 1.1152003847643794
Energy: 1.1460490102199632
Energy: 1.1236196482182539
Energy: 1.1080525070820466
Energy: 1.0906361332828045
Energy: 1.1505647239068089
Energy: 1.092438547636939
Energy: 1.1689932282366668
Energy: 1.1058639866572801
Energy: 1.1444973872516235
Energy: 1.117664017382467
Energy: 1.0940858575741716
Energy: 1.130746063042578
Energy: 1.1294077285872464
Energy: 1.1225553520971152
Energy: 1.1520086970288999
Energy: 1.149180503826578
Energy: 1.1639483480007988
Energy: 1.2952872545769714
Energy: 1.1219259108063202
Energy: 1.120443457650245
Energy: 1.1672231584653003
Energy: 1.095150354705093
Energy: 1.1055852411589822
Energy: 1.1802748266369023
Energy: 1.1940879426041242
Energy: 1.1573949997235422
Energy: 1.0808435727172272
Energy: 1.161748916932981

minimum gb energy = 1.0721034473509252 eV
minimum distance =  2.51941776765089 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.038243831292324
Energy: 1.0837033699191359
Energy: 1.409259017706169
Energy: 1.2807329700450203
Energy: 1.1554583507232994
Energy: 1.1805168534667698
Energy: 1.0188291950632977
Energy: 1.1055324018832466
Energy: 1.1337109011688558
Energy: 1.177932342016148
Energy: 1.1392950750107707
Energy: 1.084866844504856
Energy: 1.1071455163781267
Energy: 1.1221121815176867
Energy: 1.1076915304739794
Energy: 1.0771025201764635
Energy: 1.1017501406991652
Energy: 1.1299464485194752
Energy: 1.0854055951465207
Energy: 1.1118613814287555
Energy: 1.1121680602547774
Energy: 1.0951132885866806
Energy: 1.0968117610823418
Energy: 1.0909108731081036
Energy: 1.0971294170039891
Energy: 1.129349999965856
Energy: 1.1074439163224774
Energy: 1.184743696829997
Energy: 1.1116133929738643
Energy: 1.0823266044682498
Energy: 1.12997089845337
Energy: 1.104232875458885
Energy: 1.1770567150074458
Energy: 1.1076392514449016
Energy: 1.1114844058091709
Energy: 1.01911402108079
Energy: 1.0842026941498168
Energy: 1.1012932997510245
Energy: 1.0950247558465644
Energy: 1.1350897407697749
Energy: 1.109009884068494
Energy: 1.1207090141286493
Energy: 1.095195210857251
Energy: 1.1256122880666373
Energy: 1.0949447724691366
Energy: 1.1409439213681087
Energy: 1.022112614785616
Energy: 1.0222136208317134
Energy: 1.1056134937502853
Energy: 1.0200991178412109
Energy: 1.1373106193021334
Energy: 1.210692081485857
Energy: 1.0761165960492682
Energy: 1.200128763845093
Energy: 1.1045000119175974
Energy: 1.1220285561559502
Energy: 1.0201280621093294
Energy: 1.1373421322642385
Energy: 1.1456412672626715
Energy: 1.0767707642707711
Energy: 1.0814605586144181
Energy: 1.1199580866691523
Energy: 1.1208885365016197
Energy: 1.0956439429330174
Energy: 1.1272702919845137
Energy: 1.1085912558405568
Energy: 1.1287303748909994
Energy: 1.0814975575366712
Energy: 1.1092739199306032
Energy: 1.1099508025423317
Energy: 1.0964371641967294
Energy: 1.0768315941850202
Energy: 1.0920530582431198
Energy: 1.0734390187415637
Energy: 1.0814027450790527
Energy: 1.1128020231670428
Energy: 1.1853248169621915
Energy: 1.1288415026218293
Energy: 1.0817894878751624
Energy: 1.0732674360274408
Energy: 1.0757999569399566
Energy: 1.1394669764728875
Energy: 1.1064473526473213
Energy: 1.1201896731806835
Energy: 1.0185898514228724
Energy: 1.08418786727094
Energy: 1.2025330012287625
Energy: 1.107359334928276
Energy: 1.187540593219684
Energy: 1.1019089821186532
Energy: 1.109382085419845
Energy: 1.094618048298647
Energy: 1.0743896037741056
Energy: 1.1025593734751855
Energy: 1.132461236002732
Energy: 1.0198598585157195
Energy: 1.0198645995934064
Energy: 1.1074796777241966
Energy: 1.0220639692431341
Energy: 1.124384776172563
Energy: 1.0950806815997642
Energy: 1.1837357891078777
Energy: 1.0193388738342726
Energy: 1.0198395943508067
Energy: 1.1232561406035562
Energy: 1.0187356874828326
Energy: 1.0851190300997131
Energy: 1.380782735182953
Energy: 1.104216786907988
Energy: 1.15542625869079
Energy: 1.1803788600368263
Energy: 1.0194465458120707
Energy: 1.1049347589524137
Energy: 1.133263024335036
Energy: 1.1781189647118757
Energy: 1.1394093920179862
Energy: 1.084680127531986
Energy: 1.106998060870088
Energy: 1.1221313308256389
Energy: 1.1075535659836278
Energy: 1.076137685610624
Energy: 1.1015788353924767
Energy: 1.1297796298393845
Energy: 1.0848982482257956
Energy: 1.1119255157283483
Energy: 1.1123409219571494
Energy: 1.0946927708356309
Energy: 1.0962251465067006
Energy: 1.0910389683856758
Energy: 1.0970666060275032
Energy: 1.143440210698475
Energy: 1.1067215867306313
Energy: 1.2844012746511182
Energy: 1.112712596123706
Energy: 1.0829171892672254
Energy: 1.1304043473325824
Energy: 1.1043329449599704
Energy: 1.176570703710258
Energy: 1.108619409553718
Energy: 1.110861383984136
Energy: 1.0188013980952446
Energy: 1.0843333318995194
Energy: 1.101452222536951
Energy: 1.0949387333508913
Energy: 1.1355295387817403
Energy: 1.018637939612469
Energy: 1.1202389632219087
Energy: 1.095116434488987
Energy: 1.1265644576155045
Energy: 1.0953069913842375
Energy: 1.141219954842325
Energy: 1.0217720141368825
Energy: 1.0221150142827924
Energy: 1.1057355611240203
Energy: 1.0196986393010472
Energy: 1.137109363897525
Energy: 1.1965697677410545
Energy: 1.0767158169503603
Energy: 1.2002272928620348
Energy: 1.1045647222153614
Energy: 1.111029824190067
Energy: 1.020255126162813
Energy: 1.1365264872936345
Energy: 1.1460372569837642
Energy: 1.0771245439053279
Energy: 1.081541236694577
Energy: 1.1003892128810588
Energy: 1.1206074930480185
Energy: 1.095846805453719
Energy: 1.129356929403902
Energy: 1.108561645476682
Energy: 1.1286603193951381
Energy: 1.0815713426038975
Energy: 1.1083997010868394
Energy: 1.1098093313601494
Energy: 1.0961365408793586
Energy: 1.0766835464265925
Energy: 1.0920682546059284
Energy: 1.073918229774646
Energy: 1.0813633184503484
Energy: 1.1018471311634759
Energy: 1.1894699860749538
Energy: 1.1290181073311987
Energy: 1.0830134745792237
Energy: 1.0733390569005787
Energy: 1.0754901549330909
Energy: 1.1397564266739941
Energy: 1.1070707488988145
Energy: 1.119977020059501
Energy: 1.0189324907760262
Energy: 1.0818144548478006
Energy: 1.2028554143532704
Energy: 1.102893513968415
Energy: 1.1863715797759782
Energy: 1.1016564756608926
Energy: 1.1092005103097153
Energy: 1.096658022444298
Energy: 1.0744327671565743
Energy: 1.10219932138907
Energy: 1.1324633505518629
Energy: 1.0204050772717415
Energy: 1.0208236378607765
Energy: 1.1074365558506023
Energy: 1.018598158833063
Energy: 1.1247785611080092
Energy: 1.0949231317141457
Energy: 1.082097775941102
Energy: 1.019310529282785
Energy: 1.0190301910207613
Energy: 1.122457593270171

minimum gb energy = 1.0185898514228724 eV
minimum distance =  2.49958249264111 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.3264527449201609
Energy: 1.21015321332653
Energy: 1.088326238750966
Energy: 1.440193833010106
Energy: 1.0764698939517428
Energy: 1.0353875984062513
Energy: 1.3004108028232204
Energy: 1.0783615846672612
Energy: 1.0311425451400873
Energy: 1.2251250220216474
Energy: 1.0545980684531469
Energy: 1.0286163790190652
Energy: 1.334684776515464
Energy: 1.1101961927665374
Energy: 1.2468192702288527
Energy: 1.09689924879916
Energy: 1.1115545638683322
Energy: 1.0932218402891034
Energy: 1.348791333794043
Energy: 1.0995942505393015
Energy: 1.2336718841632324
Energy: 1.334129856991399
Energy: 1.0632109589845997
Energy: 1.1300308139851145
Energy: 1.1359417076011888
Energy: 1.0554753310831952
Energy: 1.0770735740475208
Energy: 1.1041351365442234
Energy: 1.0612634134599679
Energy: 1.030698586802548
Energy: 1.106106513349144
Energy: 1.030683476873055
Energy: 1.029584158642353
Energy: 1.1015818075866426
Energy: 1.1124356558241908
Energy: 1.0330946745191856
Energy: 1.0399605630154722
Energy: 1.1071368233149814
Energy: 1.0739147392610695
Energy: 1.075650144041598
Energy: 1.0972269717423215
Energy: 1.1051747424332778
Energy: 1.0791494313081036
Energy: 1.0728832918448021
Energy: 1.0796315408436719
Energy: 1.0785376979132448
Energy: 1.036205279236117
Energy: 1.0337577933982887
Energy: 1.1245565196544003
Energy: 1.1364039525348022
Energy: 1.0311710268661751
Energy: 1.1122312168820396
Energy: 1.1323490482162295
Energy: 1.0288170613161172
Energy: 1.063828758890619
Energy: 1.1110103822695472
Energy: 1.0792542790221222
Energy: 1.0309887973489895
Energy: 1.1036837613633106
Energy: 1.0847725309248322
Energy: 1.087135175587245
Energy: 1.1032382160475336
Energy: 1.1235618373584888
Energy: 1.2078769395364668
Energy: 1.3250176482431013
Energy: 1.1174660775117478
Energy: 1.0826111183949474
Energy: 1.0680613993911365
Energy: 1.0357260862508146
Energy: 1.2092783134432814
Energy: 1.1369236780304939
Energy: 1.106395780394934
Energy: 1.0961435141948987
Energy: 1.1952360448702184
Energy: 1.0974996605129377
Energy: 1.0380732521709481
Energy: 1.0992794723433714
Energy: 1.0353550743947368
Energy: 1.0308011679706657
Energy: 1.2303890980139214
Energy: 1.0697362853611951
Energy: 1.3012110376281627
Energy: 1.300771883520942
Energy: 1.2517793075131594
Energy: 1.299506046973418
Energy: 1.2149316185479835
Energy: 1.1211297748098616
Energy: 1.1184372097653519
Energy: 1.0043490975348528
Energy: 1.0767884698552885
Energy: 1.0367261682608995
Energy: 1.0324599140095354
Energy: 1.0884930522720535
Energy: 1.1327963048161092
Energy: 1.1361585418927655
Energy: 1.141048682627096
Energy: 1.2225259539572768
Energy: 1.0953871839852514
Energy: 1.1506618433814524
Energy: 1.0292994560427529
Energy: 1.117990455031929
Energy: 1.1089814197226644
Energy: 1.3449586720273603
Energy: 1.3257484741284813
Energy: 1.2481158283434457
Energy: 1.334967430883874
Energy: 1.0301409770542165
Energy: 1.1487565593339102
Energy: 1.105901386640535
Energy: 1.0041878003555647
Energy: 1.1238611097607307
Energy: 1.1141862447063775
Energy: 1.0611210603918064
Energy: 1.1113816477552056
Energy: 1.1073196885436238
Energy: 1.057889379786462
Energy: 1.076044818441967
Energy: 1.0881219524274899
Energy: 1.112881734458308
Energy: 1.0339065093672921
Energy: 1.096070612341605
Energy: 1.0288533873786998
Energy: 1.0636930060729446
Energy: 1.0321262237098896
Energy: 1.1050221697319762
Energy: 1.087754570735955
Energy: 1.0349670732889646
Energy: 1.0731773389677004
Energy: 1.1684670401823902
Energy: 1.1761967383175904
Energy: 1.0881725087142347
Energy: 1.0335231191435394
Energy: 1.1129213738125654
Energy: 1.071570118275324
Energy: 1.0319041322113995
Energy: 1.1485382454521769
Energy: 1.109602463172275
Energy: 1.029382697855179
Energy: 1.0615603498239377
Energy: 1.1144512664518353
Energy: 1.0356325343952664
Energy: 1.0577990791753582
Energy: 1.0954685252964649
Energy: 1.2618542269187667
Energy: 1.081087927006833
Energy: 1.103417573539736
Energy: 1.1239603242627791
Energy: 1.2047310304479508
Energy: 1.0803303168625846
Energy: 1.1174338148542968
Energy: 1.1262129040189683
Energy: 1.0052656436183987
Energy: 1.0891532305547353
Energy: 1.1141915937651456
Energy: 1.2194995131395177
Energy: 1.0322042586144884
Energy: 1.1087309463084463
Energy: 1.1383619891404662
Energy: 1.0044584530043692
Energy: 1.1463759730862002
Energy: 1.1180220065861364
Energy: 1.150456267782343
Energy: 1.071945788320151
Energy: 1.0540191092620277
Energy: 1.1083204835032379
Energy: 1.2997806669679417
Energy: 1.3084973497519878
Energy: 1.255272087513981
Energy: 1.0327006492970834
Energy: 1.0915686443507593
Energy: 1.2453503949020728
Energy: 1.1367182520074672
Energy: 1.0964298121978182
Energy: 1.1353193383498874
Energy: 1.1101940581187433

minimum gb energy = 1.0041878003555647 eV
minimum distance =  2.51734513738372 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.2901239352530005
Energy: 1.449503507196256
Energy: 1.4033970022328623
Energy: 1.167246388468301
Energy: 1.374037331382146
Energy: 1.2906019873990886
Energy: 1.2431820210005662
Energy: 1.0460845842616864
Energy: 1.396077311595021
Energy: 1.3877697243682974
Energy: 1.0932752484377901
Energy: 1.2439169548396711
Energy: 1.0564102765529522
Energy: 1.2021312958901764
Energy: 1.3062353397313644
Energy: 1.1935408399215566
Energy: 1.206341786929378
Energy: 1.2800982458997896
Energy: 1.3915401080754737
Energy: 1.0699338763615105
Energy: 1.2530057529971315
Energy: 1.2478778528649654
Energy: 1.2843859818706749
Energy: 1.2910416484673635
Energy: 1.3359300233714095
Energy: 1.3135009825303368
Energy: 1.2871578451723857
Energy: 1.4063988946505053
Energy: 1.0412282643567905
Energy: 1.2801127645199626
Energy: 1.2332561554210124
Energy: 1.2510837522239027
Energy: 1.232392602111888
Energy: 1.1729447629480272
Energy: 1.3281351135689072
Energy: 1.1486373348696657
Energy: 1.144942943835812
Energy: 1.1751592368817332
Energy: 1.222340705705752
Energy: 1.1625973310497026
Energy: 1.2056150989709582
Energy: 1.1555474277694433
Energy: 1.1882581573646542
Energy: 1.219449464250089
Energy: 1.1600192170530126
Energy: 1.1512920314547785
Energy: 1.2500694059798132
Energy: 1.2363579299968055
Energy: 1.1839687134519303
Energy: 1.1741192431117589
Energy: 1.1846403074303915
Energy: 1.0971142485714
Energy: 1.1536831084891315
Energy: 1.150649259459075
Energy: 1.216915815537431
Energy: 1.1167909540239582
Energy: 1.048989732252842
Energy: 1.1624594808966235
Energy: 1.1606786465056333
Energy: 1.0665570560642557
Energy: 1.143067766963213
Energy: 1.2119677058849863
Energy: 1.2007583745441288
Energy: 1.2618919482952284
Energy: 1.1037080101510235
Energy: 1.1526279853890584
Energy: 1.1429601152698465
Energy: 1.1342016989194308
Energy: 1.1297333904321532
Energy: 1.094036291638476
Energy: 1.148019929080844
Energy: 1.1082224579134379
Energy: 1.0565120867000233
Energy: 1.067967420562964
Energy: 1.1754479283434556
Energy: 1.238255105659962
Energy: 1.2779414684836023
Energy: 1.0572226689747817
Energy: 1.1085259600019073
Energy: 1.2119670826768827
Energy: 1.2447105385382689
Energy: 1.18337502725826
Energy: 1.2612803327016964
Energy: 1.162449456807683
Energy: 1.1561366987711656
Energy: 1.1223295994318954
Energy: 1.155052278833643
Energy: 1.1108054060184145
Energy: 1.149098746450018
Energy: 1.1614319805895905
Energy: 1.0951656622204324
Energy: 1.214018914284773
Energy: 1.1099131917842444
Energy: 1.1374044358470252
Energy: 1.1941014154503224
Energy: 1.0992988924000326
Energy: 1.1638151766948857
Energy: 1.2150867420265645
Energy: 1.0957698529772062
Energy: 1.2086509891057442
Energy: 1.1599778861876817
Energy: 1.1408874575027086
Energy: 1.0957395728074721
Energy: 1.1698027209817716
Energy: 1.1984294614563993
Energy: 1.0374689761850069
Energy: 1.2511917257033498
Energy: 1.2606343133221365
Energy: 1.2398263829666694
Energy: 1.1630839929496726
Energy: 1.1200056489102759
Energy: 1.3083462933223018
Energy: 1.186472655344743
Energy: 1.226626550724803
Energy: 1.231562406523155
Energy: 1.2745063525624227
Energy: 1.2711415734385323
Energy: 1.288895389877159
Energy: 1.2258220058062432
Energy: 1.1632614491834348
Energy: 1.2670745726697037
Energy: 1.244484535096114
Energy: 1.3194563173581584
Energy: 1.2650903022992055
Energy: 1.0733249828834255
Energy: 1.340030039268749
Energy: 1.2010917266469512
Energy: 1.2895329215103566
Energy: 1.2157752429123778
Energy: 1.2335942247910057
Energy: 1.278788646907001
Energy: 1.1716686520000332
Energy: 1.2324617562135465
Energy: 1.29264335876829
Energy: 1.278938552205185
Energy: 1.3179561898878622
Energy: 1.0655381841329101
Energy: 1.3297670946268871
Energy: 1.289562828716661
Energy: 1.1661060199746454
Energy: 1.350748792604093
Energy: 1.2741827962698424
Energy: 1.145305937165283
Energy: 1.2582789250806505
Energy: 1.1700755957848525
Energy: 1.0474068868633146
Energy: 1.20385939713643
Energy: 1.0488045775933943
Energy: 1.3951415787954864
Energy: 1.286620767194036
Energy: 1.2120231218169804
Energy: 1.1772159243806652
Energy: 1.0475130052573685
Energy: 1.1437843068667306
Energy: 1.2873855786787956
Energy: 1.1883442535802617
Energy: 1.3940272155464284
Energy: 1.1686305232458325
Energy: 1.359698135804499
Energy: 1.286856178350533
Energy: 1.0328286232009356
Energy: 1.096987475144158
Energy: 1.39973971488188
Energy: 1.2212158529381751
Energy: 1.1617125994094055
Energy: 1.2469823977105312
Energy: 1.0585005950290411
Energy: 1.2092581106952038
Energy: 1.1678418019756605
Energy: 1.1983828114372777
Energy: 1.2078823928801725
Energy: 1.2811381686604502
Energy: 1.3193446168356184
Energy: 1.0692900497965427
Energy: 1.2060069135306253
Energy: 1.248258453748218
Energy: 1.229325377905146
Energy: 1.2883082838836608
Energy: 1.333965955308016
Energy: 1.3155888778633855
Energy: 1.2884145431804108
Energy: 1.325891987343748
Energy: 1.0666216355592952
Energy: 1.1049036157217969
Energy: 1.271385860904905
Energy: 1.2507045130165424
Energy: 1.1850396484398764
Energy: 1.1709722757284253
Energy: 1.3289645127299874
Energy: 1.14743180603592
Energy: 1.1456999533288719
Energy: 1.1751210397649912
Energy: 1.1369799969542234
Energy: 1.1875924227105255
Energy: 1.2084622295912257
Energy: 1.3328182131763944
Energy: 1.190462640501719
Energy: 1.2260074364889788
Energy: 1.1910141669675156
Energy: 1.149067281403982
Energy: 1.2082702310894653
Energy: 1.2366187789332517
Energy: 1.1379838337780646
Energy: 1.2164212461591066
Energy: 1.1844219615775862
Energy: 1.1544549661716752
Energy: 1.1215824466194242
Energy: 1.082837741440164
Energy: 1.1611071051109154
Energy: 1.1884576972289889
Energy: 1.034424185283231
Energy: 1.1646757477337926
Energy: 1.1610650325520153
Energy: 1.0637731467263984
Energy: 1.2185974669207384
Energy: 1.2099723870569947
Energy: 1.216029506552113
Energy: 1.0917176516439506
Energy: 1.10376598306124
Energy: 1.0927775096770345
Energy: 1.1465430066001998
Energy: 1.079742936569678
Energy: 1.0477601286072942
Energy: 1.1405124277870016
Energy: 1.2634614161754931
Energy: 1.0629456408768163
Energy: 1.0608679262890608
Energy: 1.172923021335413
Energy: 1.1069928108614888
Energy: 1.1045480655741973
Energy: 1.1881218925607473
Energy: 1.037447101394286
Energy: 1.0903637476664918
Energy: 1.2102342412337652
Energy: 1.1822601602054328
Energy: 1.2555015464004036
Energy: 1.2616472473833489
Energy: 1.1623798267140595
Energy: 1.2120812125789928
Energy: 1.1211131729464496
Energy: 1.1550348001923125
Energy: 1.1676249361190127
Energy: 1.1856376331027172
Energy: 1.1712798324093974
Energy: 1.0947371565560755
Energy: 1.2127610432634441
Energy: 1.1098978518337366
Energy: 1.1264763842157657
Energy: 1.1946840194583987
Energy: 1.095196597955241
Energy: 1.3012779730479545
Energy: 1.2283398841598259
Energy: 1.0963617295396708
Energy: 1.1901784415637606
Energy: 1.1592340726883907
Energy: 1.0635124664172713
Energy: 1.0966792446395246
Energy: 1.168887132423622
Energy: 1.2203727321767686
Energy: 1.0374111173750038
Energy: 1.105001861524364
Energy: 1.1421630883577785
Energy: 1.1998254184978383
Energy: 1.2336647373543521
Energy: 1.1653746892540973
Energy: 1.3052733933448935
Energy: 1.1857079139865185
Energy: 1.226176559321591
Energy: 1.2341174521943135
Energy: 1.2677040753684496
Energy: 1.2935816643731928
Energy: 1.221529956289086
Energy: 1.2629998339664945
Energy: 1.1648318118869363
Energy: 1.2482583953256212
Energy: 1.2459086644182793
Energy: 1.3190544583831434
Energy: 1.2907296026631216
Energy: 1.0713493919263337
Energy: 1.3254631454831507
Energy: 1.3706022366667294
Energy: 1.3188898353414895
Energy: 1.1528236726800218
Energy: 1.2321733916931845
Energy: 1.290743709976077
Energy: 1.2526144790147646
Energy: 1.277720641113532
Energy: 1.308004160643815
Energy: 1.2783117325254394
Energy: 1.315893461610613
Energy: 1.1937007378745552
Energy: 1.2330525596159474
Energy: 1.291963692286393
Energy: 1.1564517745246785
Energy: 1.351434342896682
Energy: 1.275123390569521
Energy: 1.1606676913361118
Energy: 1.1546049899707271
Energy: 1.1653262742712183
Energy: 1.0479628681265998
Energy: 1.2042539436384871
Energy: 1.0477782229852741
Energy: 1.393857316901947
Energy: 1.2824533482652762
Energy: 1.337890288882884
Energy: 1.1664252676264708
Energy: 1.0455510374510602
Energy: 1.2803796903495712
Energy: 1.0487046321221813
Energy: 1.190423883162657
Energy: 1.3964778730718646
Energy: 1.3332349029075512
Energy: 1.3577029653873018
Energy: 1.2848760316281405
Energy: 1.06916902168966

minimum gb energy = 1.0328286232009356 eV
minimum distance =  2.50919796165125 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.1649346875102986
Energy: 1.3915809696617887
Energy: 1.146852968966066
Energy: 1.1270015548135892
Energy: 1.1305273863484413
Energy: 1.141241114210133
Energy: 1.1193419413912487
Energy: 1.1135952329348549
Energy: 1.356519446140879
Energy: 1.0984805213103825
Energy: 1.086495372160477
Energy: 1.0859263285017156
Energy: 1.085178154641118
Energy: 1.358940318683391
Energy: 1.1094722452543677
Energy: 1.3924386782431681
Energy: 1.1022170669945879
Energy: 1.0905969665476976
Energy: 1.093132419892388
Energy: 1.1000394680547716
Energy: 1.1274170038662419
Energy: 1.109589833493865
Energy: 1.3787174371674709
Energy: 1.1025889235263233
Energy: 1.0897915879302038
Energy: 1.0916117717589784
Energy: 1.1000543637897535
Energy: 1.1239355762782959
Energy: 1.1551535512395197
Energy: 1.3572842186280758
Energy: 1.1161785001959381
Energy: 1.3677667918229217
Energy: 1.0912217864672669
Energy: 1.1154669087150746
Energy: 1.3571337854985879
Energy: 1.1119262488841373
Energy: 1.415519338753286
Energy: 1.1032163623742886
Energy: 1.1273793627011326
Energy: 1.1306758500943555
Energy: 1.099033266334862
Energy: 1.1199565367793156
Energy: 1.110036254456941
Energy: 1.3547564833746668
Energy: 1.1026030823341235
Energy: 1.085052629048399
Energy: 1.08530473271467
Energy: 1.1008243980721737
Energy: 1.3606155209094237
Energy: 1.1095302508078646
Energy: 1.3917378264790183
Energy: 1.1026675235112124
Energy: 1.0914607797006974
Energy: 1.094494071289708
Energy: 1.100837232675804
Energy: 1.3528052018038461
Energy: 1.1107296227946561
Energy: 1.4230356711522907
Energy: 1.102218730775729
Energy: 1.1287029321390425
Energy: 1.13127887103639
Energy: 1.099447193988748
Energy: 1.1212204357133875
Energy: 1.1553963110302257
Energy: 1.3543344513703708
Energy: 1.1160776252299076
Energy: 1.3635915566683146
Energy: 1.3634240976665117
Energy: 1.1187765732499162
Energy: 1.3563685964768313
Energy: 1.1102212659267603
Energy: 1.4242271214563116
Energy: 1.1023953266751285
Energy: 1.1295530715568478
Energy: 1.0907535233464223
Energy: 1.0994836120029434
Energy: 1.122188225427013
Energy: 1.1098776565827653
Energy: 1.390609181609689
Energy: 1.1028440203906174
Energy: 1.0908961902201046
Energy: 1.0937461881221635
Energy: 1.1013806428812343
Energy: 1.3563579504164067
Energy: 1.1111830556321163
Energy: 1.3578046959903378
Energy: 1.1030330815596823
Energy: 1.0877200152911664
Energy: 1.0843920504515667
Energy: 1.102115921893074
Energy: 1.3591892073834808
Energy: 1.1112755041986297
Energy: 1.4157967431507572
Energy: 1.101413343845371
Energy: 1.127204429968966
Energy: 1.1304473698987285
Energy: 1.0973922028820509
Energy: 1.119548651819781
Energy: 1.1552638026431383
Energy: 1.3468595974534743
Energy: 1.1150051707420494
Energy: 1.0884830580115548
Energy: 1.0899410060291628
Energy: 1.1024567451405736
Energy: 1.3558398447304854
Energy: 1.1089519171417757
Energy: 1.3786210752683974
Energy: 1.1023979914814563
Energy: 1.0897945473539357
Energy: 1.091744695498942
Energy: 1.100258771331422
Energy: 1.1250291246916222
Energy: 1.1087339675592256
Energy: 1.3733934297527182
Energy: 1.1020807817639928
Energy: 1.0906122718077156
Energy: 1.0920966735315758
Energy: 1.1001749018174278
Energy: 1.1257551137859594
Energy: 1.155912206363242
Energy: 1.3462244044477554
Energy: 1.1034274958963404
Energy: 1.0876250035337103
Energy: 1.0884457684541142
Energy: 1.0986391302032639
Energy: 1.3578147281207065
Energy: 1.1113398536728818
Energy: 1.41439282972123
Energy: 1.0890856394425987
Energy: 1.1270509165673261
Energy: 1.1305472021323715
Energy: 1.1417913016275982
Energy: 1.1194406036740605
Energy: 1.1105573996181213
Energy: 1.3468375852676497
Energy: 1.10546385486705
Energy: 1.0850244909466642
Energy: 1.084656321633177
Energy: 1.100580626622495
Energy: 1.3481656207590618

minimum gb energy = 1.0843920504515667 eV
minimum distance =  2.52265736942683 Angstroms
sigma value = 23