Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_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=3.611098513007164
cohesive_energy=4.242432836277799
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016431903877651307
Energy: 0.01708629191024721
Energy: 1.148686986332834
Energy: 0.01708629191024721
Energy: 0.01708629191087578
Energy: 1.2128735713517225
Energy: 0.01708629191024721
Energy: 1.212873571352351
Energy: 1.148686986331612
Energy: 0.01708629191087578
Energy: 0.016431903877651307
Energy: 0.01708629191024721
Energy: 0.01708629191087578
Energy: 1.2128735713517225
Energy: 0.01708629191024721
Energy: 1.212873571352351

minimum gb energy = 0.016431903877651307 eV
minimum distance =  2.48771666383473 Angstroms
sigma value = 1


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

Energy: 0.9933409314294982
Energy: 1.0975913474643322
Energy: 0.8421459392829251
Energy: 1.09759134746357
Energy: 0.9563090420751481
Energy: 1.0880204098886437
Energy: 0.9569185144268502
Energy: 1.0880204098886437
Energy: 0.9005493971692229
Energy: 1.0848125431250266
Energy: 0.9473572079804385
Energy: 1.0848125431250266
Energy: 0.9372325618949778
Energy: 1.1063800414616791
Energy: 0.9478289105567055
Energy: 1.1063800414609168
Energy: 0.9418497404611156
Energy: 1.1006009994217012
Energy: 0.9470389731985187
Energy: 1.1006009994224635
Energy: 0.8945613230327903
Energy: 1.2905231318508381
Energy: 0.926921902759334
Energy: 1.2905231318508381
Energy: 0.9599840959581403
Energy: 1.0859256381711402
Energy: 0.8964299814474834
Energy: 1.0859256381703781
Energy: 0.8170844242633174
Energy: 1.098826479186822
Energy: 0.9166900611750486
Energy: 1.098826479186822
Energy: 0.94955618925404
Energy: 0.9530351800716768
Energy: 0.948394425829225
Energy: 0.9530351800693898
Energy: 0.9289896518601591
Energy: 1.0850920027096025
Energy: 0.8017823499512996
Energy: 1.0850920027096025
Energy: 0.9461011959041014
Energy: 1.0447315557680903
Energy: 0.9475235030704938
Energy: 1.0447315557673278
Energy: 0.900135775534509
Energy: 1.0987069914183851
Energy: 0.9436879142962978
Energy: 1.0987069914191474
Energy: 0.9567317808085865
Energy: 1.0844062455666856
Energy: 0.9591324894599284
Energy: 1.0844062455682102
Energy: 0.9587222931400793
Energy: 1.092229873605108
Energy: 0.9430436347221811
Energy: 1.0922298736058702
Energy: 0.9519167823460094
Energy: 1.098327544878312
Energy: 0.949350766463316
Energy: 1.0983275448790741
Energy: 0.94957456843382
Energy: 1.097849436611003
Energy: 0.9492628534862737
Energy: 1.097849436611003
Energy: 0.9478282032989861
Energy: 1.084773462287241
Energy: 0.8746470853924672
Energy: 1.0847734622864789
Energy: 0.9583028715965732
Energy: 1.0840154689968124
Energy: 0.9565061039531598
Energy: 1.0840154689968124
Energy: 0.8576016662084538
Energy: 1.0992510089458807
Energy: 0.9482741178615738
Energy: 1.099251008946643
Energy: 0.9616567290668432
Energy: 0.9528384875425879
Energy: 0.9494068365669109
Energy: 0.9528384875425879
Energy: 0.9261523375373603
Energy: 1.0846549331734128
Energy: 0.8351867466006994
Energy: 1.084654933174175
Energy: 0.9480251737016074
Energy: 1.1066362851634959
Energy: 0.9406140094822736
Energy: 1.1066362851619713
Energy: 0.9489905229332494
Energy: 1.100859279174951
Energy: 0.8797244238150453
Energy: 1.1008592791741885
Energy: 0.9350975288947238
Energy: 1.0845187982495388
Energy: 0.8956255396956313
Energy: 1.0845187982487765
Energy: 0.896573031973707
Energy: 1.293949178134136
Energy: 0.9595280496636901
Energy: 1.293949178134136
Energy: 0.9377154123175074
Energy: 1.0991383305965658
Energy: 0.8806263352817538
Energy: 1.0991383305965658
Energy: 0.9392191734381544
Energy: 1.088926538222386
Energy: 0.9472226710768541
Energy: 1.088926538222386
Energy: 0.8701780578136211
Energy: 1.083932876716057
Energy: 0.9484709893662772
Energy: 1.083932876716057
Energy: 0.9543488756039391
Energy: 1.0947322453089745
Energy: 0.9517430764689152
Energy: 1.0947322453089745
Energy: 0.9630951008411851
Energy: 1.0983419841471702
Energy: 0.9001175257533836
Energy: 1.0983419841464077
Energy: 0.96026047473164
Energy: 1.0910485810434634
Energy: 0.9549369562393706
Energy: 1.0910485810434634
Energy: 0.9402971839692802
Energy: 1.0857648069489096
Energy: 0.9587729473191523
Energy: 1.0857648069489096
Energy: 0.9410869459342144
Energy: 1.1063816895184704
Energy: 0.9499255138087535
Energy: 1.1063816895192327

minimum gb energy = 0.8017823499512996 eV
minimum distance =  2.28020440906634 Angstroms
sigma value = 1


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

Energy: 1.0633147993997751
Energy: 1.184058262285457
Energy: 0.9424602613779747
Energy: 1.184058262286326
Energy: 1.0096054348127135
Energy: 1.121528752714139
Energy: 1.0110601281365759
Energy: 1.12152875271327
Energy: 0.9278878036803627
Energy: 1.183288717851056
Energy: 1.020870947689364
Energy: 1.1832887178501867
Energy: 1.0030552461423068
Energy: 1.1039902665010726
Energy: 0.9530540252846283
Energy: 1.1039902664993342
Energy: 1.0036169974893596
Energy: 1.1610780284299222
Energy: 0.9668808954728834
Energy: 1.1610780284273148
Energy: 0.9889778168390672
Energy: 1.1610759017919117
Energy: 0.9296057161264748
Energy: 1.1610759017919117
Energy: 1.0093944560150914
Energy: 1.1123069812764745
Energy: 1.015892657574748
Energy: 1.112306981278213
Energy: 0.8538826719697138
Energy: 1.183365713332598
Energy: 0.9596877486816203
Energy: 1.1833657133343365
Energy: 1.003798088358837
Energy: 1.0258965991086861
Energy: 1.0154584408442964
Energy: 1.025896599102602
Energy: 1.0066531787730582
Energy: 1.1833210023320169
Energy: 0.9123378853509576
Energy: 1.1833210023320169
Energy: 1.0091111063864335
Energy: 1.1048117850664196
Energy: 1.0115309008778095
Energy: 1.1048117850646813
Energy: 0.9305016643777853
Energy: 1.1720878198468516
Energy: 1.0139200188667647
Energy: 1.1720878198468516
Energy: 1.0291167391449623
Energy: 1.1615653992774024
Energy: 0.9939173443137579
Energy: 1.1615653992774024
Energy: 1.0220009975349438
Energy: 1.1615516283295055
Energy: 1.002414680177749
Energy: 1.1615516283303746
Energy: 0.9305592957813981
Energy: 1.1719660431408647
Energy: 1.0137577847080739
Energy: 1.1719660431408647
Energy: 1.0092613523372402
Energy: 1.1049830405723209
Energy: 1.0158805242397404
Energy: 1.1049830405705827
Energy: 1.0069959830998512
Energy: 1.1832768998671612
Energy: 0.8915039153196292
Energy: 1.1832768998662921
Energy: 1.0037354928697697
Energy: 1.0263490283288839
Energy: 1.0156581801377285
Energy: 1.0263490283262762
Energy: 0.853651448799188
Energy: 1.1835065615625717
Energy: 0.9600343377159356
Energy: 1.1835065615625717
Energy: 1.0091835989496625
Energy: 1.1056729823392943
Energy: 0.9528520205508991
Energy: 1.1056729823401636
Energy: 0.9884985854920969
Energy: 1.1613390852340615
Energy: 0.9990103542029357
Energy: 1.1613390852340615
Energy: 1.0035959460391615
Energy: 1.161054158640525
Energy: 0.9986666206696763
Energy: 1.161054158640525
Energy: 1.0039463804125355
Energy: 1.103876484043429
Energy: 1.0162826735913417
Energy: 1.10387648404256
Energy: 0.9278261574391521
Energy: 1.1830260463068158
Energy: 1.0210491020399914
Energy: 1.1830260463050772
Energy: 1.0096116813082872
Energy: 1.1211134100047384
Energy: 1.0110132794139046
Energy: 1.121113410003869
Energy: 1.0633147994015135
Energy: 1.184058262285457
Energy: 0.9433326255604837
Energy: 1.184058262286326
Energy: 1.0096054348135826
Energy: 1.121528752714139
Energy: 1.0110601281365759
Energy: 1.12152875271327
Energy: 0.9278878036803627
Energy: 1.183288717851056
Energy: 1.0054627245362286
Energy: 1.1832887178493174
Energy: 1.003055246143176
Energy: 1.1039902665010726
Energy: 0.9446461402164807
Energy: 1.1039902665002033

minimum gb energy = 0.853651448799188 eV
minimum distance =  2.27617941416164 Angstroms
sigma value = 25


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

Energy: 1.1335141103515467
Energy: 1.2584210959006201
Energy: 0.9643304822722577
Energy: 1.2584210959006201
Energy: 1.101242793587247
Energy: 1.18733943315298
Energy: 1.08910929479245
Energy: 1.1873394331539906
Energy: 1.0012139276922436
Energy: 1.2896024878062158
Energy: 1.0933297095896906
Energy: 1.2896024878062158
Energy: 1.0732678702400873
Energy: 1.2134086773568522
Energy: 1.023832666196162
Energy: 1.2134086773568522
Energy: 1.0239098927630819
Energy: 1.2571324020674288
Energy: 1.0151241637214934
Energy: 1.2571324020674288
Energy: 1.0795104528539443
Energy: 1.290364078819914
Energy: 1.0997148084761506
Energy: 1.290364078819914
Energy: 1.1024196347862982
Energy: 1.0984179821445472
Energy: 1.0584143780190889
Energy: 1.0984179821445472
Energy: 1.0203524363883854
Energy: 1.2623381350829566
Energy: 0.9484070905946212
Energy: 1.2623381350839673
Energy: 1.0585761048558062
Energy: 1.1864401200416559
Energy: 1.1025040869954035
Energy: 1.1864401200426662
Energy: 1.0969028351609977
Energy: 1.29024355600576
Energy: 1.006793391493468
Energy: 1.29024355600576
Energy: 1.0785118628722077
Energy: 1.2581019055628717
Energy: 1.0895574938227695
Energy: 1.2581019055628717
Energy: 1.0301665572837324
Energy: 1.2597419275531232
Energy: 1.088793489244229
Energy: 1.2597419275531232
Energy: 1.092663806528049
Energy: 1.209476760653102
Energy: 1.006888097439563
Energy: 1.209476760653102
Energy: 1.0574758315849822
Energy: 1.1001318428156732
Energy: 1.1010247224102356
Energy: 1.1001318428146627
Energy: 0.9898693949454864
Energy: 1.258273605199623
Energy: 0.946121569007566
Energy: 1.258273605199623
Energy: 1.0898704366521543
Energy: 1.0984401554606114
Energy: 1.025283741617559
Energy: 1.0984401554606114
Energy: 0.9161392163600186
Energy: 1.2897500142373606
Energy: 0.9164053120423854
Energy: 1.2897500142373606
Energy: 1.0240825780406277
Energy: 1.2584831332610456
Energy: 1.075617085410753
Energy: 1.2584831332600352
Energy: 1.0074397470377094
Energy: 1.213684977473318
Energy: 1.0242576957499496
Energy: 1.213684977473318
Energy: 1.0982903770755104
Energy: 1.2896646095998212
Energy: 1.0937251762918891
Energy: 1.2896646095998212
Energy: 1.1076667804612679
Energy: 1.186652516319104
Energy: 1.0909152535619187
Energy: 1.186652516319104
Energy: 1.1292304223328415
Energy: 1.2599687714729901
Energy: 1.0491423177763488
Energy: 1.2599687714729901
Energy: 1.100225867322321
Energy: 1.1933846302921005
Energy: 1.0894934549973072
Energy: 1.1933846302921005
Energy: 0.9993352146521618
Energy: 1.294131069609861
Energy: 1.0971432423971155
Energy: 1.2941310696108714
Energy: 1.0890654402807851
Energy: 1.1140410951311506
Energy: 1.0237989306208652
Energy: 1.1140410951311506

minimum gb energy = 0.9161392163600186 eV
minimum distance =  2.28010009271868 Angstroms
sigma value = 9


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

Energy: 1.285208684549258
Energy: 1.22893825758688
Energy: 1.0633826205198316
Energy: 1.22893825758688
Energy: 1.1527635175176876
Energy: 1.3031180239002087
Energy: 1.1907938600393015
Energy: 1.3031180238990032
Energy: 1.0842344437095288
Energy: 1.2267526862046425
Energy: 1.108041817055789
Energy: 1.2267526862058478
Energy: 1.2146977203631033
Energy: 1.372874300044181
Energy: 1.0367207412939465
Energy: 1.372874300044181
Energy: 1.1875840387332046
Energy: 1.2996448164954955
Energy: 1.1513348447169585
Energy: 1.2996448164954955
Energy: 0.9865408919221081
Energy: 1.2119401762766944
Energy: 1.1288896680812213
Energy: 1.2119401762766944
Energy: 1.2218665355214118
Energy: 1.0371672717089992
Energy: 1.041340643660985
Energy: 1.0371672717089992
Energy: 1.0679725215606588
Energy: 1.2113225802559673
Energy: 1.0320164278376385
Energy: 1.2113225802559673
Energy: 1.2160438818893868
Energy: 1.3032297788863145
Energy: 1.1623799471137761
Energy: 1.3032297788863145
Energy: 1.219164806973467
Energy: 1.213345290879239
Energy: 1.1281184054082474
Energy: 1.213345290879239
Energy: 1.1030531239434709
Energy: 1.3355695258616795
Energy: 1.151192882843051
Energy: 1.3355695258628848
Energy: 1.2180290101162234
Energy: 1.2152893619161826
Energy: 1.0371095126525418
Energy: 1.2152893619161826
Energy: 0.98742212846703
Energy: 1.2262535632805007
Energy: 1.0825806399775977
Energy: 1.2262535632805007
Energy: 1.1082611541915444
Energy: 1.2158773279303874
Energy: 1.1927581700040526
Energy: 1.2158773279303874
Energy: 0.9874037541763407
Energy: 1.2260224065297807
Energy: 1.0680391783941359
Energy: 1.226022406530986
Energy: 1.2184044383525996
Energy: 1.2311486864325019
Energy: 1.0370056194491788
Energy: 1.2311486864325019
Energy: 1.1027861848282794
Energy: 1.335609071484287
Energy: 1.1075603351143015
Energy: 1.335609071484287
Energy: 1.2193403200712944
Energy: 1.2133482926465944
Energy: 1.128450589006364
Energy: 1.2133482926477999
Energy: 1.2160373292790911
Energy: 1.3032238783610437
Energy: 1.1226186301855392
Energy: 1.3032238783610437
Energy: 1.0681243068470936
Energy: 1.2111554696925138
Energy: 1.0329191393308292
Energy: 1.2111554696925138
Energy: 1.2221169856454004
Energy: 1.0372697108611721
Energy: 1.0413276322318477
Energy: 1.0372697108623774

minimum gb energy = 0.9865408919221081 eV
minimum distance =  2.33199894592807 Angstroms
sigma value = 25


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

Energy: 1.122216819470514
Energy: 1.4405946111558787
Energy: 1.243129040161914
Energy: 1.4405946111558787
Energy: 1.0967266174284285
Energy: 1.4542133256814715
Energy: 1.0731224693155623
Energy: 1.4542133256814715
Energy: 1.0752240103026414
Energy: 1.4745223207796274
Energy: 1.0728644530875704
Energy: 1.4745223207811178
Energy: 1.117700624593575
Energy: 1.4414965981925199
Energy: 1.159115403220529
Energy: 1.4414965981925199
Energy: 1.1616087377734403
Energy: 1.0939042698815338
Energy: 1.1245913504902538
Energy: 1.0939042698800432
Energy: 1.0790400656060175
Energy: 1.4711942619426197
Energy: 1.0785014160225501
Energy: 1.4711942619426197
Energy: 1.1244956619311315
Energy: 1.278578724387847
Energy: 1.0738266364896885
Energy: 1.278578724387847
Energy: 1.1591683111662858
Energy: 1.4385219822829445
Energy: 1.117051394536059
Energy: 1.438521982281454
Energy: 1.0729258267814263
Energy: 1.287941260316826
Energy: 1.0980262544516848
Energy: 1.287941260316826
Energy: 1.220362882909502
Energy: 1.3124125307863912
Energy: 1.0756527730492393
Energy: 1.3124125307863912
Energy: 1.092842604066732
Energy: 1.4406567309026552
Energy: 1.2330788626688405
Energy: 1.4406567309026552
Energy: 1.0732889044758314
Energy: 1.1297868805156042
Energy: 1.2255497876011325
Energy: 1.1297868805141136
Energy: 1.1825162231003068
Energy: 1.4748506378552526
Energy: 1.0743021316181043
Energy: 1.4748506378552526
Energy: 1.0737074399114175
Energy: 1.4405368863161223
Energy: 1.118463956801223
Energy: 1.4405368863161223
Energy: 1.122294825600182
Energy: 1.4402298366944917
Energy: 1.1618176480476583
Energy: 1.4402298366944917
Energy: 1.0948329446542662
Energy: 1.4752510527357163
Energy: 1.078647801140421
Energy: 1.4752510527357163
Energy: 1.073768237614793
Energy: 1.1752517676343321
Energy: 1.224841811950664
Energy: 1.1752517676343321

minimum gb energy = 1.0728644530875704 eV
minimum distance =  2.32161116373763 Angstroms
sigma value = 17


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

Energy: 1.3052909793135383
Energy: 1.2993174557284117
Energy: 1.2535486274271839
Energy: 1.2993174557284117
Energy: 1.2654877864019585
Energy: 1.268805561907182
Energy: 1.118646711178358
Energy: 1.2688055619063379
Energy: 1.192472898277521
Energy: 1.2785374008991561
Energy: 1.1181071771781703
Energy: 1.2785374008991561
Energy: 1.12176064315615
Energy: 1.2992478244295274
Energy: 1.2621164737695134
Energy: 1.2992478244295274
Energy: 1.2404560397647788
Energy: 1.36643737789554
Energy: 1.2097829460576974
Energy: 1.36643737789554
Energy: 1.1427781805022807
Energy: 1.2927656549148607
Energy: 1.1706098253842903
Energy: 1.2927656549140167
Energy: 1.1249411122809385
Energy: 1.267011495248107
Energy: 1.1233635334154117
Energy: 1.2670114952489513
Energy: 1.1727576426746282
Energy: 1.2929904582977978
Energy: 1.137359664791159
Energy: 1.2929904582977978
Energy: 1.144195275612512
Energy: 1.3418797688667337
Energy: 1.2270139850360902
Energy: 1.3418797688667337
Energy: 1.290726569041436
Energy: 1.2420208907366521
Energy: 1.1185391430965805
Energy: 1.2420208907366521
Energy: 1.1254506581998798
Energy: 1.294143743330359
Energy: 1.1972825021581557
Energy: 1.2941437433295149
Energy: 1.1405625762334852
Energy: 1.268445763057029
Energy: 1.1415250023188428
Energy: 1.2684457630587174
Energy: 1.2528817895079203
Energy: 1.2987651351942522
Energy: 1.2987407322916737
Energy: 1.2987651351942522
Energy: 1.1182229834312953
Energy: 1.4561245719149631
Energy: 1.2082747911003169
Energy: 1.4561245719149631
Energy: 1.2201355199067931
Energy: 1.3491714955645608
Energy: 1.1440267988957198
Energy: 1.3491714955645608
Energy: 1.1905961386081747
Energy: 1.2933068046283587
Energy: 1.1720580361663933
Energy: 1.2933068046249816
Energy: 1.1229522556998028
Energy: 1.3382934735508019
Energy: 1.326956661775309
Energy: 1.3382934735499579
Energy: 1.1965294153279822
Energy: 1.2839565359691931
Energy: 1.1425804530433488
Energy: 1.2839565359700376
Energy: 1.2495004816238253
Energy: 1.3508565015359402
Energy: 1.183166439552924
Energy: 1.350856501535096
Energy: 1.2739210603022395
Energy: 1.293365665372858
Energy: 1.1221449270702322
Energy: 1.2933656653745464
Energy: 1.1464556931491996
Energy: 1.2840662145568318
Energy: 1.1921289710865186
Energy: 1.2840662145585204
Energy: 1.1225658544312096
Energy: 1.2934488349029176
Energy: 1.2868341550856415
Energy: 1.2934488349062947
Energy: 1.249519894977555
Energy: 1.299246917881812
Energy: 1.1198794286564178
Energy: 1.2992469178826564
Energy: 1.2289228911298686
Energy: 1.3466510541683943
Energy: 1.1933314441270413
Energy: 1.3466510541658614
Energy: 1.2964333521282136
Energy: 1.278355128146018
Energy: 1.2498409715656533
Energy: 1.278355128146018
Energy: 1.2813492693894648
Energy: 1.2993933125632566
Energy: 1.1212050625340122
Energy: 1.299393312564101
Energy: 1.2119509685469494
Energy: 1.2929598981848192
Energy: 1.3325806012499362
Energy: 1.2929598981848192
Energy: 1.170983078819086
Energy: 1.310344928407802
Energy: 1.1935494733793945
Energy: 1.3103449284086464
Energy: 1.325786271937643
Energy: 1.4422201230893659
Energy: 1.1241442905704886
Energy: 1.4422201230893659
Energy: 1.1368220613451696
Energy: 1.3511383801980075
Energy: 1.197319817080545
Energy: 1.3511383801971635

minimum gb energy = 1.1181071771781703 eV
minimum distance =  2.26010768684635 Angstroms
sigma value = 53


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

Energy: 1.1175639172932432
Energy: 1.1153461011810117
Energy: 1.2184428718957836
Energy: 1.1153461011810117
Energy: 1.2635958445835471
Energy: 1.2289198003915502
Energy: 1.1599153561863433
Energy: 1.228919800393494
Energy: 1.1184862767921313
Energy: 1.115518703704534
Energy: 1.1366001972218476
Energy: 1.1155187037064775
Energy: 1.118416327685766
Energy: 1.1156161247142005
Energy: 1.1068414437113308
Energy: 1.1156161247142005
Energy: 1.2636781115476818
Energy: 1.228864984060207
Energy: 1.2503055037768542
Energy: 1.228864984060207
Energy: 1.1175639172932432
Energy: 1.1153461011810117
Energy: 1.2185249670274378
Energy: 1.1153461011810117
Energy: 1.2635958445854905
Energy: 1.2289198003915502
Energy: 1.17991001954516
Energy: 1.2289198003915502
Energy: 1.1184862767921313
Energy: 1.115518703704534
Energy: 1.1366001972218476
Energy: 1.1155187037064775
Energy: 1.118416327685766
Energy: 1.1156161247122571
Energy: 1.154564999140919
Energy: 1.1156161247122571
Energy: 1.2636781115457383
Energy: 1.228864984060207
Energy: 1.1937122304692473
Energy: 1.228864984060207
Energy: 1.1175639172932432
Energy: 1.1153461011810117
Energy: 1.252501520787698
Energy: 1.1153461011790682
Energy: 1.2635958445835471
Energy: 1.2289198003915502
Energy: 1.2123756475201881
Energy: 1.228919800393494
Energy: 1.1184862767940749
Energy: 1.115518703704534
Energy: 1.2689942416685203
Energy: 1.115518703704534

minimum gb energy = 1.1068414437113308 eV
minimum distance =  2.30931429926654 Angstroms
sigma value = 9


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

Energy: 1.2311156209098748
Energy: 1.2610009340680814
Energy: 1.3522225266436088
Energy: 1.261000934070959
Energy: 1.343282130186796
Energy: 1.244895066430823
Energy: 1.1972743491544537
Energy: 1.2448950664301035
Energy: 1.1469828521496779
Energy: 1.2117306425988208
Energy: 1.1638270859768147
Energy: 1.2117306425995402
Energy: 1.2051249127755892
Energy: 1.5307871840628542
Energy: 1.1579852300905744
Energy: 1.5307871840628542
Energy: 1.2499641420995835
Energy: 1.2745737466274694
Energy: 1.1640494458142585
Energy: 1.2745737466274694
Energy: 1.21394075576881
Energy: 1.2114744848807166
Energy: 1.189200142509424
Energy: 1.2114744848807166
Energy: 1.3772870548173681
Energy: 1.2668804899057435
Energy: 1.210025455970634
Energy: 1.2668804899050243
Energy: 1.1628564330338504
Energy: 1.5354291481740192
Energy: 1.2676443343265245
Energy: 1.5354291481740192
Energy: 1.1499982500913466
Energy: 1.5454897004399757
Energy: 1.2186363147576698
Energy: 1.5454897004406953
Energy: 1.1481934906827764
Energy: 1.2402370142195966
Energy: 1.1983074047019338
Energy: 1.2402370142195966
Energy: 1.1651194800493618
Energy: 1.2213107018870213
Energy: 1.314455019020663
Energy: 1.2213107018870213
Energy: 1.3339795891436963
Energy: 1.3409921376652738
Energy: 1.15265244365525
Energy: 1.3409921403573049
Energy: 1.149520689475706
Energy: 1.2403033621984083
Energy: 1.2960129572317103
Energy: 1.2403033621976889
Energy: 1.2108808622187865
Energy: 1.5382054627627455
Energy: 1.2367173544589036
Energy: 1.5382054627627455
Energy: 1.2109556368996952
Energy: 1.3779513234086151
Energy: 1.2294726335794035
Energy: 1.3779513234071765
Energy: 1.15338284076338
Energy: 1.5457147686453736
Energy: 1.1952224836951377
Energy: 1.5457147686446544
Energy: 1.206575894542715
Energy: 1.3778940935614747
Energy: 1.1644557680043561
Energy: 1.3778940935607558
Energy: 1.1683092391871999
Energy: 1.2676091090863961
Energy: 1.3135139889844791
Energy: 1.2676091090863961
Energy: 1.31764027140799
Energy: 1.2405015705485343
Energy: 1.2160571260562698
Energy: 1.2405015705485343
Energy: 1.1920515966243272
Energy: 1.2586582670095492
Energy: 1.2287855745201128
Energy: 1.2586582670095492
Energy: 1.2118103433490164
Energy: 1.529051307144346
Energy: 1.207454555585664
Energy: 1.529051307144346
Energy: 1.2280071679371904
Energy: 1.2830705903372643
Energy: 1.1481070305204977
Energy: 1.2830705903372643
Energy: 1.2188723232321836
Energy: 1.4035221177136652
Energy: 1.1504638787405133
Energy: 1.4035221177143846
Energy: 1.3734922366848528
Energy: 1.2043219503648617
Energy: 1.1624935307634618
Energy: 1.204321950374932
Energy: 1.1974897461861045
Energy: 1.3420876179074743
Energy: 1.418225133150272
Energy: 1.3420876092497627
Energy: 1.1787835567830067
Energy: 1.2115937123416676
Energy: 1.147907926368001
Energy: 1.2115937123409484
Energy: 1.2322338287172578
Energy: 1.380142330627801
Energy: 1.2046202166862467
Energy: 1.380142330627801
Energy: 1.252813915321301
Energy: 1.530690372613384
Energy: 1.2054451117576503
Energy: 1.5306903726148229
Energy: 1.2027899710727619
Energy: 1.21156610746202
Energy: 1.1464870967014602
Energy: 1.2115661074627395
Energy: 1.196918611101133
Energy: 1.3435316444998902
Energy: 1.4201332180613853
Energy: 1.3435316444977323
Energy: 1.3791890488080585
Energy: 1.205685814243033
Energy: 1.161844589331397
Energy: 1.205685814240875
Energy: 1.1984930476954816
Energy: 1.2698680211594813
Energy: 1.1479651337126893
Energy: 1.269868021160201
Energy: 1.1975737784221634
Energy: 1.2833286971952564
Energy: 1.1472259647535017
Energy: 1.2833286971945368
Energy: 1.2028529258048761
Energy: 1.5308034857197848
Energy: 1.2046359173801904
Energy: 1.5308034857205037
Energy: 1.1641867101850472
Energy: 1.4145768185038778
Energy: 1.377288269771238
Energy: 1.4145768185038778

minimum gb energy = 1.1464870967014602 eV
minimum distance =  2.27428593641154 Angstroms
sigma value = 73


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

Energy: 1.2648951753231914
Energy: 1.2654341779731566
Energy: 1.2060078381817414
Energy: 1.2654341779731566
Energy: 1.3038265372007147
Energy: 1.3375586041004184
Energy: 1.2110426777821308
Energy: 1.3375586041015597
Energy: 1.1658645964420216
Energy: 1.2086741643364265
Energy: 1.1853920685818773
Energy: 1.2086741643364265
Energy: 1.1265040679059746
Energy: 1.4302894275537328
Energy: 1.190049516501676
Energy: 1.4302894275525915
Energy: 1.1732248410512043
Energy: 1.310316257928344
Energy: 1.1865937762758845
Energy: 1.3103162579294854
Energy: 1.1975045520820948
Energy: 1.2553177411598746
Energy: 1.2188398368850242
Energy: 1.2553177411598746
Energy: 1.4029563004108536
Energy: 1.35284521990345
Energy: 1.1589863745161364
Energy: 1.3528452199045913
Energy: 1.1550159262982909
Energy: 1.2310911739157488
Energy: 1.369871816436222
Energy: 1.2310911739146078
Energy: 1.2899713191142808
Energy: 1.2322924538897109
Energy: 1.2296869435422697
Energy: 1.2322924538897109
Energy: 1.1621781999633727
Energy: 1.253537610027149
Energy: 1.1615841023171574
Energy: 1.253537610027149
Energy: 1.152055943723438
Energy: 1.2321216500236378
Energy: 1.2580761145434434
Energy: 1.2321216500224965
Energy: 1.2699872395373946
Energy: 1.438235556115342
Energy: 1.1259025313530298
Energy: 1.438235556115342
Energy: 1.190435497660941
Energy: 1.300886516121192
Energy: 1.3674073723876252
Energy: 1.300886516121192
Energy: 1.2816408878212555
Energy: 1.408022245984221
Energy: 1.1960689952383967
Energy: 1.4080222459830798
Energy: 1.1786100735933747
Energy: 1.410975257249496
Energy: 1.3738886876028251
Energy: 1.410975257249496
Energy: 1.257583502104529
Energy: 1.2315489212482817
Energy: 1.1555390671806918
Energy: 1.2315489212494226
Energy: 1.2705617204771207
Energy: 1.2670298130423698
Energy: 1.165745936766356
Energy: 1.2670298130423698
Energy: 1.2176108115846331
Energy: 1.4210282616885135
Energy: 1.1623507245569213
Energy: 1.4210282616873722
Energy: 1.1884241714176131
Energy: 1.231329890474923
Energy: 1.1545239867386183
Energy: 1.231329890474923
Energy: 1.2110179055584855
Energy: 1.2879667945758284
Energy: 1.4440257529821818
Energy: 1.2879667945758284
Energy: 1.305825451819198
Energy: 1.2427152958570196
Energy: 1.1960803853996647
Energy: 1.2427152958570196
Energy: 1.206887054131734
Energy: 1.3093073345789399
Energy: 1.2850827655471093
Energy: 1.3093073345800812

minimum gb energy = 1.1259025313530298 eV
minimum distance =  2.2874975536838 Angstroms
sigma value = 7


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

Energy: 1.2663467089029083
Energy: 1.2623686283906754
Energy: 1.4433002822432157
Energy: 1.2623686283922895
Energy: 1.3525292206291275
Energy: 1.2046806562965324
Energy: 1.2043425833375874
Energy: 1.2046806562965324
Energy: 1.177875045177012
Energy: 1.4679478784380615
Energy: 1.1673315517354301
Energy: 1.4679478784404827
Energy: 1.142703599443691
Energy: 1.3370138552938435
Energy: 1.2055074385802118
Energy: 1.3370138552930364
Energy: 1.1831971743023193
Energy: 1.2889860644896205
Energy: 1.1747331299669908
Energy: 1.2889860644920415
Energy: 1.1811353007451102
Energy: 1.2635886149957325
Energy: 1.273837248733436
Energy: 1.2635886149949258
Energy: 1.3861289336072504
Energy: 1.438100539611371
Energy: 1.1752002688651326
Energy: 1.4381005396121782
Energy: 1.1807384523090048
Energy: 1.262893935504838
Energy: 1.409749951803711
Energy: 1.262893935504838
Energy: 1.289443017804346
Energy: 1.3164786804976465
Energy: 1.203346501359791
Energy: 1.3164786805016817
Energy: 1.1796736831603032
Energy: 1.2965066044887976
Energy: 1.2703614574990445
Energy: 1.2965066044879907
Energy: 1.1481048762735193
Energy: 1.466992248610228
Energy: 1.1618987901801479
Energy: 1.466992248612649
Energy: 1.2328206556005779
Energy: 1.2895970969250212
Energy: 1.1583065761581421
Energy: 1.2895970969250212
Energy: 1.231115308315789
Energy: 1.264137008924817
Energy: 1.1620443352506356
Energy: 1.2641370089256236
Energy: 1.1681279032367897
Energy: 1.247319737734206
Energy: 1.1576609108807527
Energy: 1.2473197377325922
Energy: 1.1809568630440241
Energy: 1.3748299477749617
Energy: 1.387448178036971
Energy: 1.3748299477749617
Energy: 1.3366779108850744
Energy: 1.2471446761923015
Energy: 1.1994041840678404
Energy: 1.2471446761923015
Energy: 1.1820950702454167
Energy: 1.289632083208422
Energy: 1.3237712832037678
Energy: 1.289632083208422
Energy: 1.1816786736008091
Energy: 1.2491252830594424
Energy: 1.1581203847278927
Energy: 1.2491252830586352
Energy: 1.1805036390173949
Energy: 1.2628866890271384
Energy: 1.1618941184572338
Energy: 1.2628866890303667
Energy: 1.179352922303062
Energy: 1.2889547270612782
Energy: 1.1587346046447262
Energy: 1.288954727058857
Energy: 1.1474319725484465
Energy: 1.4209487095070692
Energy: 1.2036270264825042
Energy: 1.4209487095046482
Energy: 1.1799692486936684
Energy: 1.4728796103618675
Energy: 1.3495273191981954
Energy: 1.4728796104981796
Energy: 1.3365192982899063
Energy: 1.4317022925882543
Energy: 1.1613824911944128
Energy: 1.4317022925906753
Energy: 1.2694476347798747
Energy: 1.2631419272616002
Energy: 1.265629665021115
Energy: 1.2631419272632145
Energy: 1.213515018440529
Energy: 1.2888871114560692
Energy: 1.161574976812095
Energy: 1.288887111455262
Energy: 1.1419494718181256
Energy: 1.4659001386386599
Energy: 1.1661580453486224
Energy: 1.4659001386402737
Energy: 1.1802618162759988
Energy: 1.2966752442729739
Energy: 1.2452732500031902
Energy: 1.296675244273781
Energy: 1.1427725539857527
Energy: 1.289209846172725
Energy: 1.2057981372402882
Energy: 1.289209846174339
Energy: 1.1770291143840017
Energy: 1.2627955804981965
Energy: 1.237698413121404
Energy: 1.2627955804981965
Energy: 1.4033133905331554
Energy: 1.2268884367340698
Energy: 1.205775707648756
Energy: 1.2268884367356836
Energy: 1.1770331513844199
Energy: 1.262994152751431
Energy: 1.358013847397608
Energy: 1.2629941527522381

minimum gb energy = 1.1419494718181256 eV
minimum distance =  2.27260907523591 Angstroms
sigma value = 29


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

Energy: 1.192067751180726
Energy: 1.1973387816072958
Energy: 1.1406673521469204
Energy: 1.197338781608389
Energy: 1.1263117163457148
Energy: 1.2123597096863785
Energy: 1.2145090348098062
Energy: 1.2123597096866596
Energy: 1.1466601834715295
Energy: 1.2806878840368245
Energy: 1.1255069686133454
Energy: 1.2806878840370746
Energy: 1.2152192664948425
Energy: 1.2368361026076453
Energy: 1.2143145780303963
Energy: 1.2368361026079266
Energy: 1.190187639133541
Energy: 1.2693065144938325
Energy: 1.277810263941326
Energy: 1.2693065144938325
Energy: 1.0804964100302248
Energy: 1.3070276961776397
Energy: 1.0802454224021214
Energy: 1.3070276961776397
Energy: 1.0799586756349406
Energy: 1.269110356667115
Energy: 1.1902139546348518
Energy: 1.269110356667115
Energy: 1.2139792931747035
Energy: 1.2378640386998965
Energy: 1.2153378663081098
Energy: 1.2378640387001776
Energy: 1.125420554478552
Energy: 1.2809451081921681
Energy: 1.12477184460526
Energy: 1.2809451081921681

minimum gb energy = 1.0799586756349406 eV
minimum distance =  2.30329165430727 Angstroms
sigma value = 5


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

Energy: 1.14971572301614
Energy: 1.1712709952012943
Energy: 1.2771343051728754
Energy: 1.1712709952005316
Energy: 1.3964953394741133
Energy: 1.1254988900810534
Energy: 1.0958873086279919
Energy: 1.1254988900841028
Energy: 1.08422480986138
Energy: 1.153217724517369
Energy: 1.2785257890253647
Energy: 1.1532177245181312
Energy: 1.079064623886895
Energy: 1.206365814267224
Energy: 1.1249244096202675
Energy: 1.206365814267224
Energy: 1.1100713535732156
Energy: 1.2142940661132724
Energy: 1.274846841228682
Energy: 1.2142940661125101
Energy: 1.116075703059266
Energy: 1.1735600465011604
Energy: 1.1017945838406107
Energy: 1.173560046501923
Energy: 1.0848677415461556
Energy: 1.2138893963626316
Energy: 1.0869001583263362
Energy: 1.213889396361869
Energy: 1.0856744783875054
Energy: 1.1736041986408958
Energy: 1.0907727478205473
Energy: 1.173604198641658
Energy: 1.1121961824576865
Energy: 1.2133456830101164
Energy: 1.076601244384798
Energy: 1.2133456830093539
Energy: 1.112679639702274
Energy: 1.2158332143891937
Energy: 1.0715250791039266
Energy: 1.2158332143891937
Energy: 1.1071792351399108
Energy: 1.2034406060718812
Energy: 1.0881007546722585
Energy: 1.2034406060703569
Energy: 1.0868418847458523
Energy: 1.1433668083456745
Energy: 1.1746177287632364
Energy: 1.1433668083433877
Energy: 1.121989870223105
Energy: 1.1718644236871527
Energy: 1.1706295245939309
Energy: 1.1718644236871527
Energy: 1.1123266776781973
Energy: 1.1716318752216992
Energy: 1.3805510773414258
Energy: 1.1716318752201746
Energy: 1.3067409129134822
Energy: 1.1153742650504588
Energy: 1.0880925526820557
Energy: 1.1153742650519836
Energy: 1.1227816417802234
Energy: 1.1531409373644743
Energy: 1.1008738969727716
Energy: 1.153140937363712
Energy: 1.2753608707845432
Energy: 1.139804347150495
Energy: 1.1014694221554624
Energy: 1.1398043471535444
Energy: 1.1120753517103752
Energy: 1.1715825612075597
Energy: 1.1723822054137591
Energy: 1.1715825612067976
Energy: 1.110188042824055
Energy: 1.217923366994786
Energy: 1.0968700240190732
Energy: 1.2179233669940237
Energy: 1.084820017187894
Energy: 1.2324428835665007
Energy: 1.1284468842981008
Energy: 1.232442883567263
Energy: 1.0721263681904956
Energy: 1.199476717801658
Energy: 1.1213169142375858
Energy: 1.199476717800896
Energy: 1.1110714248716753
Energy: 1.213736637278506
Energy: 1.1111908033922089
Energy: 1.213736637278506
Energy: 1.09880303394606
Energy: 1.1729236833372558
Energy: 1.0721958121444308
Energy: 1.1729236833372558
Energy: 1.1737368320743995
Energy: 1.203800514640083
Energy: 1.0849800988646356
Energy: 1.203800514640083
Energy: 1.1808219597118204
Energy: 1.1569780598606485
Energy: 1.0942621996021564
Energy: 1.1569780598598862
Energy: 1.1490340809970734
Energy: 1.1717217114666185
Energy: 1.1123022466089354
Energy: 1.1717217114658565
Energy: 1.0977624397394616
Energy: 1.1003049024103801
Energy: 1.1320096244145905
Energy: 1.100304902409618
Energy: 1.1070463014690313
Energy: 1.2080657081931347
Energy: 1.1228043038840962
Energy: 1.2080657081938972
Energy: 1.0954818129185118
Energy: 1.125705948115727
Energy: 1.4348287532090733
Energy: 1.125705948115727
Energy: 1.2391422173173774
Energy: 1.1718407487522726
Energy: 1.1120574121101543
Energy: 1.1718407487515103
Energy: 1.101035896855014
Energy: 1.1356685570399823
Energy: 1.2659527852758443
Energy: 1.1356685570399823
Energy: 1.274110226872175
Energy: 1.1570086933251669
Energy: 1.0874369190143158
Energy: 1.1570086933259291
Energy: 1.1239118620780317
Energy: 1.2030945555713124
Energy: 1.0762339950853452
Energy: 1.2030945555713124

minimum gb energy = 1.0715250791039266 eV
minimum distance =  2.29565040600401 Angstroms
sigma value = 1


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

Energy: 1.1139118004329163
Energy: 1.1102174798407751
Energy: 1.0489351182956257
Energy: 1.110217479838667
Energy: 1.3344358321888983
Energy: 1.0559502133207765
Energy: 1.0624262103213098
Energy: 1.0559502133218306
Energy: 1.0189846607008048
Energy: 1.1109999682536715
Energy: 1.4784570294857973
Energy: 1.1109999682526173
Energy: 1.0700981104128096
Energy: 1.1633688491237402
Energy: 1.0607800226904645
Energy: 1.1633688491258483
Energy: 1.0198881551184173
Energy: 1.2058036627071163
Energy: 1.2837473723028854
Energy: 1.2058036627071163
Energy: 1.0223215199402973
Energy: 1.1577669401703696
Energy: 1.060978959558216
Energy: 1.1577669401693158
Energy: 1.0207491556981538
Energy: 1.2100893120688556
Energy: 1.077763959366202
Energy: 1.2100893120699097
Energy: 1.0204887333039538
Energy: 1.1140161320981876
Energy: 1.0710926225118362
Energy: 1.1140161320981876
Energy: 1.1167317782891033
Energy: 1.1083971382593705
Energy: 1.0712932148722556
Energy: 1.1083971382604245
Energy: 1.115398003265088
Energy: 1.1083961514894018
Energy: 1.0775992065546174
Energy: 1.1083961514883478
Energy: 1.0205481529144795
Energy: 1.1139134384763776
Energy: 1.0708621687074886
Energy: 1.1139134384763776
Energy: 1.0200762304413338
Energy: 1.2101003068459397
Energy: 1.0803767132340145
Energy: 1.2101003068469938
Energy: 1.0226212122128238
Energy: 1.158170349467363
Energy: 1.061015796042971
Energy: 1.158170349467363
Energy: 1.0197616624610337
Energy: 1.2061489778808796
Energy: 1.2128809081797414
Energy: 1.2061489778808796
Energy: 1.069834668051286
Energy: 1.1633572936042955
Energy: 1.0608012962641646
Energy: 1.1633572936042955
Energy: 1.018777711766998
Energy: 1.111043035866458
Energy: 1.0762887576481313
Energy: 1.1110430358654044
Energy: 1.3344631026747913
Energy: 1.0558998403425612
Energy: 1.0628243181135402
Energy: 1.055899840343615
Energy: 1.1139118004329163
Energy: 1.1102174798407751
Energy: 1.0669871546265992
Energy: 1.110217479838667
Energy: 1.3344358321888983
Energy: 1.0559502133207765
Energy: 1.062426210320256
Energy: 1.0559502133218306
Energy: 1.0189846607008048
Energy: 1.1109999682526173
Energy: 1.4784570294868513
Energy: 1.1109999682547256
Energy: 1.0700981104138636
Energy: 1.1633688491237402
Energy: 1.0607800226894104
Energy: 1.1633688491258483
Energy: 1.0198881551194714
Energy: 1.2058036627071163
Energy: 1.2837473723039392
Energy: 1.2058036627071163
Energy: 1.0223215199402973
Energy: 1.1577669401714237
Energy: 1.060978959558216
Energy: 1.1577669401714237
Energy: 1.0207491556981538
Energy: 1.2100893120688556
Energy: 1.0728338724678805
Energy: 1.2100893120699097

minimum gb energy = 1.018777711766998 eV
minimum distance =  2.30600555246104 Angstroms
sigma value = 17


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

Energy: 1.088592200208603
Energy: 1.0854802227944254
Energy: 1.2545774032977923
Energy: 1.0854802227918194
Energy: 1.314974685903281
Energy: 1.0689845480401243
Energy: 1.0360175084821879
Energy: 1.0689845480407758
Energy: 1.0362741941844447
Energy: 1.0679206854174235
Energy: 1.3153125509125383
Energy: 1.0679206854161207
Energy: 1.0585864690292524
Energy: 1.2505159470076093
Energy: 1.0325640523741462
Energy: 1.2505159470082607
Energy: 1.0177498030600878
Energy: 1.148558763146306
Energy: 1.3225262019696633
Energy: 1.1485587631476089
Energy: 1.006683897924426
Energy: 1.2699817034712904
Energy: 1.053919430717554
Energy: 1.2699817034719418
Energy: 1.0359270796734565
Energy: 1.127100221023656
Energy: 1.0922706096715262
Energy: 1.127100221024959
Energy: 1.017966048531411
Energy: 1.278718566667003
Energy: 1.0166400358605856
Energy: 1.2787185666676544
Energy: 1.0804973211769775
Energy: 1.2792889948951696
Energy: 1.0642119595805015
Energy: 1.2792889948951696
Energy: 1.0843097810415698
Energy: 1.110726315007376
Energy: 1.0362599476680396
Energy: 1.1107263150093307
Energy: 1.0367875956263495
Energy: 1.2491101541813168
Energy: 1.0173610620117866
Energy: 1.2491101541806653
Energy: 1.0390784845275476
Energy: 1.1183127532538473
Energy: 1.0195168947283155
Energy: 1.1183127532544987
Energy: 1.0054553770609966
Energy: 1.2663150839878805
Energy: 1.0345449895150054
Energy: 1.2663150839885322
Energy: 1.0179000344385893
Energy: 1.1476488427596188
Energy: 1.1134432026566956
Energy: 1.1476488427589673
Energy: 1.0209875535540898
Energy: 1.2591435115759733
Energy: 1.0940273893938712
Energy: 1.2591435115766245
Energy: 1.0362964400421855
Energy: 1.0680478603969574
Energy: 1.3129266725828732
Energy: 1.068047860396306
Energy: 1.0470429803238661
Energy: 1.2610168105813881
Energy: 1.0338936067618067
Energy: 1.2610168105813881
Energy: 1.0316371328446081
Energy: 1.0860046709105187
Energy: 1.0328815156438829
Energy: 1.0860046709105187
Energy: 1.2045320674306945
Energy: 1.1203420583803785
Energy: 1.0368565687669509
Energy: 1.1203420583862418
Energy: 1.0540562889334126
Energy: 1.0672933611896767
Energy: 1.1965829832222585
Energy: 1.0672933611896767
Energy: 1.4552689761999025
Energy: 1.058458808848038
Energy: 1.0344343191366825
Energy: 1.0584588088486895
Energy: 1.034903474191126
Energy: 1.086814405312173
Energy: 1.3231578272789442
Energy: 1.0868144053115216
Energy: 1.188787332779928
Energy: 1.0502321716717016
Energy: 1.0536530978451524
Energy: 1.0502321716730045
Energy: 1.0374270144568896
Energy: 1.1280689567573972
Energy: 1.21996103835607
Energy: 1.1280689567547915
Energy: 1.0464461428740737
Energy: 1.0866330643731392
Energy: 1.0318580361442269
Energy: 1.0866330643731392
Energy: 1.0355072995747987
Energy: 1.1493853763288024
Energy: 1.0513027868863705
Energy: 1.149385376328151
Energy: 1.1793898516327468
Energy: 1.1026581499204515
Energy: 1.0372710884190792
Energy: 1.102658149922347
Energy: 1.09716059122828
Energy: 1.258923495924338
Energy: 1.0190354520564746
Energy: 1.2589234959256412
Energy: 1.1104535103766977
Energy: 1.1472241479421939
Energy: 1.0188503559515905
Energy: 1.1472241479428453
Energy: 1.035752730268258
Energy: 1.2669915220709058
Energy: 1.061036382608706
Energy: 1.2669915220722088
Energy: 1.0188018062038986
Energy: 1.1473005698795702
Energy: 1.0385364905210988
Energy: 1.1473005698802217
Energy: 1.0190219122283009
Energy: 1.2501541445926974
Energy: 1.034733637596869
Energy: 1.2501541445940003
Energy: 1.0372931777034111
Energy: 1.1108128297111497
Energy: 1.2141334384995286
Energy: 1.1108128297157098
Energy: 1.0630955834381015
Energy: 1.2818557259605272
Energy: 1.0568341199377271
Energy: 1.2818557259605272
Energy: 1.017191384682258
Energy: 1.0870517906271697
Energy: 1.050799042764063
Energy: 1.0870517906265182
Energy: 1.0882606823540109
Energy: 1.1280655896330545
Energy: 1.034734952844764
Energy: 1.128065589632403
Energy: 1.0534799074270909
Energy: 1.269897381913774
Energy: 1.0059049408104215
Energy: 1.269897381915077
Energy: 1.3156448334557171
Energy: 1.1490688280287802
Energy: 1.0346754399483094
Energy: 1.1490688280268255

minimum gb energy = 1.0054553770609966 eV
minimum distance =  2.29579539025801 Angstroms
sigma value = 89


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

Energy: 0.9478092541592197
Energy: 0.9455868726500752
Energy: 0.9084159599484287
Energy: 0.9455868726500752
Energy: 0.9501534139352047
Energy: 0.986935279996176
Energy: 0.9536984811191885
Energy: 0.986935279996176
Energy: 0.9535541272574591
Energy: 1.117205443886019
Energy: 1.376380005818357
Energy: 1.117205443886019
Energy: 0.9230420324914742
Energy: 0.9869134020676225
Energy: 0.9536539076738226
Energy: 0.9869134020676225
Energy: 0.9526463743072722
Energy: 1.030704856712964
Energy: 1.5790553210197835
Energy: 1.030704856712964
Energy: 0.9495239424203432
Energy: 0.9470233219273235
Energy: 0.9507532404006295
Energy: 0.9470233219273235
Energy: 0.9530382239032601
Energy: 1.1175026184992884
Energy: 0.954101879432284
Energy: 1.1175026184992884
Energy: 0.9083779117270935
Energy: 1.115775309684534
Energy: 0.9531994970635236
Energy: 1.115775309684534
Energy: 0.9662499018908597
Energy: 1.031313780912924
Energy: 0.9156975638057373
Energy: 1.031313780912924
Energy: 0.9867067146553453
Energy: 1.024880062196028
Energy: 0.9481450420230823
Energy: 1.024880062196028
Energy: 0.9429288456900096
Energy: 0.9877234136854538
Energy: 0.9535721037513128
Energy: 0.9877234136854538
Energy: 0.9429565503031905
Energy: 1.1205130707046822
Energy: 0.9530253443357151
Energy: 1.1205130707046822
Energy: 0.9486768968557762
Energy: 0.9483909609274077
Energy: 0.9231253953790727
Energy: 0.9483909609274077
Energy: 0.9498560396275088
Energy: 1.0292793393546265
Energy: 0.9499489474962183
Energy: 1.0292793393546265
Energy: 0.9072388207430848
Energy: 0.948399564765668
Energy: 0.9490740256080831
Energy: 0.9483995647639635

minimum gb energy = 0.9072388207430848 eV
minimum distance =  2.31561808985538 Angstroms
sigma value = 13


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

Energy: 0.9219573290183233
Energy: 0.8795399620275035
Energy: 1.118143659203824
Energy: 0.8795399620282178
Energy: 1.3736824595493375
Energy: 0.9073699248815116
Energy: 0.8632994281298898
Energy: 0.9073699248800827
Energy: 0.8820337822150109
Energy: 0.8801897522519655
Energy: 1.311627036782916
Energy: 0.8801897522541089
Energy: 0.8877880932816266
Energy: 0.9070174120855402
Energy: 0.8598650657578293
Energy: 0.9070174120862545
Energy: 0.8897750961224784
Energy: 0.9430417998997832
Energy: 0.8900773513561676
Energy: 0.9430417998976398
Energy: 0.8645346246200813
Energy: 0.9077851287066147
Energy: 0.8945637849262522
Energy: 0.9077851287059001
Energy: 0.8898844017723248
Energy: 0.9496166240768661
Energy: 1.2801683281990097
Energy: 0.9496166240747226
Energy: 0.8518836742382089
Energy: 0.9077589190609759
Energy: 0.8945273735661567
Energy: 0.9077589190681205
Energy: 0.8899582633101615
Energy: 0.9486032807514323
Energy: 1.050865933166533
Energy: 0.9486032807485746
Energy: 1.0637850126725237
Energy: 0.9694381942126413
Energy: 0.8600371023489737
Energy: 0.9694381942090688
Energy: 0.8899246801959746
Energy: 0.9704747608473818
Energy: 0.8672005983297327
Energy: 0.9704747608452382
Energy: 1.2065504633789246
Energy: 0.9691366601713023
Energy: 0.8592099831972763
Energy: 0.9691366601705877
Energy: 0.9301245093627858
Energy: 0.8996126047736808
Energy: 0.8661719011199912
Energy: 0.8996126047658216
Energy: 1.2313617362784999
Energy: 0.9695829706320791
Energy: 0.859295592704045
Energy: 0.9695829706299358
Energy: 0.8900415762374936
Energy: 0.8806119316479545
Energy: 0.8591320100535114
Energy: 0.8806119316508123
Energy: 0.8873804651458504
Energy: 0.9698089724219421
Energy: 0.8614397797971672
Energy: 0.969808972420513
Energy: 0.8811196881487189
Energy: 0.8790548441801395
Energy: 0.8635121445680904
Energy: 0.879054844182283
Energy: 0.8780478182727649
Energy: 0.946205367350074
Energy: 0.9019678212034057
Energy: 0.9462053673493594
Energy: 0.8812042520920785
Energy: 0.9464860235576897
Energy: 0.9024238370632035
Energy: 0.9464860235612622
Energy: 0.8812303070937326
Energy: 0.9465282222674958
Energy: 0.9021007622852407
Energy: 0.9465282222703537
Energy: 0.8783632515960721
Energy: 0.9460494110801995
Energy: 0.9022200956201043
Energy: 0.9460494110787704
Energy: 0.8811353596451371
Energy: 0.878416893013943
Energy: 0.8639522642333012
Energy: 0.8784168930132286
Energy: 0.8871775546583499
Energy: 0.9698925282009038
Energy: 0.8620603452295947
Energy: 0.9698925282016182
Energy: 0.8900413314883803
Energy: 0.8802286199952029
Energy: 0.8578452331676615
Energy: 0.8802286199923449
Energy: 1.2312361838000687
Energy: 0.9693661403095285
Energy: 0.8591978892803785
Energy: 0.9693661403095285
Energy: 0.930087207263895
Energy: 0.8996884111521373
Energy: 0.8673033070929558
Energy: 0.8996884111549951
Energy: 1.206788332705736
Energy: 0.969372375299232
Energy: 0.8593336723097654
Energy: 0.9693723753042331
Energy: 0.8902004733947063
Energy: 0.9706234056386854
Energy: 0.8672872236937151
Energy: 0.9706234056372565
Energy: 1.063642603195939
Energy: 0.9694805480870154
Energy: 0.8600137196287865
Energy: 0.9694805480877299
Energy: 0.8898888914551575
Energy: 0.9486713265929863
Energy: 1.1870511699958195
Energy: 0.9486713265915573
Energy: 0.8523392630203188
Energy: 0.9081756724963858
Energy: 0.8946101046933552
Energy: 0.9081756724942424
Energy: 0.8901208352000693
Energy: 0.9495702220094911
Energy: 1.3452693128539006
Energy: 0.9495702220102057
Energy: 0.8648617453707541
Energy: 0.9076297140226839
Energy: 0.894429486509956
Energy: 0.9076297140241129
Energy: 0.8897608145912077
Energy: 0.9430544807914739
Energy: 0.8781181830572212
Energy: 0.9430544807936173
Energy: 0.8879905177594926
Energy: 0.907173671311035
Energy: 0.8598455526364353
Energy: 0.9071736713103205

minimum gb energy = 0.8518836742382089 eV
minimum distance =  2.33043959848309 Angstroms
sigma value = 37


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

Energy: 0.839383177084356
Energy: 0.8372518615051264
Energy: 0.9470966127030275
Energy: 0.8372518615051264
Energy: 1.3626644158464059
Energy: 0.8364235621572761
Energy: 0.7737678771862502
Energy: 0.8364235621572761
Energy: 0.8028059556790129
Energy: 0.9372252619103835
Energy: 1.0840848962111895
Energy: 0.9372252619103835
Energy: 0.7735841355302441
Energy: 0.8363440747405918
Energy: 0.7735660742762693
Energy: 0.8363440747405918
Energy: 0.7734395015113853
Energy: 0.836316560736585
Energy: 0.7692183251397863
Energy: 0.836316560736585
Energy: 0.7470311905726228
Energy: 0.8363567909511099
Energy: 0.7711221066460688
Energy: 0.8363567909511099
Energy: 0.8073870534591674
Energy: 0.8805339259329662
Energy: 1.0801495936710168
Energy: 0.8805339259329662
Energy: 0.7707617458911094
Energy: 0.8378575080439127
Energy: 0.8417280573073984
Energy: 0.8378575080439127
Energy: 0.7729000724475703
Energy: 0.8360560252928481
Energy: 1.0814334977290836
Energy: 0.8360560252916188
Energy: 1.121814323476869
Energy: 0.9263117035262846
Energy: 0.771320341585015
Energy: 0.9263117035262846
Energy: 0.8072968146354234
Energy: 0.8802519120690279
Energy: 0.7720604754059701
Energy: 0.8802519120677987
Energy: 1.1423586997660184
Energy: 0.8370791580887015
Energy: 0.773873053660878
Energy: 0.8370791580874722
Energy: 0.7735714991385637
Energy: 0.8361078640306124
Energy: 0.7478382975621635
Energy: 0.8361078640306124
Energy: 1.0820540753491101
Energy: 0.8803374367232779
Energy: 0.7721955188164574
Energy: 0.8803374367220488
Energy: 0.8422258162771735
Energy: 0.8813391327899331
Energy: 0.7721948182404048
Energy: 0.8813391327899331
Energy: 0.8348949553452885
Energy: 0.8365888032374593
Energy: 0.7741771111863514
Energy: 0.8365888032374593
Energy: 0.7737099601305546
Energy: 0.928815292134946
Energy: 0.7363707208773801
Energy: 0.928815292134946
Energy: 0.7680200661953119
Energy: 0.88134161275689
Energy: 0.7723356340318068
Energy: 0.8813416127839327
Energy: 0.7735834762385218
Energy: 0.8385262489202817
Energy: 0.77585299096697
Energy: 0.8385262489202817
Energy: 0.7692570688347493
Energy: 0.8364375720340129
Energy: 0.7675372929908468
Energy: 0.8364375720352422

minimum gb energy = 0.7363707208773801 eV
minimum distance =  2.33769532031682 Angstroms
sigma value = 25


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

Energy: 0.8952174861401809
Energy: 0.7174376646166482
Energy: 0.6396880209258891
Energy: 0.7174376646137686
Energy: 1.3774773485407086
Energy: 0.7261652627452407
Energy: 0.7057544007701501
Energy: 0.7261652627462006
Energy: 0.8530207600206516
Energy: 0.7157121956590168
Energy: 0.9222928371622623
Energy: 0.7157121956609364
Energy: 1.0434728421327586
Energy: 0.7430680558092104
Energy: 0.7065863682610406
Energy: 0.7430680558092104
Energy: 0.7191494342580572
Energy: 0.7264578507961985
Energy: 0.6885060198269898
Energy: 0.7264578507961985
Energy: 0.7877202027885053
Energy: 0.7156230646579691
Energy: 0.7209584304046395
Energy: 0.7156230646579691
Energy: 0.7059193986153014
Energy: 0.7003620594326868
Energy: 1.044211891071704
Energy: 0.7003620594326868
Energy: 0.6588715105525856
Energy: 0.7541764255752732
Energy: 0.8413016597727176
Energy: 0.754176425576233
Energy: 0.7050967359598549
Energy: 0.7301228703214928
Energy: 1.2641253165852573
Energy: 0.7301228703205329
Energy: 0.6679679467359696
Energy: 0.7003607452171149
Energy: 0.7567545851020621
Energy: 0.7003607452161549
Energy: 0.7058411936205974
Energy: 0.7001880863411725
Energy: 1.1670134209006464
Energy: 0.7001880863402126
Energy: 0.9744634643349803
Energy: 0.8244939031291951
Energy: 0.8412714137109178
Energy: 0.8244939031224761
Energy: 0.7073855925456723
Energy: 0.7428231270418183
Energy: 1.1552105857767772
Energy: 0.7428231270408584
Energy: 1.0000297090090833
Energy: 0.9974221956737719
Energy: 0.720882406027831
Energy: 0.9974221956737719
Energy: 0.7209173236579397
Energy: 0.7005303796077703
Energy: 0.8028774550822548
Energy: 0.7005303796077703
Energy: 1.1036231797900162
Energy: 0.8251470545553191
Energy: 0.7071086107050978
Energy: 0.8251470545284433
Energy: 0.8370510309174487
Energy: 0.7538788532268732
Energy: 0.6591161697611213
Energy: 0.7538788532268732
Energy: 1.096052407796277
Energy: 0.7264501000544696
Energy: 0.7058059981028357
Energy: 0.7264501000544696
Energy: 0.8958794710797562
Energy: 0.715188256027919
Energy: 0.6643649914277598
Energy: 0.7151882560231198
Energy: 1.2722694699292494
Energy: 0.828532496630806
Energy: 0.708249496167414
Energy: 0.8285324966327257
Energy: 0.8374707465235524
Energy: 1.043790942612187
Energy: 0.6579618846606298
Energy: 1.043790942612187
Energy: 0.8353485204054563
Energy: 0.7429993810446046
Energy: 0.710274862431992
Energy: 0.7429993810446046
Energy: 0.724109488843879
Energy: 0.7010369604873932
Energy: 0.9981628614036014
Energy: 0.7010369604873932
Energy: 0.8014707234285182
Energy: 0.8280246078457115
Energy: 0.7240876000814853
Energy: 0.8280246078447517
Energy: 0.708455346470582
Energy: 0.8241388486042823
Energy: 1.1018526087512948
Energy: 0.8241388485361766
Energy: 0.6713548972147199
Energy: 0.7539164892964868
Energy: 0.8391608957131823
Energy: 0.753916489294567

minimum gb energy = 0.6396880209258891 eV
minimum distance =  2.34066955597686 Angstroms
sigma value = 41


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

Energy: 1.0391633623742509
Energy: 0.6457762212311446
Energy: 0.9013667809982979
Energy: 0.6457762212311446
Energy: 1.34843107996929
Energy: 0.6281109374496036
Energy: 0.6143788085671383
Energy: 0.6281109374496036
Energy: 0.6460190419619583
Energy: 0.612207514412533
Energy: 0.5820223942738272
Energy: 0.612207514412533
Energy: 1.0167100307942176
Energy: 0.6284322592606798
Energy: 0.6145828328230141
Energy: 0.628432259259893
Energy: 0.6119000586663883
Energy: 0.6658316776661689
Energy: 0.595753802413625
Energy: 0.6658316776661689
Energy: 0.8125002017085651
Energy: 0.6280876702376366
Energy: 0.6142181133522463
Energy: 0.6280876702384235
Energy: 0.6137645466665713
Energy: 0.6284254729134271
Energy: 0.8844835731151787
Energy: 0.6284254729118534
Energy: 0.6027614010183182
Energy: 0.6461254400159052
Energy: 0.6124129077032362
Energy: 0.6461254400159052
Energy: 0.6159841158897409
Energy: 0.6463613750682009
Energy: 1.0816506496462894
Energy: 0.6463613750689879
Energy: 0.599022867870789
Energy: 0.6119155387836304
Energy: 0.646546336939285
Energy: 0.6119155387844173
Energy: 0.6138027761137541
Energy: 0.6285974928378558
Energy: 1.1854177819390426
Energy: 0.6285974928378558
Energy: 0.6023916154758259
Energy: 0.6456156507930405
Energy: 1.0370626797606124
Energy: 0.6456156507930405
Energy: 0.6159507132426029
Energy: 0.6477855912493886
Energy: 1.2635212942525695
Energy: 0.6477855912501754
Energy: 0.8586642702226133
Energy: 0.7094744346455062
Energy: 0.6467494327610219
Energy: 0.7094744346455062
Energy: 0.614015326750255
Energy: 0.6288455882309932
Energy: 1.0125401423108122
Energy: 0.62884558823178
Energy: 0.8637740844526005
Energy: 0.6451009782455965
Energy: 0.6124511727624116
Energy: 0.6451009782463835
Energy: 0.6158832625513887
Energy: 0.6467076889902493
Energy: 0.8090914261779601
Energy: 0.6467076889926102
Energy: 0.8561314675829174
Energy: 0.7097486591146908
Energy: 0.6143426665140126
Energy: 0.7097486591146908
Energy: 0.6140213103746962
Energy: 0.6459555330026662
Energy: 0.6003604646296715
Energy: 0.6459555330026662
Energy: 0.8792139888280969
Energy: 0.6452138614523826
Energy: 0.6187634572756834
Energy: 0.6452138614508086
Energy: 0.6484157171404693
Energy: 0.6465384171980358
Energy: 0.5887453290115813
Energy: 0.6465384171933143
Energy: 1.1863642299765085
Energy: 0.6670014236887282
Energy: 0.6145374058456778
Energy: 0.6670014240772878
Energy: 1.0344569077488186
Energy: 0.6457551251577969
Energy: 0.6001161779703932
Energy: 0.6457551251577969
Energy: 1.0445205512101037
Energy: 0.6470860092731042
Energy: 0.6186619690277474
Energy: 0.6470860092723174
Energy: 0.6484857035906109
Energy: 0.7075233076150464
Energy: 0.589774685662175
Energy: 0.7075233076142596
Energy: 1.012527101091875
Energy: 1.1711921689301175
Energy: 0.6146577639730948
Energy: 1.1711921689309044
Energy: 0.6140678391164237
Energy: 0.6450842407252101
Energy: 0.8630539248065079
Energy: 0.645084240726784
Energy: 0.6290168421705781
Energy: 0.6468882101195866
Energy: 0.6187259286597313
Energy: 0.6468882101911606
Energy: 0.6162789506501443
Energy: 0.7076772841954699
Energy: 0.854688279671552
Energy: 0.7076772841946831
Energy: 0.597686840295112
Energy: 0.9486378641139093
Energy: 0.6164387549479876
Energy: 0.9486378641139093
Energy: 0.6184623206357135
Energy: 0.6450090457680356
Energy: 0.876352741341739
Energy: 0.6450090457688226
Energy: 0.601604281338065
Energy: 0.6479388479682447
Energy: 0.6515128977645821
Energy: 0.6479388479658839

minimum gb energy = 0.5820223942738272 eV
minimum distance =  2.33286531770091 Angstroms
sigma value = 15


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

Energy: 0.9383161239109997
Energy: 0.5753595001541353
Energy: 0.993826253937076
Energy: 0.5753595001528021
Energy: 1.3412407693876474
Energy: 0.5728206016551008
Energy: 0.5737914582543516
Energy: 0.5728206016571007
Energy: 0.5997679442948064
Energy: 0.572380722590035
Energy: 0.5485413906335862
Energy: 0.5723807225893685
Energy: 1.0495980507070886
Energy: 0.5726679840996868
Energy: 0.5736380322702992
Energy: 0.5726679841003534
Energy: 0.5718747150026597
Energy: 0.6286143147743154
Energy: 0.901411932237838
Energy: 0.6286143147616493
Energy: 0.9026632778770374
Energy: 0.5727011864179865
Energy: 0.5739202953629416
Energy: 0.5727011864186532
Energy: 0.5735343580853983
Energy: 0.5859213940551677
Energy: 0.5585271112715415
Energy: 0.5859213940551677
Energy: 0.7289431036288812
Energy: 0.5857913670413403
Energy: 0.5739033966362296
Energy: 0.5857913670413403
Energy: 0.5749527768878017
Energy: 0.5877775512020847
Energy: 0.8206912250766251
Energy: 0.5877775512020847
Energy: 0.5497929904436775
Energy: 0.572846490918145
Energy: 0.5723776843164743
Energy: 0.5728464909208116
Energy: 0.5735840562864436
Energy: 0.5726211173762273
Energy: 1.0478160828911234
Energy: 0.5726211173722275
Energy: 0.544667145443612
Energy: 0.5721861116350146
Energy: 0.6001959429176155
Energy: 0.5721861116330147
Energy: 0.5750281800734658
Energy: 0.5875758103102947
Energy: 1.198733489818559
Energy: 0.5875758104368941
Energy: 0.5484432192722902
Energy: 0.5730716915113482
Energy: 0.934794914431574
Energy: 0.5730716915060151
Energy: 0.5734693943594575
Energy: 0.5726961864363924
Energy: 1.1975727236787053
Energy: 0.5726961863910613
Energy: 0.7758459854313114
Energy: 0.5720988299062066
Energy: 0.6004314249281993
Energy: 0.5720988299042067
Energy: 0.5750118217883743
Energy: 0.5867609105078574
Energy: 1.0469112626153059
Energy: 0.586760910497858
Energy: 0.7751217124335041
Energy: 0.6262815447627457
Energy: 0.5722870279691467
Energy: 0.6262815448153489
Energy: 0.5737550460796446
Energy: 0.5724197899791198
Energy: 0.9062345002065714
Energy: 0.5724197899777865
Energy: 0.7696842820071372
Energy: 0.5719183242248093
Energy: 0.5741080536168782
Energy: 0.5719183242261425
Energy: 0.5748941005342617
Energy: 0.6000344012468811
Energy: 0.730202490102737
Energy: 0.6000344012382148
Energy: 0.7854329092316321
Energy: 0.586045573003806
Energy: 0.5764767734613901
Energy: 0.586045573005139
Energy: 0.573633742191586
Energy: 0.5723822894714401
Energy: 0.5474520671200599
Energy: 0.5723822894741066
Energy: 1.0974446292944018
Energy: 0.5717536296800823
Energy: 0.5738094776373764
Energy: 0.5717536296800823
Energy: 0.6014934115243148
Energy: 0.6001921085526499
Energy: 0.5418645531219652
Energy: 0.6001921085526499
Energy: 1.069459985722376
Energy: 0.586090860941816
Energy: 0.576769061584092
Energy: 0.5860908609384827
Energy: 0.9330899599178112
Energy: 0.572936649951779
Energy: 0.5479132262892316
Energy: 0.5729366499524456
Energy: 1.1940674685196146
Energy: 0.5727170048397304
Energy: 0.573715338827653
Energy: 0.5727170048397304
Energy: 0.6017052098195018
Energy: 0.6541123523181583
Energy: 0.5402946249512948
Energy: 0.6541123523174917
Energy: 0.922915095073963
Energy: 0.5864085744326059
Energy: 0.5767982642241307
Energy: 0.5864085744319391
Energy: 0.5735045537647594
Energy: 0.6256704653170655
Energy: 0.776351250645867
Energy: 0.6256704652997331
Energy: 0.9017242020112053
Energy: 0.5722831519075129
Energy: 0.5744069663919213
Energy: 0.5722831519081796
Energy: 0.5749155503268284
Energy: 0.6545632459006365
Energy: 0.768210515168074
Energy: 0.6545632459006365
Energy: 0.5675056270702566
Energy: 0.5996812962527431
Energy: 0.5766855083288166
Energy: 0.5996812962500767
Energy: 0.5522342945145831
Energy: 0.6276018431108881
Energy: 0.7830627523132913
Energy: 0.6276018431188876
Energy: 0.5483815388421893
Energy: 0.5719055967677499
Energy: 0.5754411325730585
Energy: 0.5719055967644168
Energy: 0.5749724874758524
Energy: 0.6538430239576768
Energy: 1.095228268906072
Energy: 0.6538430239336781

minimum gb energy = 0.5402946249512948 eV
minimum distance =  2.33618935282192 Angstroms
sigma value = 85


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

Energy: 0.8887015119551817
Energy: 0.5625281510512553
Energy: 0.7218253186932786
Energy: 0.5625281510512553
Energy: 1.3223507072905865
Energy: 0.5604880077675268
Energy: 0.521055767517551
Energy: 0.560488007768105
Energy: 0.8549078118337372
Energy: 0.5602006901907698
Energy: 0.6776726450593573
Energy: 0.5602006901913479
Energy: 1.0504079127470771
Energy: 0.5604431333546241
Energy: 0.5210453403514297
Energy: 0.5604431333748602
Energy: 0.559670841919227
Energy: 0.5199291838811468
Energy: 0.4573881335635257
Energy: 0.5199291838811468
Energy: 0.9177175376198811
Energy: 0.5600461581263373
Energy: 0.5209800264395594
Energy: 0.5600461581257592
Energy: 0.5197473702583731
Energy: 0.5794768941199528
Energy: 0.49670998833419194
Energy: 0.579476894121109
Energy: 0.7835637674169927
Energy: 0.5595290538254598
Energy: 0.5210203029416995
Energy: 0.5595290538277724
Energy: 0.5206171026890728
Energy: 0.5395041083972769
Energy: 0.6584310789064415
Energy: 0.5395041083972769
Energy: 0.6206143496638522
Energy: 0.5799146183975998
Energy: 0.5199967946075102
Energy: 0.579914618398178
Energy: 0.5218337046407615
Energy: 0.5601214235901222
Energy: 0.9919181679767012
Energy: 0.5601214235901222
Energy: 0.4563480604553809
Energy: 0.5598032183994601
Energy: 0.5604886595334481
Energy: 0.5598032183994601
Energy: 0.520804822161034
Energy: 0.5396792813170183
Energy: 1.0544864729736534
Energy: 0.5396792813152839
Energy: 0.4520398012595777
Energy: 0.5603760133797454
Energy: 0.8525619884709638
Energy: 0.5603760133797454
Energy: 0.5221726193279247
Energy: 0.5604441804358725
Energy: 1.1873584691446792
Energy: 0.5604441804352943
Energy: 0.45636733178620403
Energy: 0.5593306828930753
Energy: 0.8874971252935547
Energy: 0.5593306828936535
Energy: 0.5209761027426523
Energy: 0.5396687477562975
Energy: 1.2447989820525036
Energy: 0.5396687477568757
Energy: 0.6630831945506346
Energy: 0.5593876550598228
Energy: 0.852633106617976
Energy: 0.5593876550598228
Energy: 0.5220208950859788
Energy: 0.5607331932172434
Energy: 1.0504625363291944
Energy: 0.5607331932172434
Energy: 0.6611786737372238
Energy: 0.5599135920538334
Energy: 0.5602853835878311
Energy: 0.559913592052677
Energy: 0.520822952698925
Energy: 0.5397684087450958
Energy: 0.9182252804881013
Energy: 0.5397684087445177
Energy: 0.6570851779087945
Energy: 0.5592447829352677
Energy: 0.520079066824086
Energy: 0.5592447829352677
Energy: 0.5218700378703085
Energy: 0.5598366810629614
Energy: 0.783697688326837
Energy: 0.5598366810623833
Energy: 0.6839161472575677
Energy: 0.5795290082336171
Energy: 0.5210987880461893
Energy: 0.5795290082330389
Energy: 0.5209165744038792
Energy: 0.5598183547710477
Energy: 0.6210022134622869
Energy: 0.5598183547710477
Energy: 0.9656192540250359
Energy: 0.5592537204643565
Energy: 0.523267123757657
Energy: 0.559253720462622
Energy: 0.5612516651528024
Energy: 0.5598683386453461
Energy: 0.45623603224228565
Energy: 0.5598683386470806
Energy: 0.992840594250459
Energy: 0.57932152626727
Energy: 0.5210604666343807
Energy: 0.57932152626727
Energy: 0.8514669325919665
Energy: 0.559451705123482
Energy: 0.45099377016150055
Energy: 0.559451705123482
Energy: 1.1917962891649325
Energy: 0.5595894983328586
Energy: 0.5232814387506699
Energy: 0.5595894994551674
Energy: 0.8860658091945274
Energy: 0.5594028210235142
Energy: 0.45660250068368774
Energy: 0.5594028210235142
Energy: 1.079219806114576
Energy: 0.579293638445062
Energy: 0.5211220186878842
Energy: 0.5792936384433275
Energy: 0.8513655421473391
Energy: 0.559599143213987
Energy: 0.4501497551545187
Energy: 0.5595991432134088
Energy: 1.0575263555423875
Energy: 0.5596686257387951
Energy: 0.523248739594562
Energy: 0.5596686257387951
Energy: 0.5617447313865682
Energy: 0.5597965215162127
Energy: 0.6610177883642205
Energy: 0.5597965215237289
Energy: 0.8127462026066102
Energy: 0.5801528746194194
Energy: 0.5212546358029498
Energy: 0.5801528746194194
Energy: 0.5211316268801229
Energy: 0.5592732762937143
Energy: 0.656778457526846
Energy: 0.5592732762931361
Energy: 0.7832815104071849
Energy: 0.5596621717217256
Energy: 0.523312295246231
Energy: 0.5596621717234602
Energy: 0.5220346172620677
Energy: 0.788923143649462
Energy: 0.684010427819447
Energy: 0.7889231436500402
Energy: 0.4825868382174061
Energy: 0.5992600121912274
Energy: 0.5224177483061592
Energy: 0.5992600121929619
Energy: 0.5252118066276303
Energy: 0.5592257949234316
Energy: 0.9703727322562659
Energy: 0.5592257949228533
Energy: 0.4566210063226038
Energy: 0.5597791159919859
Energy: 0.5629378591311386
Energy: 0.5597791159902776
Energy: 0.5220774815371395
Energy: 0.7893728566100535
Energy: 0.9926172930958003
Energy: 0.7893728566112099

minimum gb energy = 0.4501497551545187 eV
minimum distance =  2.29701894003271 Angstroms
sigma value = 113


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

Energy: 0.018592458902899456
Energy: 0.01903570674720877
Energy: 0.7432211355794321
Energy: 0.019035706747653234
Energy: 0.7432705065070827
Energy: -0.5190415137838253
Energy: -0.5189293899617283
Energy: -0.5190415137838253
Energy: 0.01859245890245499
Energy: 0.019035706747653234
Energy: 0.7431856876663082
Energy: 0.019035706748097705
Energy: 0.7432705065070827
Energy: -0.5190415137838253
Energy: -0.5189293899608887
Energy: -0.5190415137833809
Energy: 0.01859245890245499
Energy: 0.019035706747653234
Energy: 0.7431827251670096
Energy: 0.019035706748097705
Energy: 0.7432705065070827
Energy: -0.5190415137833809
Energy: -0.5189293899617283
Energy: -0.5190415137842698

minimum gb energy = -0.5190415137842698 eV
minimum distance =  2.46773771032912 Angstroms
sigma value = 1