Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.678452149033547
cohesive_energy=4.224994686759812
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7596705971222e-19, 2.7694904859997197e-19, 3.33634057910892e-19, 3.78531853725474e-19, 4.1858626957547397e-19, 4.550085509961959e-19, 4.879797439472819e-19, 5.1755912896419e-19, 5.438508475281299e-19, 5.67003902066064e-19, 5.87194532007732e-19, 6.04608589842678e-19, 6.1946076723985795e-19, 6.319994015775419e-19, 6.424760345872679e-19, 6.511325949407699e-19, 6.5819018301354e-19, 6.63844264354926e-19, 6.68272680571302e-19, 6.716292406195319e-19, 6.740549360434079e-19, 6.756699300904799e-19, 6.76578364241958e-19, 6.768651538594439e-19, 6.765655468288859e-19, 6.75612251731656e-19, 6.73905933616446e-19, 6.7132002052917e-19, 6.676878860998919e-19, 6.628012473661919e-19, 6.56394143006826e-19, 6.481269115753859e-19, 6.375669653806919e-19, 6.24150338247576e-19, 6.07159255044006e-19, 5.85661248968994e-19, 5.58483526726452e-19, 5.241456771065639e-19, 4.807699490942819e-19, 4.2596749732831196e-19, 3.5666534702464194e-19, 2.68878884894514e-19, 1.5739639056518938e-19, 1.530419949093042e-20, -1.66621563406098e-19, -4.0079249587826997e-19, -7.052765521101659e-19, -1.107892324997928e-18, -1.65318993802656e-18, -2.4162425817354e-18, -3.528745971085979e-18, -5.2269410507616e-18]
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: -1e-07 eV

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

Energy: 0.015738346558670457
Energy: 0.016407680476877108
Energy: 1.0916433004754158
Energy: 0.1099566292113751
Energy: 0.016407680476304996
Energy: 1.434530518405329
Energy: 0.10995662921076935
Energy: 1.4345326858095067
Energy: 1.0916433004724546
Energy: 0.10995662921076935
Energy: 0.015738346558670457
Energy: 0.016407680476304996
Energy: 0.10995662921076935
Energy: 1.4345337017265705
Energy: 0.016407680476304996
Energy: 1.4345296972381043

minimum gb energy = 0.015738346558670457 eV
minimum distance =  2.57429644933957 Angstroms
sigma value = 1


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

Energy: 0.9938441702811367
Energy: 0.7371192685279088
Energy: 0.7435541644603543
Energy: 0.7361251946304638
Energy: 0.7178916839425025
Energy: 0.83019932669838
Energy: 0.725796375932686
Energy: 0.83019932669838
Energy: 0.7233130160127517
Energy: 0.7227667622995294
Energy: 0.8316926909747415
Energy: 0.7227667622973255
Energy: 0.7221360500020861
Energy: 0.8215539896041038
Energy: 0.7267195881500533
Energy: 0.8215539896026345
Energy: 0.9044052935935513
Energy: 0.8228454459039233
Energy: 0.8252044834839894
Energy: 0.8228454459039233
Energy: 0.7225387723506482
Energy: 0.8226321360242347
Energy: 0.8214349115243198
Energy: 0.8226321360242347
Energy: 0.8207995095641456
Energy: 1.0563916334358283
Energy: 0.8966992438129457
Energy: 1.0563916334358283
Energy: 0.9053225395347493
Energy: 1.0545586689545197
Energy: 0.8172752222374058
Energy: 1.0545586689545197
Energy: 0.8248942582921853
Energy: 1.1983469119299441
Energy: 0.8174948031870802
Energy: 1.1983469119292096
Energy: 0.8936563362821645
Energy: 1.1952653749378483
Energy: 0.9045274534883447
Energy: 1.1952653749378483
Energy: 0.8897607817505362
Energy: 1.1972690031840887
Energy: 0.820667943287777
Energy: 1.1972690031848237
Energy: 0.9056582494883018
Energy: 1.1957766864796968
Energy: 0.8177922660168542
Energy: 1.1957766864789623
Energy: 0.8218187588411606
Energy: 1.0567321806799985
Energy: 0.8929078971114274
Energy: 1.0567321806792638
Energy: 0.7221198449093709
Energy: 1.055893530902339
Energy: 0.8952027635727727
Energy: 1.0558935309016042
Energy: 0.9004591504285457
Energy: 0.8236092552693519
Energy: 0.8241119476511244
Energy: 0.8236092552678826
Energy: 0.7363991443095012
Energy: 0.8226132996810558
Energy: 0.727193813453745
Energy: 0.8226132996810558
Energy: 0.7258239045867855
Energy: 0.7196051594987539
Energy: 0.7441961245710418
Energy: 0.7196051595193245
Energy: 0.7259780984341093
Energy: 0.7227522808415261
Energy: 0.7182433482691106
Energy: 0.7227522808341794
Energy: 0.8313592513568454
Energy: 0.7262350273324697
Energy: 0.7278661425268041
Energy: 0.7262350273302658
Energy: 0.730535311087957
Energy: 0.7224133926421666
Energy: 0.7224755865674503
Energy: 0.7224133926429013
Energy: 0.8224050786158985
Energy: 0.8220570373865816
Energy: 0.9041837492750322
Energy: 0.8220570373865816
Energy: 0.8222360391338002
Energy: 0.8207451700841273
Energy: 0.722873986639588
Energy: 0.8207451700841273
Energy: 0.8965361721520099
Energy: 1.0555358821526883
Energy: 0.8200478823382678
Energy: 1.0555358821519536
Energy: 0.8174849648974873
Energy: 1.0556128512957774
Energy: 0.9021955829800304
Energy: 1.055612851295043
Energy: 0.8163338934502236
Energy: 1.1986961949819368
Energy: 0.8239362566487825
Energy: 1.1986961949819368
Energy: 0.9091684273463997
Energy: 1.1957498145203926
Energy: 0.8945553581822574
Energy: 1.1957498145203926
Energy: 0.8209593781946679
Energy: 1.1968747933745163
Energy: 0.895095217464544
Energy: 1.1968747933745163
Energy: 0.819767304885116
Energy: 1.1973428324936808
Energy: 0.8973367726460864
Energy: 1.1973428324936808
Energy: 0.8914263426710873
Energy: 1.0579609125934821
Energy: 0.8211188085827208
Energy: 1.0579609125942169
Energy: 0.8959176774442722
Energy: 1.0572535222919472
Energy: 0.7226682837232921
Energy: 1.0572535222912127
Energy: 0.823908206920601
Energy: 0.8250820428167394
Energy: 0.9003961076271016
Energy: 0.8250820428138007
Energy: 0.7272899239785389
Energy: 0.8226283490284422
Energy: 0.737160212880028
Energy: 0.8226283490284422
Energy: 0.7437910094166177
Energy: 0.7190736637838073
Energy: 0.7272691289258719
Energy: 0.7190736637838073

minimum gb energy = 0.7178916839425025 eV
minimum distance =  2.2987803764897 Angstroms
sigma value = 1


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

Energy: 0.9970249927749174
Energy: 0.813761856187711
Energy: 0.8151640768307483
Energy: 0.8109951209554987
Energy: 0.784375739890442
Energy: 0.9117618180483669
Energy: 0.7979068640601646
Energy: 0.9117618180508418
Energy: 0.7950403342946661
Energy: 0.7943251580146288
Energy: 0.9107124944407594
Energy: 0.7943251580163041
Energy: 0.792779716310543
Energy: 0.9063060604064946
Energy: 0.798252170099619
Energy: 0.9063060604098452
Energy: 0.9018848434339201
Energy: 0.9087725386184397
Energy: 0.9066056703643628
Energy: 0.9087725386167644
Energy: 0.7934394048164163
Energy: 0.9060768746271144
Energy: 0.904930365056883
Energy: 0.9060768746271144
Energy: 0.9057011319974752
Energy: 1.1626227465143093
Energy: 0.9027734986563868
Energy: 1.1626227465159846
Energy: 0.9972969344453418
Energy: 1.1607379234189232
Energy: 0.895090685355241
Energy: 1.1607379234164101
Energy: 0.894031859497023
Energy: 1.2943950614650148
Energy: 0.8063485944722446
Energy: 1.2943950614666901
Energy: 0.8953763875959122
Energy: 1.2940760460110088
Energy: 0.9872662977257818
Energy: 1.2940760460110088
Energy: 0.9726948584702156
Energy: 1.1619826548276715
Energy: 0.9057693727162255
Energy: 1.1619826548276715
Energy: 0.9887451188030759
Energy: 1.1629702342586015
Energy: 0.7923796838250178
Energy: 1.1629702342586015
Energy: 0.9083355391448038
Energy: 0.9078142150906949
Energy: 0.9823132657060412
Energy: 0.9078142150865068
Energy: 0.7980880400857844
Energy: 0.9060989166219972
Energy: 0.8103809810651958
Energy: 0.9060989166219972
Energy: 0.8193634737748312
Energy: 0.789659309227309
Energy: 0.7959912422163455
Energy: 0.7896593092256335
Energy: 0.7846890124176047
Energy: 0.792975798681669
Energy: 0.7979155648664371
Energy: 0.7929757986758054
Energy: 0.8008345795091486
Energy: 0.7991581966555511
Energy: 0.910902087163995
Energy: 0.7991581966538758
Energy: 0.792309983265536
Energy: 0.7927170793357289
Energy: 0.8044036587827351
Energy: 0.7927170793365664
Energy: 0.9023555274120745
Energy: 0.9060883114929276
Energy: 0.9070359057443488
Energy: 0.9060883114946029
Energy: 0.7938622286167724
Energy: 0.9068652538041665
Energy: 0.905430246338434
Energy: 0.9068652538066794
Energy: 0.9048337985217125
Energy: 1.1645002088557657
Energy: 0.9031507058581839
Energy: 1.1645002088540908
Energy: 0.9056255010654254
Energy: 1.1603799988998038
Energy: 0.8955365903973147
Energy: 1.1603799989006416
Energy: 0.8940327539420037
Energy: 1.294282487484957
Energy: 0.8063845838257774
Energy: 1.294282487484957
Energy: 0.8956486274990243
Energy: 1.2949620041857473
Energy: 0.9823386526213564
Energy: 1.2949620041849095
Energy: 0.9733007142582429
Energy: 1.1642625263473911
Energy: 0.9058241770829288
Energy: 1.164262526348229
Energy: 0.9898159641672614
Energy: 1.1617032389421413
Energy: 0.7925677206063437
Energy: 1.161703238942979
Energy: 0.9096539314160949
Energy: 0.9082806046125719
Energy: 0.9812820783467795
Energy: 0.9082806046150849
Energy: 0.7979401824570245
Energy: 0.9078668522415375
Energy: 0.8089041510712819
Energy: 0.9078668522432127
Energy: 0.8187958419381397
Energy: 0.7890687244498349
Energy: 0.7970828973702877
Energy: 0.7890687244489972

minimum gb energy = 0.784375739890442 eV
minimum distance =  2.29942664002417 Angstroms
sigma value = 25


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

Energy: 1.0967760876829336
Energy: 0.907798538425326
Energy: 0.907430941212561
Energy: 0.9059257898618762
Energy: 0.8658564642474603
Energy: 1.0141763934476014
Energy: 0.8881352667838466
Energy: 1.0141763934466275
Energy: 0.883853285618348
Energy: 0.8822234051147086
Energy: 0.9322971343636163
Energy: 0.8822234051147086
Energy: 0.8809666455240064
Energy: 1.0140114054194147
Energy: 0.8877082456851957
Energy: 1.014011405418441
Energy: 0.922118252747091
Energy: 1.0151133220246975
Energy: 1.0149128806147374
Energy: 1.0151133220237238
Energy: 0.8817042920069321
Energy: 1.013921375483686
Energy: 1.0127861298314593
Energy: 1.013921375483686
Energy: 1.0127880866075158
Energy: 1.2915162923214458
Energy: 1.0184109390106337
Energy: 1.2915162923214458
Energy: 1.0135280470889205
Energy: 1.2888019765242742
Energy: 0.9136499463485336
Energy: 1.2888019765252479
Energy: 1.0123043671243181
Energy: 1.291457564630921
Energy: 0.8978031038803103
Energy: 1.291457564630921
Energy: 0.8809419960111794
Energy: 1.290660291512366
Energy: 1.0135311810380103
Energy: 1.290660291512366
Energy: 0.9008603076366899
Energy: 1.0138340440419935
Energy: 1.014202152121606
Energy: 1.0138340440419935
Energy: 0.9003121458942314
Energy: 1.013806804585161
Energy: 0.8883073479876247
Energy: 1.013806804585161
Energy: 0.8838053257250522
Energy: 0.8788661340741251
Energy: 0.910868008913031
Energy: 0.878866134088731
Energy: 0.8884684398488997
Energy: 0.880306094981846
Energy: 0.8681462815029175
Energy: 0.8803060949828198
Energy: 0.9315315564633811
Energy: 0.8888208517403079
Energy: 0.8889701881460319
Energy: 0.8888208517393343
Energy: 0.8933135000068814
Energy: 0.8810675212228786
Energy: 0.8805471814298597
Energy: 0.8810675212228786
Energy: 1.0136452588665594
Energy: 1.0121083138698626
Energy: 0.9217952195273341
Energy: 1.0121083138708362
Energy: 1.0134798200070771
Energy: 1.0132698335597181
Energy: 0.8821196779732897
Energy: 1.0132698335606918
Energy: 1.0186456442217153
Energy: 1.2918759171627354
Energy: 1.0116984291630826
Energy: 1.291875917163709
Energy: 0.9147211244981056
Energy: 1.2905734976597398
Energy: 1.0122502375591036
Energy: 1.2905734976597398
Energy: 0.8980362496448767
Energy: 1.292436616352264
Energy: 1.012240078458892
Energy: 1.2924366163532377
Energy: 0.9001414064819633
Energy: 1.290763135595915
Energy: 0.8812765103713122
Energy: 1.2907631355968887
Energy: 1.0161645677735958
Energy: 1.0161465726604544
Energy: 0.9006753839044604
Energy: 1.0161465726653232
Energy: 0.8882828690353023
Energy: 1.0152980110739502
Energy: 0.9007501685095719
Energy: 1.015298011074924
Energy: 0.9090580308708762
Energy: 0.877793654845562
Energy: 0.8846165235804182
Energy: 0.8777936548445883

minimum gb energy = 0.8658564642474603 eV
minimum distance =  2.29876901907923 Angstroms
sigma value = 9


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

Energy: 1.2142330443984235
Energy: 1.027210303288033
Energy: 1.0207278799838007
Energy: 1.0239856206470288
Energy: 0.9712204861654803
Energy: 1.1399464476240135
Energy: 1.001829050910838
Energy: 1.139946447625175
Energy: 0.9911980290857797
Energy: 0.9911245100284515
Energy: 1.0187227771513832
Energy: 0.9911245100586532
Energy: 0.9903804130460362
Energy: 1.1414709274280719
Energy: 0.9991437800862356
Energy: 1.1414709274257486
Energy: 1.1745708595705275
Energy: 1.1524984839726364
Energy: 1.1523420849858461
Energy: 1.1524984839726364
Energy: 1.0040933992773164
Energy: 1.1526655786950517
Energy: 1.1517851260670036
Energy: 1.15266557869389
Energy: 1.2850943878494658
Energy: 1.3836918791334778
Energy: 1.166929150218775
Energy: 1.3836918791334778
Energy: 1.1694662284004511
Energy: 1.380671330133415
Energy: 1.040070254893771
Energy: 1.380671330133415
Energy: 1.1538067439056021
Energy: 1.1522289475551524
Energy: 1.017251763018887
Energy: 1.1522289475539906
Energy: 0.9937525515778528
Energy: 1.151434907983415
Energy: 1.0161050122934825
Energy: 1.1514349079845767
Energy: 1.0251458801294167
Energy: 0.9892917486643108
Energy: 0.9894873032120589
Energy: 0.9892917486631493
Energy: 0.9706919541830374
Energy: 0.9871074434083846
Energy: 1.0019432362681537
Energy: 0.9871074443848694
Energy: 1.0009236675448614
Energy: 0.9978376900176295
Energy: 1.0006393008061614
Energy: 0.9978376901952752
Energy: 0.9904486486241689
Energy: 0.9906235904875602
Energy: 1.0590198958473303
Energy: 0.9906235905456139
Energy: 1.1738509983590928
Energy: 1.1483801314443667
Energy: 1.1518351962434192
Energy: 1.1483801314466897
Energy: 1.0020755575646356
Energy: 1.1524632545057736
Energy: 1.1520088774703876
Energy: 1.1524632545069353
Energy: 1.280505836696525
Energy: 1.4475235995418974
Energy: 1.16734421203806
Energy: 1.4475235995418974
Energy: 1.2790334631284892
Energy: 1.3807724795745275
Energy: 1.041978003438928
Energy: 1.3807724795745275
Energy: 1.1527856373597944
Energy: 1.1523336732760656
Energy: 1.0172867943916981
Energy: 1.1523336732760656
Energy: 1.0023785335511963
Energy: 1.1516860311688528
Energy: 1.0181976700303041
Energy: 1.151686031171176
Energy: 1.019962379594282
Energy: 0.9864130347536745
Energy: 0.9858943581417896
Energy: 0.9864130339385997

minimum gb energy = 0.9706919541830374 eV
minimum distance =  2.3174883283189 Angstroms
sigma value = 25


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

Energy: 1.29196289732928
Energy: 1.1844480560297628
Energy: 1.1989308806853525
Energy: 1.1543563602036637
Energy: 1.1323033442388815
Energy: 1.1544675716993904
Energy: 1.1661369150037089
Energy: 1.1544675716979536
Energy: 1.1543601269207344
Energy: 1.1546854865943759
Energy: 1.1634350203581991
Energy: 1.1546854865943759
Energy: 1.1551873058732403
Energy: 1.2641645191366047
Energy: 1.1978248784819023
Energy: 1.2641645191366047
Energy: 1.2052593737773798
Energy: 1.1976361216367661
Energy: 1.1999145317103674
Energy: 1.1976361216051623
Energy: 1.1546998369674673
Energy: 1.1974514494287654
Energy: 1.200624101694258
Energy: 1.1974514494287654
Energy: 1.1711202657736237
Energy: 1.1976025455836172
Energy: 1.1978897470665029
Energy: 1.1976025455836172
Energy: 1.171404301752708
Energy: 1.262468650466936
Energy: 1.1995647168843784
Energy: 1.262468650466936
Energy: 1.157462068430263
Energy: 1.154646484574998
Energy: 1.1369033708677245
Energy: 1.154646484574998
Energy: 1.1663523238055398
Energy: 1.154164990410817
Energy: 1.135972511793072
Energy: 1.1541649904093805
Energy: 1.163672917066618
Energy: 1.1543727470849194
Energy: 1.1691164787791433
Energy: 1.1543727470849194
Energy: 1.1652724074477743
Energy: 1.1541951033380684
Energy: 1.1554641607670604
Energy: 1.1541951033380684
Energy: 1.2002857947393066
Energy: 1.4594284598466256
Energy: 1.2052761312923248
Energy: 1.4594284598466256
Energy: 1.2000349994067894
Energy: 1.1981197304297146
Energy: 1.154433192675007
Energy: 1.1981197304368973
Energy: 1.1979788742362159
Energy: 1.3732405886393444
Energy: 1.1711525375311778
Energy: 1.3732405886393444
Energy: 1.2005254707057915
Energy: 1.1974899409498045
Energy: 1.1709673971051575
Energy: 1.1974899409483681
Energy: 1.1362950831759813
Energy: 1.1538401591886474
Energy: 1.1560510673903093
Energy: 1.1538401591886474

minimum gb energy = 1.1323033442388815 eV
minimum distance =  2.31480185390223 Angstroms
sigma value = 17


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

Energy: 1.3115052798792122
Energy: 1.2221244817030026
Energy: 1.2672910810632891
Energy: 1.2634587085098246
Energy: 1.2225254642169958
Energy: 1.2347667933917263
Energy: 1.2230789882452664
Energy: 1.2347667933917263
Energy: 1.2327410485235073
Energy: 1.2355530817984568
Energy: 1.23737073274615
Energy: 1.2355530817992704
Energy: 1.2348893067031574
Energy: 1.2361945774624898
Energy: 1.231403216074732
Energy: 1.2361945774616763
Energy: 1.3174960582329538
Energy: 1.4417668244898487
Energy: 1.372418284569705
Energy: 1.4417668244898487
Energy: 1.2371963979231617
Energy: 1.4443501290225824
Energy: 1.2358673830305007
Energy: 1.4443501290217688
Energy: 1.2449286813299913
Energy: 1.234716963348453
Energy: 1.2378666095083666
Energy: 1.2347169633492665
Energy: 1.223512228415564
Energy: 1.2341221722555162
Energy: 1.2337888226053007
Energy: 1.2341221722563298
Energy: 1.2231270096936786
Energy: 1.222619472158037
Energy: 1.2447761475552181
Energy: 1.2226194721588508
Energy: 1.2323939446112206
Energy: 1.2296707362645158
Energy: 1.230169597578517
Energy: 1.2296707362628887
Energy: 1.3205757282561694
Energy: 1.307539225885561
Energy: 1.249677579035392
Energy: 1.307539225885561
Energy: 1.230792474031415
Energy: 1.3067990178816533
Energy: 1.305015519354928
Energy: 1.3067990178816533
Energy: 1.2386267992870643
Energy: 1.3073391591620582
Energy: 1.307023170695012
Energy: 1.3073391591620582
Energy: 1.2378789819804128
Energy: 1.3061341691037445
Energy: 1.2506584945455235
Energy: 1.3061341691053716
Energy: 1.2328056591733483
Energy: 1.2286595881210662
Energy: 1.2325200602775817
Energy: 1.2286595881218798
Energy: 1.2247179617086825
Energy: 1.229528268542681
Energy: 1.2324931644535955
Energy: 1.229528268542681
Energy: 1.2378128672381425
Energy: 1.2350339611837953
Energy: 1.23270226467163
Energy: 1.2350339611837953
Energy: 1.2378723830178362
Energy: 1.2348064010337687
Energy: 1.23575710715916
Energy: 1.2348064010337687
Energy: 1.2404009982565118
Energy: 1.4480751112977448
Energy: 1.3176164019113712
Energy: 1.4480751112985584
Energy: 1.3781688799040221
Energy: 1.4442606534944236
Energy: 1.2363730037458098
Energy: 1.4442606534944236
Energy: 1.239383164802507
Energy: 1.2346797687105688
Energy: 1.2233337133625388
Energy: 1.2346797687105688
Energy: 1.2350157209254897
Energy: 1.2315850769111065
Energy: 1.2445545583691096
Energy: 1.2315850769111065
Energy: 1.2303498673044178
Energy: 1.2299671685125244
Energy: 1.2251023816520694
Energy: 1.2299671685125244
Energy: 1.2448557379642244
Energy: 1.230497437639085
Energy: 1.2309680328567458
Energy: 1.230497437639085
Energy: 1.2500194641470215
Energy: 1.305543927462573
Energy: 1.2311538453967155
Energy: 1.305543927462573
Energy: 1.3056971245724711
Energy: 1.306689451522224
Energy: 1.3208321207363047
Energy: 1.3066894515230376
Energy: 1.2498883381482517
Energy: 1.3756765148565562
Energy: 1.2382351082866727
Energy: 1.3756765148565562
Energy: 1.3066112618742936
Energy: 1.3071321532467048
Energy: 1.2384018358334978
Energy: 1.3071321532475184
Energy: 1.3053544840039066
Energy: 1.5386832399768142
Energy: 1.2388066572358165
Energy: 1.5386832399768142
Energy: 1.232776427214998
Energy: 1.2311481585759714
Energy: 1.2316623896194279
Energy: 1.231148158576785

minimum gb energy = 1.2221244817030026 eV
minimum distance =  2.31413372509398 Angstroms
sigma value = 53


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

Energy: 1.8680067650454952
Energy: 1.287297671353417
Energy: 1.2799147494225174
Energy: 1.2810530077604687
Energy: 1.2884194655819936
Energy: 1.2815141984622915
Energy: 1.2837711739340358
Energy: 1.2815141984660376
Energy: 1.2825724446064393
Energy: 1.2833964760983825
Energy: 1.3068783952730014
Energy: 1.2833964760983825
Energy: 1.2825937251228166
Energy: 1.3501879326076436
Energy: 1.2825602670767309
Energy: 1.3501879326076436
Energy: 1.2977523472851151
Energy: 1.3499048924963488
Energy: 1.2700088168279517
Energy: 1.3499048924963488
Energy: 1.280758718108498
Energy: 1.3505205267053497
Energy: 1.270244012047856
Energy: 1.3505205267053497
Energy: 1.2863785661936835
Energy: 1.2821526145514386
Energy: 1.2825018941455395
Energy: 1.2821526145514386
Energy: 1.2856072930117162
Energy: 1.2821520246527762
Energy: 1.2819427595549735
Energy: 1.2821520246546492
Energy: 1.2819860770163347
Energy: 1.282346660379233
Energy: 1.306649844231747
Energy: 1.2823466603773601
Energy: 1.2813351742924508
Energy: 1.281020369385691
Energy: 1.2816955664499394
Energy: 1.281020369387564
Energy: 1.2981721324579711
Energy: 1.3516377134357982
Energy: 1.270867896348258
Energy: 1.3516377134357982
Energy: 1.2816896762866299
Energy: 1.3499968351088638
Energy: 1.272592023594643
Energy: 1.3499968351088638
Energy: 1.2855679335035435
Energy: 1.2822434201986603
Energy: 1.2838977640936446
Energy: 1.2822434202005333

minimum gb energy = 1.2700088168279517 eV
minimum distance =  2.32076937378112 Angstroms
sigma value = 9


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

Energy: 1.7793948675294275
Energy: 1.292203102825171
Energy: 1.3822546522558792
Energy: 1.2977632310968685
Energy: 1.422311549902846
Energy: 1.310313484460019
Energy: 1.3687910868971864
Energy: 1.310313484460712
Energy: 1.2847313775895643
Energy: 1.2891149472568972
Energy: 1.2993892968552254
Energy: 1.289114947256204
Energy: 1.2847211317193759
Energy: 1.31138965842887
Energy: 1.3665968464876586
Energy: 1.3113896584295635
Energy: 1.3133011157846164
Energy: 1.3122689219269357
Energy: 1.3108945855322731
Energy: 1.3122689219269357
Energy: 1.3465897430986873
Energy: 1.3107810380401543
Energy: 1.319931147628034
Energy: 1.310781038039461
Energy: 1.375512201668822
Energy: 1.2938417465381955
Energy: 1.3658216981208746
Energy: 1.2938417465381955
Energy: 1.3753169727462928
Energy: 1.292690462302521
Energy: 1.2975011919394868
Energy: 1.292690462303214
Energy: 1.278934800851898
Energy: 1.3378944636340118
Energy: 1.3291213205647525
Energy: 1.3378944636340118
Energy: 1.3459847003772085
Energy: 1.3266087421953585
Energy: 1.297347731905263
Energy: 1.3266087421967447
Energy: 1.27630793563988
Energy: 1.2757154900589418
Energy: 1.4198944638082216
Energy: 1.2757154900596348
Energy: 1.4110908152144168
Energy: 1.3201616887294214
Energy: 1.3178596839479917
Energy: 1.3201616887287282
Energy: 1.3691824163033046
Energy: 1.2767180813483838
Energy: 1.418620936601285
Energy: 1.2767180813483838
Energy: 1.3686281942658574
Energy: 1.277456841918366
Energy: 1.2798332706579159
Energy: 1.2774568419190593
Energy: 1.2938721765569325
Energy: 1.279910479619911
Energy: 1.2856637321881867
Energy: 1.279910479619911
Energy: 1.2778771722745412
Energy: 1.3760154841103247
Energy: 1.2801625141778374
Energy: 1.3760154841248826
Energy: 1.2983012657109887
Energy: 1.374200767339368
Energy: 1.2802485996172435
Energy: 1.3742007673407546
Energy: 1.3017156014159732
Energy: 1.2959668638100421
Energy: 1.3233378509382612
Energy: 1.2959668638100421
Energy: 1.3684769437117608
Energy: 1.2932750947701868
Energy: 1.424391233677872
Energy: 1.2932750947701868
Energy: 1.299143416828794
Energy: 1.2860413194034725
Energy: 1.284386667606533
Energy: 1.2860413194034725
Energy: 1.3669282929541258
Energy: 1.3125619363796832
Energy: 1.3150168092720296
Energy: 1.31256193637899
Energy: 1.3202100205617775
Energy: 1.311241227689544
Energy: 1.3112475570418614
Energy: 1.311241227689544
Energy: 1.3107892133183563
Energy: 1.311191845125804
Energy: 1.3453420623306018
Energy: 1.3111918451223379
Energy: 1.3663155638868747
Energy: 1.2943109530464978
Energy: 1.37577545993684
Energy: 1.2943109530464978
Energy: 1.2974817695890015
Energy: 1.292798785170223
Energy: 1.374997042850054
Energy: 1.2927987851709162
Energy: 1.3279479366303322
Energy: 1.3773064855678707
Energy: 1.2775203542601123
Energy: 1.3773064855678707
Energy: 1.299165158859647
Energy: 1.3239826393620855
Energy: 1.3453104462470142
Energy: 1.3239826393620855
Energy: 1.4205166474392181
Energy: 1.2760041122243444
Energy: 1.277094038611687
Energy: 1.2760041122243444
Energy: 1.3179668224430374
Energy: 1.342120294696562
Energy: 1.2973307160690337
Energy: 1.342120294697255
Energy: 1.4201132671906438
Energy: 1.2764363207953078
Energy: 1.3699113523561428
Energy: 1.2764363207953078
Energy: 1.2815399764976487
Energy: 1.277016267319276
Energy: 1.3026335420055672
Energy: 1.2770162673185828
Energy: 1.283034335735811
Energy: 1.2801952940062102
Energy: 1.2939600364499266
Energy: 1.2801952940055172
Energy: 1.2789115519606353
Energy: 1.5720554402694613
Energy: 1.277810092504309
Energy: 1.5720554402687683
Energy: 1.2793914375501998
Energy: 1.3766322744874562
Energy: 1.2845536889774518
Energy: 1.3766322744881494
Energy: 1.32261775752222
Energy: 1.2950243584286254
Energy: 1.29943779185469
Energy: 1.2950243584286254

minimum gb energy = 1.2757154900589418 eV
minimum distance =  2.29668646593748 Angstroms
sigma value = 73


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

Energy: 1.6908832877082132
Energy: 1.2607504030213552
Energy: 1.254056567355785
Energy: 1.2553330238039087
Energy: 1.4222081079317193
Energy: 1.3521025826834594
Energy: 1.3442195691752814
Energy: 1.3521025826823596
Energy: 1.2480887610684641
Energy: 1.2486415350287334
Energy: 1.336528014003917
Energy: 1.248641535050731
Energy: 1.2489317705386662
Energy: 1.2493146720757067
Energy: 1.2662219589453936
Energy: 1.2493146720757067
Energy: 1.2986302997022052
Energy: 1.2974366105249027
Energy: 1.272529519261337
Energy: 1.2974366105249027
Energy: 1.3293194608539987
Energy: 1.3514535580324492
Energy: 1.2744523299798853
Energy: 1.3514535580324492
Energy: 1.3499100556912667
Energy: 1.256683278684096
Energy: 1.344961667420648
Energy: 1.256683278682996
Energy: 1.349895421026696
Energy: 1.254658369695522
Energy: 1.255713814916311
Energy: 1.254658369695522
Energy: 1.2566146694413645
Energy: 1.327226171503759
Energy: 1.3285092152892497
Energy: 1.327226171504859
Energy: 1.355162025248969
Energy: 1.3282517551107131
Energy: 1.2556326981817314
Energy: 1.3282517551107131
Energy: 1.2561033316217594
Energy: 1.2536802749405418
Energy: 1.4226014416658836
Energy: 1.2536802749405418
Energy: 1.3452167263362163
Energy: 1.25736843281985
Energy: 1.2878550205909178
Energy: 1.25736843281985
Energy: 1.2646666434392395
Energy: 1.3512245558139682
Energy: 1.328104560221224
Energy: 1.3512245558381655
Energy: 1.3344917378962649
Energy: 1.248666142625462
Energy: 1.249650850571067
Energy: 1.248666142625462
Energy: 1.2656533784260737
Energy: 1.2506454143120316
Energy: 1.2485989942531954
Energy: 1.2506454143120316
Energy: 1.2746605723407027
Energy: 1.298161479070706
Energy: 1.248664133560282
Energy: 1.298161479070706
Energy: 1.2721893816937746
Energy: 1.352487914830567
Energy: 1.3269613032970444
Energy: 1.352487914830567
Energy: 1.2737145399061216
Energy: 1.344610948224538
Energy: 1.35503678043081
Energy: 1.3446109482212385
Energy: 1.2565209861996733
Energy: 1.2554320388083349
Energy: 1.3526475172762897
Energy: 1.2554320388083349
Energy: 1.3274936514286821
Energy: 1.391034678362312
Energy: 1.2547715214537263
Energy: 1.391034678362312
Energy: 1.254703643731333
Energy: 1.3281823015281704
Energy: 1.357986495526953
Energy: 1.3281823015281704
Energy: 1.2865533770901618
Energy: 1.2543825664918786
Energy: 1.2572444371580287
Energy: 1.2543825664918786

minimum gb energy = 1.2480887610684641 eV
minimum distance =  2.29561015529114 Angstroms
sigma value = 7


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

Energy: 1.418678098126823
Energy: 1.246214598724694
Energy: 1.3740937211710433
Energy: 1.2539102244410991
Energy: 1.3849855106269795
Energy: 1.250143487064477
Energy: 1.3245293974117955
Energy: 1.250143487063699
Energy: 1.2618269445723003
Energy: 1.2745004212485067
Energy: 1.3378601497418416
Energy: 1.2745004212508397
Energy: 1.264196820532948
Energy: 1.2748841935601278
Energy: 1.3727437392903405
Energy: 1.2748841935616837
Energy: 1.2711740813678036
Energy: 1.269760951710659
Energy: 1.2849418929477117
Energy: 1.2697609517091037
Energy: 1.3781896305682542
Energy: 1.2684365449272406
Energy: 1.2830430520078275
Energy: 1.2684365449225743
Energy: 1.3288403686309735
Energy: 1.2704298923523356
Energy: 1.382343427045828
Energy: 1.2704298923523356
Energy: 1.3300690551455951
Energy: 1.2687850011794823
Energy: 1.2698708754784256
Energy: 1.26878500118026
Energy: 1.3258131470548293
Energy: 1.3426912748547084
Energy: 1.3427589492565675
Energy: 1.3426912748570414
Energy: 1.2706868948469028
Energy: 1.355721401128526
Energy: 1.2620792961147378
Energy: 1.3557214011293033
Energy: 1.322751379811887
Energy: 1.2492195803641362
Energy: 1.3844526758322935
Energy: 1.2492195803641362
Energy: 1.255965451531431
Energy: 1.2522223199232527
Energy: 1.3868262946144254
Energy: 1.2522223199263633
Energy: 1.2541683026335781
Energy: 1.2520113207249175
Energy: 1.2530319022012115
Energy: 1.2520113207233619
Energy: 1.2505771807842778
Energy: 1.3759785910940725
Energy: 1.2310358425327812
Energy: 1.3759785910971831
Energy: 1.252713795388283
Energy: 1.2513810402392729
Energy: 1.2383295358599187
Energy: 1.2513810402400503
Energy: 1.3872710188610857
Energy: 1.2520535204865144
Energy: 1.2570516143216695
Energy: 1.2520535204880696
Energy: 1.3868061088264365
Energy: 1.248267521733413
Energy: 1.324750866291419
Energy: 1.2482675217318575
Energy: 1.2622364601835967
Energy: 1.3595244631040115
Energy: 1.3371704787356973
Energy: 1.3595244631040115
Energy: 1.3446861318232262
Energy: 1.3434787257743825
Energy: 1.3771794976943434
Energy: 1.3434787257743825
Energy: 1.2676500846282823
Energy: 1.2675844936522203
Energy: 1.3806506300208574
Energy: 1.2675844936514427
Energy: 1.3809883406483372
Energy: 1.2699074823844838
Energy: 1.2766068462906757
Energy: 1.2699074823852614
Energy: 1.3291224566433093
Energy: 1.2683783686567547
Energy: 1.3803903057499447
Energy: 1.2683783686567547
Energy: 1.3288665478906363
Energy: 1.2693556587681787
Energy: 1.261238478094257
Energy: 1.2693556587658457
Energy: 1.3245465069065454
Energy: 1.3367914070721474
Energy: 1.2656474630633228
Energy: 1.336791407073703
Energy: 1.2698917459676045
Energy: 1.2624142362985793
Energy: 1.2628629240590228
Energy: 1.2624142362962818
Energy: 1.2736777593737063
Energy: 1.3559943738125564
Energy: 1.3101655555782603
Energy: 1.355994373814112
Energy: 1.2505172176788382
Energy: 1.25295169399865
Energy: 1.8934090974432782
Energy: 1.2529516939978722
Energy: 1.2515642132516696
Energy: 1.2509315310120237
Energy: 1.309208715743509
Energy: 1.250931531012801
Energy: 1.335434968645289
Energy: 1.373779578241073
Energy: 1.2554276109184923
Energy: 1.3737795782387399
Energy: 1.2528809232905285
Energy: 1.3344399946700578
Energy: 1.2314720881580623
Energy: 1.3344399946708356
Energy: 1.3864501174312378
Energy: 1.249492218081589
Energy: 1.25263977021924
Energy: 1.2494922180831445

minimum gb energy = 1.2310358425327812 eV
minimum distance =  2.29520205532777 Angstroms
sigma value = 29


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

Energy: 1.3483365526951503
Energy: 1.3486756716838402
Energy: 1.1420550088356176
Energy: 1.24685696566077
Energy: 1.1457398878447858
Energy: 1.2307007605254638
Energy: 1.1438432870159807
Energy: 1.2307007605254638
Energy: 1.146204919953448
Energy: 1.2305815281397043
Energy: 1.2545864669673936
Energy: 1.2305815281397043
Energy: 1.1479130734432914
Energy: 1.1447827387630403
Energy: 1.143704145123921
Energy: 1.1447827387627691
Energy: 1.145838211619181
Energy: 1.1438210374318285
Energy: 1.149690109493674
Energy: 1.1438210374320996
Energy: 1.1443238701921856
Energy: 1.2303015222616513
Energy: 1.1483428611870643
Energy: 1.2303015222608686
Energy: 1.2551310423674416
Energy: 1.2307633666559645
Energy: 1.1439647560970692
Energy: 1.2307633666565063
Energy: 1.1440743249923688
Energy: 1.1456203553871467
Energy: 1.1467595475520969
Energy: 1.1456203553871467
Energy: 1.1461510392839422
Energy: 1.2486806861927482
Energy: 1.2491456646750367
Energy: 1.2486806861924775

minimum gb energy = 1.1420550088356176 eV
minimum distance =  2.32304405285819 Angstroms
sigma value = 5


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

Energy: 1.7010999882945486
Energy: 1.1271182477314476
Energy: 1.3078127067049679
Energy: 1.1147757879573625
Energy: 1.4359362460226777
Energy: 1.1085778735849372
Energy: 1.3025834440380217
Energy: 1.1085778735856722
Energy: 1.3015011309002245
Energy: 1.1706051093516787
Energy: 1.3058172155974557
Energy: 1.170605109350944
Energy: 1.110904816168115
Energy: 1.1677995002328667
Energy: 1.301653583913209
Energy: 1.1677995002321317
Energy: 1.2368554081423881
Energy: 1.1122061469175653
Energy: 1.3134201967664023
Energy: 1.112206146916831
Energy: 1.1129745872614338
Energy: 1.1116367648959378
Energy: 1.31246637778823
Energy: 1.1116367648959378
Energy: 1.1145468654833641
Energy: 1.1893057521034658
Energy: 1.4642522057333112
Energy: 1.1893057521027315
Energy: 1.112319627217293
Energy: 1.1102167802752017
Energy: 1.502196261969925
Energy: 1.1102167802752017
Energy: 1.2712763478404527
Energy: 1.414184165884748
Energy: 1.497162958479078
Energy: 1.4141841658854823
Energy: 1.4600392435768335
Energy: 1.119840275674109
Energy: 1.1218125064735154
Energy: 1.1198402756733743
Energy: 1.434654957137855
Energy: 1.1392807515474594
Energy: 1.140055754656984
Energy: 1.1392807515481942
Energy: 1.5012582307882656
Energy: 1.118212763253591
Energy: 1.1178274437508828
Energy: 1.118212763253591
Energy: 1.5059838805377972
Energy: 1.1175088804701996
Energy: 1.2417694686995564
Energy: 1.1175088804709339
Energy: 1.1128673111169212
Energy: 1.178162518429857
Energy: 1.308635114998523
Energy: 1.178162518429857
Energy: 1.1111683343657672
Energy: 1.1115299743783582
Energy: 1.3061173530283974
Energy: 1.1115299743790927
Energy: 1.1118863848462008
Energy: 1.1085219791132859
Energy: 1.465449380063461
Energy: 1.1085219791125513
Energy: 1.1180646504097778
Energy: 1.116289300120222
Energy: 1.1185247388299329
Energy: 1.1162893001209566
Energy: 1.3023843510720845
Energy: 1.1085946571224514
Energy: 1.4377416979391737
Energy: 1.108594657123186
Energy: 1.3066899147240811
Energy: 1.1709934150252876
Energy: 1.2998878600993886
Energy: 1.1709934150245531
Energy: 1.3019378812784104
Energy: 1.168469875001735
Energy: 1.2158419153373758
Energy: 1.168469875001735
Energy: 1.3118956474329058
Energy: 1.1111228160526865
Energy: 1.300528970200667
Energy: 1.1111228160526865
Energy: 1.3119309720572239
Energy: 1.1126864900406581
Energy: 1.1150493805665436
Energy: 1.1126864900391888
Energy: 1.464696323320253
Energy: 1.113481081780305
Energy: 1.1135254255475353
Energy: 1.1134810817795704
Energy: 1.5021222402695893
Energy: 1.1098655156120523
Energy: 1.1121170361848995
Energy: 1.1098655156113175
Energy: 1.4979968289933567
Energy: 1.414314691653518
Energy: 1.2704350350207223
Energy: 1.4143146916542528
Energy: 1.1237373950155867
Energy: 1.1195428702084398
Energy: 1.459554800383562
Energy: 1.1195428702084398
Energy: 1.1413212686879584
Energy: 1.13904114339326
Energy: 1.2708067847706386
Energy: 1.1390411433925254
Energy: 1.1397189245622694
Energy: 1.1389378867108673
Energy: 1.1057565397528564
Energy: 1.1389378867116018
Energy: 1.1262522819616128
Energy: 1.1181788099887293
Energy: 1.5079019107824727
Energy: 1.1181788099894638
Energy: 1.3076996507489835
Energy: 1.20025062317438
Energy: 1.2744812354433588
Energy: 1.20025062317438
Energy: 1.3074013008121341
Energy: 1.110726824272073
Energy: 1.1115029202495215
Energy: 1.110726824272073
Energy: 1.4641480529841788
Energy: 1.1096846444578563
Energy: 1.1124540561610887
Energy: 1.109684644458591
Energy: 1.1161108946253953
Energy: 1.114493454069602
Energy: 1.1165479792729516
Energy: 1.114493454069602

minimum gb energy = 1.1057565397528564 eV
minimum distance =  2.29720363498995 Angstroms
sigma value = 1


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

Energy: 1.7999494965848928
Energy: 1.072400396625598
Energy: 1.2564311913430013
Energy: 1.0600570610321483
Energy: 1.5180914651309945
Energy: 1.0559136962962323
Energy: 1.3197577926751975
Energy: 1.0559136962952163
Energy: 1.3183667109262083
Energy: 1.1373228361352605
Energy: 1.320414948165928
Energy: 1.1373228361362762
Energy: 1.055550556094496
Energy: 1.0589040619313417
Energy: 1.3203147476926202
Energy: 1.0589040619313417
Energy: 1.0626343354514032
Energy: 1.0596339571545272
Energy: 1.5565035738981006
Energy: 1.059633957156559
Energy: 1.0580430593092591
Energy: 1.0604431247732136
Energy: 1.560378601004104
Energy: 1.0604431247742296
Energy: 1.05791903153616
Energy: 1.0961430557057872
Energy: 1.5491477372342481
Energy: 1.0961430557037555
Energy: 1.057297673317097
Energy: 1.0578245864423028
Energy: 1.5936757062304268
Energy: 1.057824586443319
Energy: 1.5501173437551585
Energy: 1.1513063309160863
Energy: 1.5886119659672813
Energy: 1.1513063309181177
Energy: 1.3708445403382512
Energy: 1.0570591370097784
Energy: 1.058265061517414
Energy: 1.0570591370097784
Energy: 1.5486460219812204
Energy: 1.0966627965654907
Energy: 1.0581652174214633
Energy: 1.0966627965644749
Energy: 1.5961626811619987
Energy: 1.056844956206663
Energy: 1.058692589548544
Energy: 1.056844956206663
Energy: 1.598411259042097
Energy: 1.0590462634360662
Energy: 1.061947059128775
Energy: 1.0590462634370819
Energy: 1.320776655967201
Energy: 1.0571386255884767
Energy: 1.3199881453456528
Energy: 1.0571386255905084
Energy: 1.0554740051329388
Energy: 1.1366874702690524
Energy: 1.3195649995771679
Energy: 1.1366874702690524
Energy: 1.053524469303836
Energy: 1.0571664845884077
Energy: 1.315442987991242
Energy: 1.0571664845904394
Energy: 1.061367127618961
Energy: 1.0607475261518498
Energy: 1.327103785574057
Energy: 1.060747526150834
Energy: 1.0573327250162345
Energy: 1.0577103985342504
Energy: 1.5558297372940246
Energy: 1.057710398535266
Energy: 1.098277077763211
Energy: 1.057766933377422
Energy: 1.5887038540463607
Energy: 1.057766933377422
Energy: 1.0594931137822552
Energy: 1.1532447997723474
Energy: 1.5854801219538057
Energy: 1.1532447997713318
Energy: 1.3276308826454468
Energy: 1.1520705126394064
Energy: 1.3200950105310425
Energy: 1.1520705126404225
Energy: 1.3294811957059545
Energy: 1.0589228878424441
Energy: 1.059323037051442
Energy: 1.0589228878414283
Energy: 1.549503918530057
Energy: 1.0580555531581368
Energy: 1.0573800604396004
Energy: 1.0580555531601683
Energy: 1.5987593636194481
Energy: 1.058950010424203
Energy: 1.0588580720176972
Energy: 1.0589500104221714

minimum gb energy = 1.053524469303836 eV
minimum distance =  2.29203425338898 Angstroms
sigma value = 17


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

Energy: 1.7032192392679515
Energy: 1.0588969374843127
Energy: 1.2592368347542529
Energy: 1.051714401175409
Energy: 1.0381948245095205
Energy: 1.0329184437239887
Energy: 1.2032246220623246
Energy: 1.032918443722733
Energy: 1.3691300397314086
Energy: 1.3118113174854815
Energy: 1.203180630846108
Energy: 1.3118113174848536
Energy: 1.3710963960460871
Energy: 1.0901254784574144
Energy: 1.2050012198865045
Energy: 1.0901254784567864
Energy: 1.2081513643297677
Energy: 1.0366724975441066
Energy: 1.534389911757948
Energy: 1.0366724975453623
Energy: 1.038665569095157
Energy: 1.0362391553649948
Energy: 1.5096254168227239
Energy: 1.0362391553649948
Energy: 1.0464225400309648
Energy: 1.044851895258608
Energy: 1.0416777532076373
Energy: 1.0448518952573524
Energy: 1.0465358326379197
Energy: 1.046822614194263
Energy: 1.69675342365668
Energy: 1.0468226141948909
Energy: 1.5265026936149646
Energy: 1.0459977245773784
Energy: 1.0456569529620248
Energy: 1.0459977245780063
Energy: 1.2366111966951019
Energy: 1.0909626506098973
Energy: 1.2061121065963223
Energy: 1.0909626506098973
Energy: 1.3543752417584451
Energy: 1.0657742086590603
Energy: 1.0934486394126632
Energy: 1.0657742086584323
Energy: 1.517118411532193
Energy: 1.0356331438363968
Energy: 1.2021949503600349
Energy: 1.035633143835769
Energy: 1.520913705847162
Energy: 1.0384589118010308
Energy: 1.0457843784159635
Energy: 1.038458911800403
Energy: 1.1869403422065574
Energy: 1.0366040495599966
Energy: 1.0375578037586377
Energy: 1.0366040495599966
Energy: 1.3720066733626435
Energy: 1.0344007143220932
Energy: 1.0374909288307659
Energy: 1.0344007143227212
Energy: 1.6886124940147755
Energy: 1.0352436300715215
Energy: 1.1879498833520652
Energy: 1.0352436300708936
Energy: 1.0388132796810998
Energy: 1.035859821752987
Energy: 1.5364043864882755
Energy: 1.035859821752987
Energy: 1.0472250714735019
Energy: 1.0467391590982138
Energy: 1.3286447118443652
Energy: 1.0467391590982138
Energy: 1.038403248746049
Energy: 1.0327041527102008
Energy: 1.3235413162362406
Energy: 1.0327041527102008
Energy: 1.161934415654531
Energy: 1.0478770972006977
Energy: 1.7009789445222547
Energy: 1.0478770972006977
Energy: 1.2036979172211435
Energy: 1.0327660853695744
Energy: 1.2070382147114442
Energy: 1.03276608537083
Energy: 1.2037238833471446
Energy: 1.3110601245429998
Energy: 1.369738469833779
Energy: 1.3110601245429998
Energy: 1.2061355925527153
Energy: 1.090153257341639
Energy: 1.3697423346374367
Energy: 1.0901532573435224
Energy: 1.5365993768373636
Energy: 1.0414311529082976
Energy: 1.1657858967212484
Energy: 1.0414311529089253
Energy: 1.3403127055609876
Energy: 1.036096482169469
Energy: 1.0376601741843323
Energy: 1.0360964821700966
Energy: 1.1782285479538295
Energy: 1.044584669394181
Energy: 1.0466715003024665
Energy: 1.044584669394181
Energy: 1.6997221613137974
Energy: 1.047317225334694
Energy: 1.0478660289232504
Energy: 1.0473172253328105
Energy: 1.0437494079936367
Energy: 1.0911306665679203
Energy: 1.5264624668629097
Energy: 1.0911306665672926
Energy: 1.2056117133830873
Energy: 1.09077148953706
Energy: 1.2059399444657148
Energy: 1.09077148953706
Energy: 1.0936839583248457
Energy: 1.0648455581862128
Energy: 1.353787389823356
Energy: 1.0648455581862128
Energy: 1.2033113167127247
Energy: 1.0359544444681141
Energy: 1.5137670280847577
Energy: 1.0359544444681141
Energy: 1.037370266516611
Energy: 1.0366478245625195
Energy: 1.519216032617934
Energy: 1.0366478245631472
Energy: 1.0367019616987445
Energy: 1.0735985135763069
Energy: 1.1872368294374298
Energy: 1.0735985135763069
Energy: 1.0380555962113338
Energy: 1.034422736951377
Energy: 1.3736584695235061
Energy: 1.034422736951377
Energy: 1.3271292793799174
Energy: 1.0359483827697815
Energy: 1.68711930106167
Energy: 1.0359483827704095
Energy: 1.5350473189949778
Energy: 1.0350325608986086
Energy: 1.0394444103734477
Energy: 1.0350325608992361
Energy: 1.3275935095490166
Energy: 1.0747807515365013
Energy: 1.0750709203933457
Energy: 1.0747807515365013
Energy: 1.3263817729918546
Energy: 1.0337274849819096
Energy: 1.038979090762491
Energy: 1.0337274849831652

minimum gb energy = 1.0327041527102008 eV
minimum distance =  2.29169380116026 Angstroms
sigma value = 89


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

Energy: 2.0356170170168495
Energy: 0.922985883483555
Energy: 1.1219084290305994
Energy: 0.912774425889731
Energy: 0.9175011609486989
Energy: 1.0090716277208895
Energy: 0.9113812448748912
Energy: 1.0090716277225322
Energy: 0.9244293861560097
Energy: 1.0094673821535414
Energy: 0.9161119225590741
Energy: 1.0094673821650408
Energy: 0.9502906571676943
Energy: 1.024023920361807
Energy: 0.9165847200821003
Energy: 1.024023920361807
Energy: 0.9139493801365448
Energy: 0.9128241176982951
Energy: 0.9512792630812424
Energy: 0.9128241175603412
Energy: 0.9135547642864074
Energy: 0.9112596081080707
Energy: 0.9504865759161736
Energy: 0.9112596165267319
Energy: 0.9284940751358214
Energy: 0.9291612180825862
Energy: 0.9105836872722692
Energy: 0.9291612180825862
Energy: 0.9076112081390186
Energy: 0.9084163046286498
Energy: 0.9241977820888339
Energy: 0.9084163046352208
Energy: 0.9124935826329162
Energy: 0.92586339354904
Energy: 0.9360166182513204
Energy: 0.9258633935441117
Energy: 0.9175947446606385
Energy: 1.0106099370418957
Energy: 0.9144145409457242
Energy: 1.0106099370418957
Energy: 0.9186626188972018
Energy: 1.022865110710101
Energy: 0.951345506598312
Energy: 1.0228651106936737
Energy: 0.9506562650902143
Energy: 0.9107107171558102
Energy: 0.9145851736528388
Energy: 0.9107107173626852
Energy: 0.971159228181078
Energy: 0.9144731474731883
Energy: 0.9120175045321331
Energy: 0.9144731474649745
Energy: 0.9104238497607839
Energy: 0.9275912582611516
Energy: 0.9148631216820274
Energy: 0.9275912582677226
Energy: 0.9534222887190893
Energy: 0.9152149849501324
Energy: 0.906974601965543
Energy: 0.915214984868032

minimum gb energy = 0.906974601965543 eV
minimum distance =  2.29657138035478 Angstroms
sigma value = 13


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

Energy: 1.7673213338487341
Energy: 0.8481631229072185
Energy: 1.079510191161281
Energy: 0.8497519800418458
Energy: 1.7375347681424154
Energy: 0.8386275349806084
Energy: 1.0415990767163823
Energy: 0.8386275349894968
Energy: 1.589317428891697
Energy: 0.8428232113629042
Energy: 1.0382719383463468
Energy: 0.8428232113718552
Energy: 1.236700321822282
Energy: 0.8429945668441705
Energy: 1.0423165634650082
Energy: 0.8429945668427935
Energy: 1.2132834309292075
Energy: 0.8488398858782762
Energy: 1.4138920968654134
Energy: 0.8488398858817189
Energy: 1.0466386421800462
Energy: 0.8474394611851572
Energy: 1.4149701079326307
Energy: 0.8474394611830914
Energy: 1.0490355749996654
Energy: 0.8460892916302142
Energy: 1.211144674689229
Energy: 0.8460892916247059
Energy: 1.0491428501246376
Energy: 0.8498092212183705
Energy: 1.7465987259622968
Energy: 0.8498092212128622
Energy: 0.8431821872779062
Energy: 0.8413915123358613
Energy: 1.5612704588199482
Energy: 0.8413915123358613
Energy: 0.849301834845915
Energy: 0.8464526243499596
Energy: 1.357984909232312
Energy: 0.846452624354091
Energy: 0.8435026799530644
Energy: 0.8433785672110784
Energy: 1.5932171539982003
Energy: 0.8433785672138325
Energy: 1.4108832628971857
Energy: 0.905620477040302
Energy: 1.3574701728221803
Energy: 0.9056204770375479
Energy: 1.4105650559697385
Energy: 0.9016158630894475
Energy: 1.2120183692084496
Energy: 0.9016158630866935
Energy: 1.2124327962345374
Energy: 0.9047574346891138
Energy: 1.2336499919723234
Energy: 0.9047574346884253
Energy: 1.5610503616879434
Energy: 0.8418517651790314
Energy: 1.21657549693386
Energy: 0.8418517651728344
Energy: 1.5614197403636987
Energy: 0.842446887399688
Energy: 0.8457363770214941
Energy: 0.8424468874003765
Energy: 1.5590205372891057
Energy: 0.8446496147301316
Energy: 0.846782268152982
Energy: 0.8446496147335742
Energy: 1.5979443135905695
Energy: 0.8503189781618206
Energy: 0.8484293864117177
Energy: 0.8503189781618206
Energy: 1.5333103834143849
Energy: 0.8388579343046517
Energy: 1.0415936367044132
Energy: 0.8388579343032747
Energy: 1.4138687347064602
Energy: 0.8482398206315135
Energy: 1.0434447673123692
Energy: 0.8482398206322022
Energy: 1.3223881413647596
Energy: 0.8434223945184626
Energy: 1.0399856644253316
Energy: 0.8434223945143313
Energy: 1.2132138708966953
Energy: 0.8488252444458548
Energy: 1.4162136266597551
Energy: 0.848825244441035
Energy: 1.0461651028396175
Energy: 0.843091499076417
Energy: 1.4137797690506564
Energy: 0.8430914990743513
Energy: 0.8564993665187518
Energy: 0.8458212011441714
Energy: 1.2122013057170382
Energy: 0.8458212011496796
Energy: 1.0468061230509396
Energy: 0.8489806961412697
Energy: 1.7466594039892653
Energy: 0.8489806961447124
Energy: 0.8477404537171807
Energy: 0.8422761053724067
Energy: 1.7451303444311264
Energy: 0.8422761053710296
Energy: 0.849750313042734
Energy: 0.8457325724332732
Energy: 1.2137728831718595
Energy: 0.8457325724360273
Energy: 0.8428002274455674
Energy: 0.843067169409769
Energy: 1.5934352344635023
Energy: 0.8430671694042607
Energy: 1.2130560723013555
Energy: 0.8467829043793116
Energy: 1.5290597582192518
Energy: 0.8467829043765573
Energy: 1.0474067655611192
Energy: 0.9027666228230122
Energy: 1.2126636664184225
Energy: 0.9027666228230122
Energy: 1.211905113038162
Energy: 0.9042121430944312
Energy: 1.2335495024358711
Energy: 0.9042121430937426
Energy: 1.561261835364095
Energy: 0.8444187211952221
Energy: 1.214615397653224
Energy: 0.8444187211904024
Energy: 1.5608295320720211
Energy: 0.8409267538355494
Energy: 0.8437839324811321
Energy: 0.8409267538355494
Energy: 1.5603055917210744
Energy: 0.8483683641714458
Energy: 0.8512784347318715
Energy: 0.8483683641686915
Energy: 1.396869462923442
Energy: 0.8511274024751484
Energy: 0.8490586984984998
Energy: 0.85112740247446

minimum gb energy = 0.8386275349806084 eV
minimum distance =  2.32204546413423 Angstroms
sigma value = 37


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

Energy: 1.5373806889725952
Energy: 0.7226336913149188
Energy: 0.6997941999143514
Energy: 0.7092605701423107
Energy: 1.6701681500693788
Energy: 0.7055647402288313
Energy: 1.0570559323493172
Energy: 0.7055647402240928
Energy: 1.408162670576576
Energy: 0.7146741872157221
Energy: 1.050179025500894
Energy: 0.7146741872145375
Energy: 1.3991850635195593
Energy: 0.814940787269083
Energy: 1.0550435629524475
Energy: 0.8149407872856407
Energy: 1.3983058946020255
Energy: 0.8126354970843126
Energy: 1.07662070750697
Energy: 0.8126354969682751
Energy: 0.8923279203841196
Energy: 0.712406838692159
Energy: 1.3307373580607764
Energy: 0.7124068387548894
Energy: 0.7282026189515836
Energy: 0.7133420659356379
Energy: 1.3967957437295724
Energy: 0.7133420659273457
Energy: 0.7121654964845849
Energy: 0.7019955356582729
Energy: 1.6729685815685515
Energy: 0.7019955263632347
Energy: 0.7125880405487443
Energy: 0.7113920873807558
Energy: 1.6768066821369985
Energy: 0.7113920873807558
Energy: 0.7181986512318667
Energy: 0.7065200282758662
Energy: 1.6418262431005115
Energy: 0.7065200282793932
Energy: 0.6997886880818508
Energy: 0.7092607253254867
Energy: 1.53738068897378
Energy: 0.722633691987452
Energy: 1.0570559323351287
Energy: 0.7055647402181698
Energy: 1.5366114331492366
Energy: 0.7055647402359119
Energy: 1.0501790256406236
Energy: 0.7146741872157221
Energy: 1.4081626705753914
Energy: 0.7146741872157221
Energy: 1.0550435622467182
Energy: 0.8149407872856407
Energy: 1.3991850635183745
Energy: 0.8149407872832715
Energy: 1.07662070750697
Energy: 0.812635497077205
Energy: 1.3983058946008406
Energy: 0.8126354971470698
Energy: 1.500135389677507
Energy: 0.7124068386554363
Energy: 0.7236564012431076
Energy: 0.7124068387324087
Energy: 1.3967957438254985
Energy: 0.7133420659332688
Energy: 0.7282026189515836
Energy: 0.7133420659261611
Energy: 1.672968581569709
Energy: 0.7019955469579336
Energy: 0.71216549652365
Energy: 0.7019955295318404
Energy: 1.6768066821358139
Energy: 0.7113920873807558
Energy: 0.7125880405333443
Energy: 0.7113920873807558
Energy: 1.6701686408007237
Energy: 0.706520028282947
Energy: 0.718198651230682
Energy: 0.7065200282817624

minimum gb energy = 0.6997886880818508 eV
minimum distance =  2.30618261420086 Angstroms
sigma value = 25


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

Energy: 1.7123790690855794
Energy: 0.6128770635903753
Energy: 0.6107024611172421
Energy: 0.6093630529600426
Energy: 1.7122745280313403
Energy: 0.6141652138986592
Energy: 0.8930350580692026
Energy: 0.6141652138968092
Energy: 1.7118511961451803
Energy: 0.6155277986178179
Energy: 0.8927776546023926
Energy: 0.6155277986168928
Energy: 1.278423895266671
Energy: 0.6108560095480083
Energy: 1.0079908402228897
Energy: 0.6108560095498585
Energy: 1.6078775236299767
Energy: 0.6908650505480636
Energy: 1.3763960085486864
Energy: 0.6908650505480636
Energy: 1.2756894380077575
Energy: 0.6889510037272516
Energy: 1.3802470558025637
Energy: 0.6889510037235517
Energy: 1.2723447049448044
Energy: 0.6148301968055571
Energy: 1.488681567233682
Energy: 0.6148301968083321
Energy: 1.1376025600640842
Energy: 0.6117803401479848
Energy: 1.4947486942509063
Energy: 0.6117803401507599
Energy: 0.8715416362011593
Energy: 0.614633920029236
Energy: 1.8079435253198688
Energy: 0.6146339200273859
Energy: 0.8652237298576251
Energy: 0.6137441678853502
Energy: 1.604455893178603
Energy: 0.6137441678835002
Energy: 0.7458347391245713
Energy: 0.6086659453330842
Energy: 1.6784113747698781
Energy: 0.6086659453386342
Energy: 0.7513661084304015
Energy: 0.6145177889475967
Energy: 1.6048663554723845
Energy: 0.6145177889466716
Energy: 0.750233560616506
Energy: 0.6128310185682134
Energy: 1.9167995854420978
Energy: 0.6128310185682134
Energy: 1.0278931156033217
Energy: 0.6056624530852018
Energy: 1.6068847601245202
Energy: 0.6056624530861267
Energy: 1.0255371487222038
Energy: 0.6140530208091891
Energy: 1.6039517359595676
Energy: 0.6140530208110392
Energy: 1.0246397792372115
Energy: 0.6140820701428835
Energy: 1.7105380797333973
Energy: 0.6140820701438086
Energy: 1.3635647173409413
Energy: 0.6132663304755508
Energy: 1.7077165801788075
Energy: 0.6132663304755508
Energy: 1.0657674745758594
Energy: 0.6878955118568386
Energy: 1.2649003217873525
Energy: 0.6878955118586466
Energy: 1.360304210642531
Energy: 0.6891095847272242
Energy: 1.2727383141704167
Energy: 0.6891095847272242
Energy: 1.607412214642107
Energy: 0.6886948306294755
Energy: 1.2734276247137055
Energy: 0.6886948306257753
Energy: 1.4937704930957136
Energy: 0.892521710152667
Energy: 0.8858767222304573
Energy: 0.8925217101517419
Energy: 1.6059022786563606
Energy: 0.6154813454713227
Energy: 0.7670150918314041
Energy: 0.6154813454713227
Energy: 1.924386648303129
Energy: 0.612405931935465
Energy: 0.8893977741118331
Energy: 0.6124059319345398
Energy: 1.5009857439385996
Energy: 0.6136313348410424
Energy: 0.6100642435369988
Energy: 0.6136313348419675
Energy: 1.7069314464050152
Energy: 0.6140553223320652
Energy: 0.6160612865102847
Energy: 0.6140553223302153
Energy: 1.7165599168316648
Energy: 0.6139182607484591
Energy: 0.6130385182246842
Energy: 0.613918260750309

minimum gb energy = 0.6056624530852018 eV
minimum distance =  2.33279475302576 Angstroms
sigma value = 41


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

Energy: 1.7284195709868007
Energy: 0.5273219312453329
Energy: 0.7938159226285744
Energy: 0.5229854913763134
Energy: 1.7263165115843335
Energy: 0.53502673106005
Energy: 0.7634304330641124
Energy: 0.53502673106005
Energy: 1.7272211454833342
Energy: 0.535813331085824
Energy: 0.768423226532612
Energy: 0.5358133310843073
Energy: 1.3656612697865922
Energy: 0.5296414380811123
Energy: 1.1744859529128215
Energy: 0.5296414380818706
Energy: 1.7302523158395666
Energy: 0.5345704295631757
Energy: 1.1751533387412223
Energy: 0.5345704295631757
Energy: 1.3619123144606002
Energy: 0.5938107907736301
Energy: 1.1743567217468012
Energy: 0.5938107907690798
Energy: 1.3612103404513243
Energy: 0.5905910010801857
Energy: 1.5452558411782926
Energy: 0.5905910010794274
Energy: 1.359777746389936
Energy: 0.5900399919518514
Energy: 1.1796823492637674
Energy: 0.590039991951093
Energy: 0.9964791117116124
Energy: 0.5376851891129343
Energy: 1.5416537179929226
Energy: 0.537685189112176
Energy: 0.996780469571125
Energy: 0.5346613579916923
Energy: 1.7248917340725867
Energy: 0.5346613579886589
Energy: 0.7572699271726597
Energy: 0.5267823832866578
Energy: 1.545027336876174
Energy: 0.5267823832858995
Energy: 0.7624336610319586
Energy: 0.5357997021386237
Energy: 1.7250868133425654
Energy: 0.5357997021393821
Energy: 0.7630871429803465
Energy: 0.5328986719903833
Energy: 1.9028824015500996
Energy: 0.5328986719911417
Energy: 0.5298963223428802
Energy: 0.5331500799427104
Energy: 1.5495579994348443
Energy: 0.533150079941952
Energy: 0.5349991278946379
Energy: 0.5356069235256823
Energy: 1.7267895692992048
Energy: 0.535606923524924
Energy: 0.5330854441745055
Energy: 0.5343803199527504
Energy: 1.7315324863051105
Energy: 0.5343803199535087
Energy: 0.7597116188981656
Energy: 0.5305960270729384
Energy: 1.7306357012720832
Energy: 0.5305960270714907
Energy: 0.7664205669211515
Energy: 0.5358739741013382
Energy: 1.7256140510094413
Energy: 0.5358739741013382
Energy: 0.7607735588936624
Energy: 0.5329262825178087
Energy: 1.3666334372009294
Energy: 0.5329262825170504
Energy: 1.1756430852913824
Energy: 0.5339838482587219
Energy: 1.3676059554828839
Energy: 0.5339838482602387
Energy: 1.170790945347512
Energy: 0.5341442378309811
Energy: 1.5412111517173934
Energy: 0.5341442378317394
Energy: 1.1731566153938404
Energy: 0.5910890080557164
Energy: 1.3604690027542177
Energy: 0.5910890080564748
Energy: 1.5429079241703514
Energy: 0.5915427639087649
Energy: 1.3633377733590275
Energy: 0.5915427639095233
Energy: 1.1798650527315764
Energy: 0.5930666354759218
Energy: 1.1741412813322512
Energy: 0.5930666354751631
Energy: 1.5432630116198323
Energy: 0.5341620247948848
Energy: 0.9897631094111546
Energy: 0.5341620248502457
Energy: 1.5469889419639011
Energy: 0.5340976194942008
Energy: 1.1751531907321109
Energy: 0.5340976194942008
Energy: 1.5452744591876073
Energy: 0.532796371699354
Energy: 0.7585431261352418
Energy: 0.5327963717001124
Energy: 1.7278076505814883
Energy: 0.5359968856010584
Energy: 0.7639000200245069
Energy: 0.5359968856010584
Energy: 1.549678838473258
Energy: 0.5315603457630134
Energy: 0.7605561970066761
Energy: 0.531560345762255
Energy: 1.5516202370021464
Energy: 0.5319208001940132
Energy: 0.5348026783345093
Energy: 0.5319208001947716
Energy: 1.7262513387551055
Energy: 0.5360755883931033
Energy: 0.5367276383727894
Energy: 0.536075588392345
Energy: 1.7287661255031128
Energy: 0.5274248315174522
Energy: 0.5298447184249218
Energy: 0.5274248315182107

minimum gb energy = 0.5229854913763134 eV
minimum distance =  2.34176679754785 Angstroms
sigma value = 15


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

Energy: 1.5071991207691433
Energy: 0.4743748029860083
Energy: 0.7536875282906833
Energy: 0.4691416053636488
Energy: 1.813769469151304
Energy: 0.4795109526155212
Energy: 0.6765271673883174
Energy: 0.47951095261616355
Energy: 1.8135792040568592
Energy: 0.48051071496562037
Energy: 0.6821558103449669
Energy: 0.48051071496562037
Energy: 1.5046997332832959
Energy: 0.47866392408207836
Energy: 1.0258941512259825
Energy: 0.47866392408143593
Energy: 1.8155116083341725
Energy: 0.4802326465055645
Energy: 1.0309208480897516
Energy: 0.480232646506207
Energy: 1.5018389469551994
Energy: 0.4802653484878847
Energy: 1.0280216002903726
Energy: 0.4802653484416288
Energy: 1.1936467150569023
Energy: 0.8150963411924194
Energy: 1.3441378987052564
Energy: 0.8150963411911344
Energy: 1.5015396028770087
Energy: 0.5302051987656043
Energy: 1.047634645466122
Energy: 0.530205198764962
Energy: 1.1874903264495882
Energy: 0.531598309814408
Energy: 1.3421897491289017
Energy: 0.5315983098266144
Energy: 1.1879178431263309
Energy: 0.8149625718744532
Energy: 1.6576096780877336
Energy: 0.8149625718879444
Energy: 1.0258303139519136
Energy: 0.48442117247910427
Energy: 1.3466012315586333
Energy: 0.48442117247974675
Energy: 0.8766681769644761
Energy: 0.4797738920037235
Energy: 1.656993560898818
Energy: 0.47977389200436593
Energy: 1.0330567114286375
Energy: 0.48071557132813514
Energy: 1.6593566492605925
Energy: 0.48071557133327464
Energy: 0.672886765390865
Energy: 0.4791067923465882
Energy: 1.3476952022210589
Energy: 0.4791067923465882
Energy: 0.6779799108350488
Energy: 0.479958715619748
Energy: 1.8145146480952377
Energy: 0.4799587156203905
Energy: 0.675681469987184
Energy: 0.4785750989217222
Energy: 1.6624824442649118
Energy: 0.47857509892043726
Energy: 0.47583706342734944
Energy: 0.4783108748085937
Energy: 1.6608863859675347
Energy: 0.47831087480987855
Energy: 0.48066529989723905
Energy: 0.4810234663653807
Energy: 1.8145615031256808
Energy: 0.4810234663647383
Energy: 0.47649470728880355
Energy: 0.4798612864677916
Energy: 1.5066899189347425
Energy: 0.4798612864690765
Energy: 0.674762300794897
Energy: 0.48075596405953175
Energy: 1.815552859840914
Energy: 0.4807559640601742
Energy: 0.6888659307437047
Energy: 0.47970722846883074
Energy: 1.814737225538371
Energy: 0.47970722846883074
Energy: 0.6708175323121882
Energy: 0.47931347200518115
Energy: 1.5042886401184699
Energy: 0.47931347200518115
Energy: 1.0289623571027449
Energy: 0.4804625640714022
Energy: 1.5047289345075139
Energy: 0.48046256407011734
Energy: 1.031731799512584
Energy: 0.48041503214585074
Energy: 1.659046828539695
Energy: 0.4804150321471356
Energy: 1.0242486059696354
Energy: 0.4853475939791114
Energy: 1.1919080755630527
Energy: 0.4853475939810387
Energy: 1.3427652586138374
Energy: 0.8155287566383975
Energy: 1.6592997563705787
Energy: 0.815528756637755
Energy: 1.0352934329351737
Energy: 0.5317001172868254
Energy: 1.3451107116736674
Energy: 0.5317001172855406
Energy: 1.341119279273123
Energy: 0.5297784700219775
Energy: 1.186652223459842
Energy: 0.5297784699917828
Energy: 1.3460337921638874
Energy: 0.8154764546004961
Energy: 1.345717128557075
Energy: 0.8154764545940717
Energy: 1.345840972811144
Energy: 0.4805687641567061
Energy: 1.031810310613065
Energy: 0.48056876416056066
Energy: 1.6564470622402399
Energy: 0.47999585823743923
Energy: 0.8773086000945616
Energy: 0.47999585823743923
Energy: 1.348200105546956
Energy: 0.4796054021356352
Energy: 1.0274469504701562
Energy: 0.47960540213627767
Energy: 1.6590695083472193
Energy: 0.4808940444344869
Energy: 0.6769508933246192
Energy: 0.4808940444338445
Energy: 1.814861556306391
Energy: 0.47951922282127846
Energy: 0.6787411427363599
Energy: 0.47951922282127846
Energy: 1.6604859780251666
Energy: 0.47815926848131773
Energy: 0.6683571938462219
Energy: 0.47815926848131773
Energy: 1.8158262902804718
Energy: 0.4801237782567318
Energy: 0.4786756512912593
Energy: 0.4801237782567318
Energy: 1.8172068640447192
Energy: 0.47937217418958183
Energy: 0.4788804575128635
Energy: 0.47937217418958183

minimum gb energy = 0.4691416053636488 eV
minimum distance =  2.3493387175783 Angstroms
sigma value = 85


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

Energy: 1.6555920851803956
Energy: 0.37722974398399844
Energy: 0.42962064902012265
Energy: 0.42316381823657356
Energy: 1.832057916241864
Energy: 0.38164242705036483
Energy: 0.5685469014481794
Energy: 0.381642427050922
Energy: 1.6626199632381076
Energy: 0.3842723318392061
Energy: 0.5675917638553937
Energy: 0.38427233183864895
Energy: 1.370875067177417
Energy: 0.38055373507489426
Energy: 0.8849198051313808
Energy: 0.38055373507433704
Energy: 1.806705557452806
Energy: 0.3832698021966639
Energy: 0.9001808839027521
Energy: 0.3832698021955495
Energy: 1.3823045768714723
Energy: 0.38407984433291353
Energy: 0.8925909409327543
Energy: 0.3840798443356995
Energy: 1.3814311480322217
Energy: 0.3836977046342468
Energy: 1.176520621860662
Energy: 0.3836977046782396
Energy: 1.571635564181321
Energy: 0.3818121665695227
Energy: 0.965266016706479
Energy: 0.3818121665494892
Energy: 1.385127180327588
Energy: 0.7357022440114119
Energy: 1.176983026825391
Energy: 0.7357022440437291
Energy: 1.3859236108978608
Energy: 0.9998834660640386
Energy: 1.4540505779164519
Energy: 0.999883466062367
Energy: 1.1745410059737955
Energy: 0.7334785828736744
Energy: 1.240793242383222
Energy: 0.7334785828747888
Energy: 1.1055895729367122
Energy: 0.3792510385295289
Energy: 1.4531010907215403
Energy: 0.3792510384097833
Energy: 1.178532017095963
Energy: 0.3806635458287018
Energy: 1.52519464236725
Energy: 0.3806635455847785
Energy: 0.8865642001453187
Energy: 0.37962387030998307
Energy: 1.2339650406989777
Energy: 0.3796238703116547
Energy: 0.8375120388505752
Energy: 0.37930677433147025
Energy: 1.7168887571782847
Energy: 0.3793067743292414
Energy: 0.8905239528687021
Energy: 0.37955213329789045
Energy: 1.5211116965122957
Energy: 0.37955213329900483
Energy: 0.5463202972890033
Energy: 0.37776909612473586
Energy: 1.519474635930222
Energy: 0.3777690961252931
Energy: 0.5523373653367613
Energy: 0.38091484268213893
Energy: 1.7800155571841292
Energy: 0.3809148426832533
Energy: 0.5434648030126641
Energy: 0.38203989770942964
Energy: 1.7958668000928895
Energy: 0.38203989772166247
Energy: 0.4731748997492499
Energy: 0.37965047028740295
Energy: 1.7971739072527397
Energy: 0.37965047028851734
Energy: 0.4731088429399049
Energy: 0.37625868575309956
Energy: 1.8221236110214074
Energy: 0.3762586857525423
Energy: 0.4677258349992283
Energy: 0.37455068867909375
Energy: 1.5876480926177183
Energy: 0.37455068867909375
Energy: 0.6542496772472551
Energy: 0.37757387266735026
Energy: 1.859030283357367
Energy: 0.37757387266735026
Energy: 0.6599189578197597
Energy: 0.378207235394249
Energy: 1.846613058543758
Energy: 0.3782072353925774
Energy: 0.6403289500749804
Energy: 0.3761869253627074
Energy: 1.3690557659827254
Energy: 0.3761869253632646
Energy: 0.8782894277737302
Energy: 0.3799142832828859
Energy: 1.8456054053165494
Energy: 0.37991428328455745
Energy: 0.8790798835343416
Energy: 0.3795438316623912
Energy: 1.656364435791316
Energy: 0.37954383166071964
Energy: 1.174780135628686
Energy: 0.37771303389541616
Energy: 1.3792193453185775
Energy: 0.3777130338898443
Energy: 1.1781999347297112
Energy: 0.37783727930223715
Energy: 1.6529407327977408
Energy: 0.3778372793061375
Energy: 1.1785193840095118
Energy: 0.3779592464966862
Energy: 1.3861689339797862
Energy: 0.37795924644433554
Energy: 1.4545901885401171
Energy: 0.5158103042664621
Energy: 1.0966918171867013
Energy: 0.5158103042859639
Energy: 1.2433402296474987
Energy: 0.6347302360507289
Energy: 1.3843596098558992
Energy: 0.634730236051286
Energy: 1.4537418633401318
Energy: 0.3837692397055146
Energy: 1.1051788087102314
Energy: 0.38376923970607174
Energy: 1.7199663525512787
Energy: 0.3828365151122714
Energy: 1.1058942381165522
Energy: 0.3828365151234152
Energy: 1.2332645192816085
Energy: 0.38220236165405924
Energy: 1.099759838777866
Energy: 0.382202364508401
Energy: 1.7184514135586435
Energy: 0.38333799534572044
Energy: 0.8957859348928097
Energy: 0.38333799535352114
Energy: 1.792511499736865
Energy: 0.3841358166853198
Energy: 0.8937282806955954
Energy: 0.38413581668810576
Energy: 1.5177275943636823
Energy: 0.3798911941494927
Energy: 0.5608218387624839
Energy: 0.3798911941483782
Energy: 1.8269571810811698
Energy: 0.3838275293488898
Energy: 0.5738656486573542
Energy: 0.38382752934944697
Energy: 1.798544491872488
Energy: 0.3815081269864642
Energy: 0.5664378738349105
Energy: 0.38150812698534986
Energy: 1.5103098472901324
Energy: 0.38118349390848144
Energy: 0.38388175664844515
Energy: 0.38118349390903866
Energy: 1.8278178312631768
Energy: 0.38296424139227786
Energy: 0.38453607468641815
Energy: 0.38296424139227786
Energy: 1.6584534200383063
Energy: 0.38263907715248413
Energy: 0.3828334941454098
Energy: 0.38263907715359846

minimum gb energy = 0.37455068867909375 eV
minimum distance =  2.3163168511346 Angstroms
sigma value = 113


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

Energy: 0.017805906526924757
Energy: 0.01862581887732427
Energy: 1.4197947660985106
Energy: 0.4426265724509374
Energy: 0.027508916310072122
Energy: 0.11493704809913523
Energy: 1.0279059727209545
Energy: 0.11493704809951596
Energy: 0.02544264308286609
Energy: 0.11820947982381794
Energy: 0.877272626140801
Energy: 0.11820947982300883
Energy: 0.01910034912219731
Energy: 0.1168270572335058
Energy: 0.8907953184596134
Energy: 0.11682705723307746
Energy: 0.9165954995944281
Energy: 0.11428125659191249
Energy: 1.1100808749635822
Energy: 0.11428125659148415
Energy: 0.024250767904023685
Energy: 0.11973404633891567
Energy: 0.8971280169287587
Energy: 0.119734046339344

minimum gb energy = 0.017805906526924757 eV
minimum distance =  2.48799823631177 Angstroms
sigma value = 1