Model name: model_name=Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_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=3.604343503713608
cohesive_energy=4.24678472710697
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: 0.01650862329120735
Energy: 0.016937568589758766
Energy: 0.01659024264092586
Energy: 0.016937568589758766
Energy: 0.016937568589758766
Energy: 1.2762925193643733
Energy: 0.016937568589758766
Energy: 1.2762925193643733
Energy: 0.01659024264092586
Energy: 0.016937568589758766
Energy: 0.01650862329120735
Energy: 0.016937568589758766
Energy: 0.016937568589162885
Energy: 1.2762925193643733
Energy: 0.016937568589758766
Energy: 1.2762925193643733

minimum gb energy = 0.01650862329120735 eV
minimum distance =  2.48168802907071 Angstroms
sigma value = 1


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

Energy: 0.9554686560756225
Energy: 1.1091336332998278
Energy: 0.8168917534958049
Energy: 1.1091336332998278
Energy: 0.921671193809162
Energy: 1.102347431355092
Energy: 0.9192868447617957
Energy: 1.102347431355857
Energy: 0.9032706664419556
Energy: 1.0985171809207757
Energy: 0.9140811928218815
Energy: 1.0985171809207757
Energy: 0.9058281887446615
Energy: 1.115797611841894
Energy: 0.9190114737264897
Energy: 1.1157976118411288
Energy: 0.9092731938050129
Energy: 1.1119262100682528
Energy: 0.9213322435180237
Energy: 1.1119262100682528
Energy: 0.864812823720952
Energy: 1.2921641548717178
Energy: 0.9045712241384742
Energy: 1.2921641548717178
Energy: 0.9245756087074253
Energy: 1.0978362211931518
Energy: 0.8663576714187883
Energy: 1.0978362211931518
Energy: 0.7916488804759453
Energy: 1.1097613437834426
Energy: 0.8937651545755576
Energy: 1.1097613437834426
Energy: 0.9150489593028895
Energy: 1.2605643953558465
Energy: 0.9186705453112568
Energy: 1.2605643953573766
Energy: 0.9057621830983786
Energy: 1.0986572262493932
Energy: 0.7773000660505024
Energy: 1.0986572262501584
Energy: 0.9149271450532187
Energy: 1.0349794546475473
Energy: 0.915019686760408
Energy: 1.0349794546475473
Energy: 0.8687089689650458
Energy: 1.1105516434013982
Energy: 0.920337690270814
Energy: 1.1105516434013982
Energy: 0.9192384774967384
Energy: 1.0983119107671717
Energy: 0.9250394398223927
Energy: 1.0983119107671717
Energy: 0.9147242415338873
Energy: 1.1002835795996129
Energy: 0.9146109449871757
Energy: 1.1002835795996129
Energy: 0.9181318992560925
Energy: 1.1094139893560921
Energy: 0.912611652015852
Energy: 1.1094139893560921
Energy: 0.9061591588119869
Energy: 1.1107041782548588
Energy: 0.9118245758967664
Energy: 1.110704178255624
Energy: 0.9135420550239325
Energy: 1.0986198141951549
Energy: 0.8531477954760731
Energy: 1.0986198141951549
Energy: 0.9211133520904679
Energy: 1.0235896646104659
Energy: 0.9223034160525472
Energy: 1.0235896646104659
Energy: 0.7767098470102919
Energy: 1.1121708952613236
Energy: 0.9226302427712261
Energy: 1.1121708952620888
Energy: 0.9226614678629619
Energy: 0.9171427581134359
Energy: 0.9170606431631102
Energy: 0.9171427581134359
Energy: 0.9042333355707501
Energy: 1.0983086897403285
Energy: 0.8440483758845192
Energy: 1.0983086897403285
Energy: 0.9155928011566563
Energy: 1.2237887579325026
Energy: 0.9065588065520057
Energy: 1.2237887579332678
Energy: 0.92024133527758
Energy: 1.111964760578983
Energy: 0.8508667389304522
Energy: 1.111964760578983
Energy: 0.9068701594348759
Energy: 1.101778818601577
Energy: 0.8651985441254162
Energy: 1.101778818601577
Energy: 0.866060383835444
Energy: 1.2925145059309362
Energy: 0.9251646644497656
Energy: 1.2925145059309362
Energy: 0.9056423880843996
Energy: 1.1097329058139778
Energy: 0.8493575945656415
Energy: 1.1097329058139778
Energy: 0.9173482806012002
Energy: 1.2994442818711684
Energy: 0.9140812986990988
Energy: 1.2994442818711684
Energy: 0.8382995437178169
Energy: 1.0971604767975756
Energy: 0.9110256861682818
Energy: 1.0971604767975756
Energy: 0.9197208661904941
Energy: 1.1038822536815547
Energy: 0.914691580589751
Energy: 1.1038822536823196
Energy: 0.9217723028663815
Energy: 1.1100790485204708
Energy: 0.8679186118340106
Energy: 1.1100790485204708
Energy: 0.9268550973743527
Energy: 1.1015841453617137
Energy: 0.9179145893800016
Energy: 1.101584145362479
Energy: 0.9131799777261715
Energy: 1.0990513083547064
Energy: 0.9142316288980735
Energy: 1.0990513083554716
Energy: 0.9084911206194648
Energy: 1.1147197341983894
Energy: 0.921626487491873
Energy: 1.1147197341983894

minimum gb energy = 0.7767098470102919 eV
minimum distance =  2.2391807929337 Angstroms
sigma value = 1


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

Energy: 1.0384548547016352
Energy: 1.1938172401586467
Energy: 0.8779702274031406
Energy: 1.1938172401586467
Energy: 0.9782827208501745
Energy: 1.1140049357313104
Energy: 0.9786201826238504
Energy: 1.1140049357304382
Energy: 0.8993700122302356
Energy: 1.1982624284239227
Energy: 0.9963960174879031
Energy: 1.1982624284239227
Energy: 0.9804681811557295
Energy: 1.099354467276275
Energy: 0.9297656812956606
Energy: 1.0993544672771474
Energy: 0.9812782801052304
Energy: 1.1721306398505047
Energy: 0.9826646947553364
Energy: 1.1721306398505047
Energy: 0.9583546520686979
Energy: 1.1723849342398267
Energy: 0.9494963125818309
Energy: 1.1723849342406993
Energy: 0.9832714744292679
Energy: 0.9883552397015226
Energy: 0.9901118677347812
Energy: 0.9883552397032676
Energy: 0.831773316014208
Energy: 1.1930555022520724
Energy: 0.9088463877538135
Energy: 1.1930555022520724
Energy: 0.9765802754140898
Energy: 0.9921711423005817
Energy: 0.9781531189174549
Energy: 0.9921711423040716
Energy: 0.9858192160671951
Energy: 1.1969216202909208
Energy: 0.8792670298829577
Energy: 1.1969216202909208
Energy: 0.9834469873214354
Energy: 1.0930216503543462
Energy: 0.9877272116891838
Energy: 1.0930216503543462
Energy: 0.9071931696219119
Energy: 1.1825093438733179
Energy: 0.9980542747338995
Energy: 1.1825093438733179
Energy: 0.9866247902339526
Energy: 1.173508063474073
Energy: 0.9784119413142663
Energy: 1.1735080634749453
Energy: 0.9863054844204109
Energy: 1.1734623638633082
Energy: 0.9828991448281442
Energy: 1.1734623638633082
Energy: 0.9066379639543373
Energy: 1.1825312180883414
Energy: 0.9976376416378694
Energy: 1.1825312180892138
Energy: 0.9833241286076505
Energy: 1.0939310670923992
Energy: 0.9903065921243855
Energy: 1.093931067091527
Energy: 0.9863082178762708
Energy: 1.1972018924781918
Energy: 0.8490787773048569
Energy: 1.1972018924781918
Energy: 0.9766705668168425
Energy: 0.9897879128918957
Energy: 0.9781268478203153
Energy: 0.9897879128927681
Energy: 0.8318082872508391
Energy: 1.1927035069360157
Energy: 0.938745042890773
Energy: 1.1927035069360157
Energy: 0.9834934644286972
Energy: 0.9884208850950558
Energy: 0.9265073880450154
Energy: 0.9884208850959281
Energy: 0.9575721181874981
Energy: 1.1724045660766158
Energy: 0.9804106866842953
Energy: 1.1724045660766158
Energy: 0.9811443619598398
Energy: 1.1721463942902053
Energy: 0.9741630505421464
Energy: 1.1721463942893329
Energy: 0.9805186245617334
Energy: 1.0998713802330766
Energy: 0.9917649900086482
Energy: 1.0998713802330766
Energy: 0.8992811679201972
Energy: 1.1982787838883977
Energy: 0.9956893025388446
Energy: 1.1982787838883977
Energy: 0.9783162303296018
Energy: 1.1137042637153012
Energy: 0.9784838498161473
Energy: 1.1137042637153012
Energy: 1.0384548547007626
Energy: 1.1938172401586467
Energy: 0.902400593550344
Energy: 1.1938172401586467
Energy: 0.978282720849302
Energy: 1.1140049357304382
Energy: 0.9786201826238504
Energy: 1.1140049357304382
Energy: 0.8993700122302356
Energy: 1.1982624284239227
Energy: 0.9737937388410992
Energy: 1.1982624284239227
Energy: 0.980468181154857
Energy: 1.099354467276275
Energy: 0.9195158827247558
Energy: 1.099354467276275

minimum gb energy = 0.831773316014208 eV
minimum distance =  2.24142642908354 Angstroms
sigma value = 25


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

Energy: 1.1124426625521353
Energy: 1.2714088191277328
Energy: 0.9533376700350901
Energy: 1.2714088191277328
Energy: 1.0756864158595714
Energy: 1.1854301442721027
Energy: 1.0704282649067909
Energy: 1.1854301442731168
Energy: 0.9764157174511556
Energy: 1.2994140578032531
Energy: 1.0756425552780822
Energy: 1.2994140578042672
Energy: 1.0574907845592862
Energy: 1.2092455457368936
Energy: 1.0012699326358603
Energy: 1.2092455457358795
Energy: 1.0016616266056626
Energy: 1.2693979148667516
Energy: 1.0213441895180275
Energy: 1.2693979148657375
Energy: 1.0530583845691444
Energy: 1.2994944513278361
Energy: 1.0726956463814843
Energy: 1.2994944513278361
Energy: 1.0739104156380563
Energy: 1.0794869574260277
Energy: 1.0322061303116694
Energy: 1.0794869574250137
Energy: 0.9858482429001876
Energy: 1.275451323654991
Energy: 0.9312760651451327
Energy: 1.275451323654991
Energy: 1.0327756925039102
Energy: 1.1858769264143059
Energy: 1.0743949701475382
Energy: 1.1858769264143059
Energy: 1.0803499754177395
Energy: 1.2990697888030833
Energy: 0.9901688632521108
Energy: 1.2990697888030833
Energy: 1.060985788985482
Energy: 1.271285381431919
Energy: 1.0671004970023465
Energy: 1.271285381431919
Energy: 1.0050845716940824
Energy: 1.2724669962981507
Energy: 1.0713690395190167
Energy: 1.2724669962981507
Energy: 1.0752526224352406
Energy: 1.2055557064292248
Energy: 0.9889105929969753
Energy: 1.2055557064282103
Energy: 1.031630569603239
Energy: 1.0735965975911532
Energy: 1.0756421774153269
Energy: 1.0735965975911532
Energy: 0.9194562105693648
Energy: 1.2712367859685683
Energy: 0.9288345332592357
Energy: 1.2712367859695826
Energy: 1.0719407148019209
Energy: 1.0791143066529496
Energy: 1.0067963129081694
Energy: 1.079114306651935
Energy: 0.8988103961925793
Energy: 1.2993252683278738
Energy: 0.8993405940570034
Energy: 1.2993252683278738
Energy: 1.0015338814334191
Energy: 1.1980719573643357
Energy: 1.0518619329861092
Energy: 1.1980719573643357
Energy: 1.0561690034648294
Energy: 1.209794078996324
Energy: 1.0016465186954602
Energy: 1.209794078996324
Energy: 1.0718314522860874
Energy: 1.2994547414381847
Energy: 1.0768320003572367
Energy: 1.2994547414381847
Energy: 1.0865383866684926
Energy: 1.1841431765582533
Energy: 1.0713350447079326
Energy: 1.1841431765582533
Energy: 1.1100865242071956
Energy: 1.2727565344654026
Energy: 1.0253179172093316
Energy: 1.2727565344654026
Energy: 1.0696526851219934
Energy: 1.1944466124178206
Energy: 1.0717648004252125
Energy: 1.1944466124168063
Energy: 0.9727126104717423
Energy: 1.3043556653031434
Energy: 1.0801477383150706
Energy: 1.3043556653021293
Energy: 1.068927809692217
Energy: 1.084859994320237
Energy: 1.0058962189393263
Energy: 1.0848599943222652

minimum gb energy = 0.8988103961925793 eV
minimum distance =  2.24875991234382 Angstroms
sigma value = 9


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

Energy: 1.2559299332785339
Energy: 1.2101227529197618
Energy: 1.043782673516258
Energy: 1.210122752918552
Energy: 1.1364746010621685
Energy: 1.3006589822725803
Energy: 1.1793314691946255
Energy: 1.3006589822725803
Energy: 1.062386774483502
Energy: 1.1998753179243373
Energy: 1.0951461527676392
Energy: 1.1998753179243373
Energy: 1.2043720543112493
Energy: 1.3039975738152079
Energy: 1.023159634963838
Energy: 1.3039975738139982
Energy: 1.1655518218694327
Energy: 1.2979002723322128
Energy: 1.1069444237136985
Energy: 1.2979002723322128
Energy: 0.975109258946736
Energy: 1.1949435146116691
Energy: 1.103801566992816
Energy: 1.1949435146116691
Energy: 1.2097272379962425
Energy: 1.0238978207775087
Energy: 1.0296500053439823
Energy: 1.0238978207775087
Energy: 1.0435986313160517
Energy: 1.1948224796600788
Energy: 1.0215031223322404
Energy: 1.1948224796600788
Energy: 1.2004027318572454
Energy: 1.300777150756381
Energy: 1.1745927365868545
Energy: 1.300777150756381
Energy: 1.2055825648838072
Energy: 1.1998740959700271
Energy: 1.1028708505731668
Energy: 1.1998740959700271
Energy: 1.0908860296495473
Energy: 1.3396282249346445
Energy: 1.0951542496938154
Energy: 1.3396282249346445
Energy: 1.2032790063310297
Energy: 1.2140087088627631
Energy: 1.0233151109996683
Energy: 1.2140087088627631
Energy: 0.9768628863629668
Energy: 1.2110974259690384
Energy: 0.9752266381199644
Energy: 1.2110974259690384
Energy: 1.0913814814286285
Energy: 1.2010072978663149
Energy: 1.1830125203415367
Energy: 1.2010072978663149
Energy: 0.9768444272649468
Energy: 1.2109475723839247
Energy: 1.0439622610497006
Energy: 1.2109475723851344
Energy: 1.2029539071099113
Energy: 1.213805222163472
Energy: 1.0233539697466338
Energy: 1.213805222163472
Energy: 1.0907781023629932
Energy: 1.3397899869790986
Energy: 1.0952858689456906
Energy: 1.3397899869778889
Energy: 1.2057270816421655
Energy: 1.1987121686040063
Energy: 1.1029114480362596
Energy: 1.1987121686040063
Energy: 1.2008029542045129
Energy: 1.3008143303705182
Energy: 1.107096877530594
Energy: 1.3008143303705182
Energy: 1.043505146381929
Energy: 1.1955047396925087
Energy: 1.021939210088576
Energy: 1.1955047396937186
Energy: 1.2097458623349175
Energy: 1.0237487766671827
Energy: 1.0296791697229337
Energy: 1.0237487766671827

minimum gb energy = 0.975109258946736 eV
minimum distance =  2.30803250378615 Angstroms
sigma value = 25


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

Energy: 1.1136621375019733
Energy: 1.4436228943729854
Energy: 1.1611290821550535
Energy: 1.4436228943729854
Energy: 1.0898204833520302
Energy: 1.4550983547835392
Energy: 1.0664507116888502
Energy: 1.4550983547850354
Energy: 1.0692979796078417
Energy: 1.4720545764011372
Energy: 1.0661148734329038
Energy: 1.4720545764011372
Energy: 1.1087554378712319
Energy: 1.4443351141947758
Energy: 1.1461640054592237
Energy: 1.4443351141947758
Energy: 1.1496945889479655
Energy: 1.0873607276209314
Energy: 1.1640390086820551
Energy: 1.0873607276209314
Energy: 1.0666867432596845
Energy: 1.4684001911016056
Energy: 1.0680288424294218
Energy: 1.4684001911016056
Energy: 1.1171221782514618
Energy: 1.276848979521979
Energy: 1.0672887868271337
Energy: 1.276848979521979
Energy: 1.1456557598248933
Energy: 1.440823500832227
Energy: 1.107730942748073
Energy: 1.440823500832227
Energy: 1.0662195290030994
Energy: 1.2849718915288562
Energy: 1.0908438845760589
Energy: 1.2849718915288562
Energy: 1.2043359238766067
Energy: 1.30873281671962
Energy: 1.068826946195172
Energy: 1.30873281671962
Energy: 1.1002894622017572
Energy: 1.443196186632489
Energy: 1.2175936132050391
Energy: 1.443196186632489
Energy: 1.0662913447355862
Energy: 1.1215296008052282
Energy: 1.2104628955079713
Energy: 1.1215296008052282
Energy: 1.1624299672057885
Energy: 1.4720950070428966
Energy: 1.0686675541703197
Energy: 1.4720950070428966
Energy: 1.0670119172218688
Energy: 1.4427993787622961
Energy: 1.1093619506603205
Energy: 1.4427993787622961
Energy: 1.0661249938923805
Energy: 1.4428314583697361
Energy: 1.1490267266747751
Energy: 1.4428314583697361
Energy: 1.0880414252238495
Energy: 1.3082279182733327
Energy: 1.0717439492384013
Energy: 1.3082279182733327
Energy: 1.0669200770755012
Energy: 1.1720298297775713
Energy: 1.2067530694785442
Energy: 1.1720298297775713

minimum gb energy = 1.0661148734329038 eV
minimum distance =  2.29588182217321 Angstroms
sigma value = 17


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

Energy: 1.2885619699686666
Energy: 1.2846359841556692
Energy: 1.2639796206675014
Energy: 1.2846359841556692
Energy: 1.2522174407507893
Energy: 1.262223772676849
Energy: 1.111997028725613
Energy: 1.262223772676849
Energy: 1.185599056669176
Energy: 1.2664231576450955
Energy: 1.1115020596877057
Energy: 1.2664231576450955
Energy: 1.1161464246968893
Energy: 1.2798880257176843
Energy: 1.248642669398786
Energy: 1.2798880257210739
Energy: 1.2311307500610662
Energy: 1.3691592594414508
Energy: 1.1756410655041607
Energy: 1.3691592594414508
Energy: 1.1366847254997985
Energy: 1.2794588832973892
Energy: 1.1619850606049327
Energy: 1.2794588832973892
Energy: 1.1189189920412201
Energy: 1.2610520789647646
Energy: 1.1161261246526657
Energy: 1.2610520789639172
Energy: 1.1645503217414037
Energy: 1.2862661102574142
Energy: 1.1294190505116644
Energy: 1.2862661102582618
Energy: 1.1311208567864528
Energy: 1.332336611015682
Energy: 1.2127049999697699
Energy: 1.3323366110148347
Energy: 1.268837953260047
Energy: 1.232791910309143
Energy: 1.1121552142193907
Energy: 1.2327919103082954
Energy: 1.1196437780332487
Energy: 1.2848555940504982
Energy: 1.1898669027555695
Energy: 1.2848555940504982
Energy: 1.1328024062765636
Energy: 1.2604131419314966
Energy: 1.1335605909249518
Energy: 1.2604131419314966
Energy: 1.2427718548963929
Energy: 1.2804998012383504
Energy: 1.286448599650774
Energy: 1.2804998012383504
Energy: 1.111637876893795
Energy: 1.4541483233119032
Energy: 1.202049524499219
Energy: 1.454148323311056
Energy: 1.209170684437806
Energy: 1.333698326074521
Energy: 1.1330458984388323
Energy: 1.333698326074521
Energy: 1.1806873594835523
Energy: 1.2857660268040245
Energy: 1.1640258459406019
Energy: 1.2857660268040245
Energy: 1.116346962031256
Energy: 1.327904053317645
Energy: 1.311032699623195
Energy: 1.327904053317645
Energy: 1.1859554663025997
Energy: 1.2712523990041318
Energy: 1.136591254145901
Energy: 1.2712523990041318
Energy: 1.2017187786692476
Energy: 1.339633845706254
Energy: 1.1726954124442879
Energy: 1.339633845706254
Energy: 1.2652719455442158
Energy: 1.2808359015735775
Energy: 1.1165105662255175
Energy: 1.2808359015727302
Energy: 1.1384892366391963
Energy: 1.2713715636279272
Energy: 1.1849452726224845
Energy: 1.2713715636279272
Energy: 1.1146019213399676
Energy: 1.2738513158500802
Energy: 1.2751336148627865
Energy: 1.2738513158500802
Energy: 1.229384930115183
Energy: 1.2853052015804434
Energy: 1.114511817993252
Energy: 1.2853052015804434
Energy: 1.219155153039332
Energy: 1.3378834290048889
Energy: 1.1860480362239787
Energy: 1.3378834290048889
Energy: 1.285751594229047
Energy: 1.2663392975949284
Energy: 1.1846787362716027
Energy: 1.266339297595776
Energy: 1.266219365055979
Energy: 1.280373539794706
Energy: 1.1156964077818377
Energy: 1.2803735397955536
Energy: 1.2035161004305415
Energy: 1.2749346236574959
Energy: 1.3105880463527813
Energy: 1.2749346236574959
Energy: 1.1618396749803428
Energy: 1.2937717469457517
Energy: 1.1863784920580809
Energy: 1.2937717469449042
Energy: 1.3190741543179947
Energy: 1.440838286741104
Energy: 1.1187513403881681
Energy: 1.4408382867419516
Energy: 1.129499547431732
Energy: 1.3403500918632554
Energy: 1.1865478232335078
Energy: 1.3403500918632554

minimum gb energy = 1.1115020596877057 eV
minimum distance =  2.23105718306481 Angstroms
sigma value = 53


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

Energy: 1.1152965639596302
Energy: 1.1126643795082172
Energy: 1.2160858740009555
Energy: 1.1126643795082172
Energy: 1.2545345342591925
Energy: 1.2300541439210828
Energy: 1.1334177678045083
Energy: 1.2300541439210828
Energy: 1.1159592222578192
Energy: 1.112348188669405
Energy: 1.2515042678530872
Energy: 1.112348188669405
Energy: 1.1159519863191936
Energy: 1.1122209107144967
Energy: 1.1729940339890454
Energy: 1.1122209107144967
Energy: 1.2548907517750298
Energy: 1.2299694358488682
Energy: 1.1137620619054014
Energy: 1.229969435850819
Energy: 1.1152965639596302
Energy: 1.1126643795082172
Energy: 1.2408208896669792
Energy: 1.1126643795082172
Energy: 1.2545345342591925
Energy: 1.2300541439210828
Energy: 1.1733003131516442
Energy: 1.2300541439210828
Energy: 1.1159592222597698
Energy: 1.112348188669405
Energy: 1.2510047087506204
Energy: 1.112348188669405
Energy: 1.1159519863191936
Energy: 1.1122209107144967
Energy: 1.2055730841649122
Energy: 1.1122209107144967
Energy: 1.2548907517769805
Energy: 1.229969435850819
Energy: 1.1537065801706352
Energy: 1.229969435850819
Energy: 1.1152965639596302
Energy: 1.1126643795082172
Energy: 1.2406660029123155
Energy: 1.1126643795082172
Energy: 1.2545345342591925
Energy: 1.2300541439210828
Energy: 1.2055339878442017
Energy: 1.2300541439210828
Energy: 1.1159592222597698
Energy: 1.112348188669405
Energy: 1.2509778527775672
Energy: 1.112348188669405

minimum gb energy = 1.1122209107144967 eV
minimum distance =  2.28190635860855 Angstroms
sigma value = 9


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

Energy: 1.2178083185829276
Energy: 1.25460910390024
Energy: 1.444411827154059
Energy: 1.2546091039009621
Energy: 1.3321992768821058
Energy: 1.2380658297825273
Energy: 1.1882052631490327
Energy: 1.2380658297832492
Energy: 1.1436536306845961
Energy: 1.1984937584399897
Energy: 1.1968183357968447
Energy: 1.1984937584399897
Energy: 1.2005604125258016
Energy: 1.2875571170207913
Energy: 1.1524573444113806
Energy: 1.2875571170236795
Energy: 1.2432802714157576
Energy: 1.2633365272806016
Energy: 1.1598757820030596
Energy: 1.2633365272813237
Energy: 1.201226219201783
Energy: 1.198204503102661
Energy: 1.1832776083625363
Energy: 1.198204503102661
Energy: 1.3614731081392781
Energy: 1.2568805202348543
Energy: 1.1885773011453569
Energy: 1.2568805202355762
Energy: 1.159353326380073
Energy: 1.2723352932875374
Energy: 1.259285244168554
Energy: 1.2723352932889815
Energy: 1.1464280775486857
Energy: 1.3095081442446828
Energy: 1.205165992725232
Energy: 1.3095081442446828
Energy: 1.1446892374210955
Energy: 1.2348723914593138
Energy: 1.189098297670064
Energy: 1.2348723914593138
Energy: 1.1614323206897315
Energy: 1.2193534618766633
Energy: 1.2962619631526702
Energy: 1.2193534618932702
Energy: 1.2835025350871292
Energy: 1.329211024910368
Energy: 1.1490330706277971
Energy: 1.3292110249118119
Energy: 1.1458035081631845
Energy: 1.2303522895772456
Energy: 1.2840270794478774
Energy: 1.2303522895772456
Energy: 1.2061348696518441
Energy: 1.5439482840562138
Energy: 1.2225113588171126
Energy: 1.5439482840562138
Energy: 1.2052040038083345
Energy: 1.2558276116587406
Energy: 1.225022355800766
Energy: 1.2558276116551303
Energy: 1.149418712767212
Energy: 1.309773497356734
Energy: 1.189539457730561
Energy: 1.3097734973589001
Energy: 1.200778773144012
Energy: 1.2556600159944433
Energy: 1.202895051941427
Energy: 1.2556600160153166
Energy: 1.1651460448547235
Energy: 1.2575029282099373
Energy: 1.3020200989946624
Energy: 1.2575029282099373
Energy: 1.3041691249706828
Energy: 1.228889841327196
Energy: 1.203096914752954
Energy: 1.2288898413250298
Energy: 1.190281663279956
Energy: 1.250838462312556
Energy: 1.2224371361427797
Energy: 1.250838462313278
Energy: 1.2059457713121633
Energy: 1.287470053802599
Energy: 1.20269789750167
Energy: 1.2874700538033208
Energy: 1.2209323981917954
Energy: 1.275081280061089
Energy: 1.1446760683656412
Energy: 1.2750812800603666
Energy: 1.2056685907197402
Energy: 1.2745771393272234
Energy: 1.1466400542441268
Energy: 1.2745771393286676
Energy: 1.3529885504237995
Energy: 1.1992027775953138
Energy: 1.159038623345653
Energy: 1.199202777598924
Energy: 1.1884436543636034
Energy: 1.3281904143845922
Energy: 1.4023179422310839
Energy: 1.3281904143874803
Energy: 1.1636423657138835
Energy: 1.1984470272771748
Energy: 1.1442795601173545
Energy: 1.1984470272771748
Energy: 1.1952123326056012
Energy: 1.2692774035187808
Energy: 1.2000347540723546
Energy: 1.2692774034177612
Energy: 1.2101014487705928
Energy: 1.2875322600376247
Energy: 1.2009292180727897
Energy: 1.2875322600383465
Energy: 1.1929497252606902
Energy: 1.198155812601765
Energy: 1.1432268233501195
Energy: 1.198155812601765
Energy: 1.188077624199789
Energy: 1.3302213683428674
Energy: 1.4040868541130582
Energy: 1.3302213683428674
Energy: 1.349653985532015
Energy: 1.2593092228978864
Energy: 1.158501257000324
Energy: 1.2593092228978864
Energy: 1.2284806840865627
Energy: 1.2584433563818191
Energy: 1.1446277129786604
Energy: 1.2584433563818191
Energy: 1.1886543732929469
Energy: 1.2756122773938101
Energy: 1.1436812064977917
Energy: 1.275612277393088
Energy: 1.1956494342513848
Energy: 1.2877376930653692
Energy: 1.200562113116376
Energy: 1.2877376930668132
Energy: 1.1598219119745676
Energy: 1.3032616127929748
Energy: 1.3608943157390898
Energy: 1.3032616127929748

minimum gb energy = 1.1432268233501195 eV
minimum distance =  2.29424631202898 Angstroms
sigma value = 73


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

Energy: 1.3070072688753709
Energy: 1.304182840901317
Energy: 1.2990692612003845
Energy: 1.3041828409001712
Energy: 1.2955878400293819
Energy: 1.3181996927806165
Energy: 1.2005242221130787
Energy: 1.3181996927806165
Energy: 1.1602976968872105
Energy: 1.1954523884941473
Energy: 1.1789326618941118
Energy: 1.1954523884930015
Energy: 1.125502132156584
Energy: 1.3206926301523392
Energy: 1.1814685852643398
Energy: 1.3206926301523392
Energy: 1.1695474863565871
Energy: 1.2938130958579128
Energy: 1.178726068195233
Energy: 1.2938130958579128
Energy: 1.182316170876884
Energy: 1.474146792307692
Energy: 1.2058981032173102
Energy: 1.474146792307692
Energy: 1.381297866321352
Energy: 1.343892657752977
Energy: 1.1550155876350212
Energy: 1.343892657752977
Energy: 1.149680755228412
Energy: 1.213457577124989
Energy: 1.3251232711156475
Energy: 1.213457577124989
Energy: 1.2748894641261956
Energy: 1.2146892221003933
Energy: 1.211916102330364
Energy: 1.2146892221003933
Energy: 1.1575050852687097
Energy: 1.2520225748872036
Energy: 1.1565189033383547
Energy: 1.2520225748872036
Energy: 1.145630171827121
Energy: 1.2144543462338715
Energy: 1.245426067774729
Energy: 1.2144543462338715
Energy: 1.2587233114380034
Energy: 1.3235684683167073
Energy: 1.1246185531453892
Energy: 1.3235684683155617
Energy: 1.1815407601179388
Energy: 1.2890500671248217
Energy: 1.3539191746771353
Energy: 1.2890500671248217
Energy: 1.2642731021200126
Energy: 1.298272904501645
Energy: 1.1828655429811614
Energy: 1.298272904501645
Energy: 1.1684082785952274
Energy: 1.3313408716895707
Energy: 1.3613940847320367
Energy: 1.3313408716895707
Energy: 1.2451339345328307
Energy: 1.2138262673950397
Energy: 1.149963726074945
Energy: 1.2138262673938942
Energy: 1.2565959858040172
Energy: 1.2532151423478333
Energy: 1.1571104143591846
Energy: 1.2532151423478333
Energy: 1.2552347456684405
Energy: 1.419520836401928
Energy: 1.1565513831156737
Energy: 1.419520836401928
Energy: 1.1524878626360429
Energy: 1.213711421992069
Energy: 1.1494336077911185
Energy: 1.213711421992069
Energy: 1.2008961592261995
Energy: 1.2712241157234005
Energy: 1.4251316167586596
Energy: 1.2712241157245463
Energy: 1.2851493081629648
Energy: 1.4390797112063434
Energy: 1.1862527105257308
Energy: 1.4390797112051976
Energy: 1.2021739195451795
Energy: 1.3010540958025407
Energy: 1.2741199849923273
Energy: 1.3010540958025407

minimum gb energy = 1.1246185531453892 eV
minimum distance =  2.26495668544947 Angstroms
sigma value = 7


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

Energy: 1.243131619363686
Energy: 1.2385073465633332
Energy: 1.3078551347040537
Energy: 1.2385073465633332
Energy: 1.3343610194177966
Energy: 1.2621522330245778
Energy: 1.1973994764619094
Energy: 1.2621522330237676
Energy: 1.1671392228300879
Energy: 1.4542713262858564
Energy: 1.160827769068593
Energy: 1.4542713262858564
Energy: 1.1358048802310732
Energy: 1.3156077250374683
Energy: 1.1951699887823943
Energy: 1.3156077250374683
Energy: 1.1784225648956828
Energy: 1.274134074435679
Energy: 1.178897063714664
Energy: 1.274134074435679
Energy: 1.1704830480751776
Energy: 1.2383123567521894
Energy: 1.2557168988727363
Energy: 1.2383123567521894
Energy: 1.3668531764545175
Energy: 1.2865271580525128
Energy: 1.1778325768814208
Energy: 1.286527158059803
Energy: 1.1700708019449215
Energy: 1.2390594210403414
Energy: 1.3865741333975614
Energy: 1.2390594210395312
Energy: 1.2784071862977935
Energy: 1.296035293377446
Energy: 1.191685586362599
Energy: 1.296035293377446
Energy: 1.1750522209114829
Energy: 1.2826777154352706
Energy: 1.2627809871491764
Energy: 1.2826777154360807
Energy: 1.1411997122323467
Energy: 1.4513996377364986
Energy: 1.1561439918283547
Energy: 1.4513996377364986
Energy: 1.2173279561279806
Energy: 1.2744609889435965
Energy: 1.1527670765937472
Energy: 1.2744609889435965
Energy: 1.2357199876512897
Energy: 1.2396029397309554
Energy: 1.1565605635793852
Energy: 1.2396029397309554
Energy: 1.1611591656555282
Energy: 1.2232037745357933
Energy: 1.1520373401795503
Energy: 1.2232037745357933
Energy: 1.1763548117879745
Energy: 1.3614920822530352
Energy: 1.367394413946162
Energy: 1.3614920822530352
Energy: 1.3079565046636985
Energy: 1.2236438923424013
Energy: 1.188380646279577
Energy: 1.2236438923432114
Energy: 1.1769420361817349
Energy: 1.281499743947765
Energy: 1.3104974941990382
Energy: 1.281499743947765
Energy: 1.1788635314674376
Energy: 1.2326385588678357
Energy: 1.152500277949651
Energy: 1.2326385588678357
Energy: 1.1738467899212377
Energy: 1.238423199704606
Energy: 1.156194505305603
Energy: 1.238423199705416
Energy: 1.17459854436477
Energy: 1.273593443217609
Energy: 1.153162581052426
Energy: 1.273593443217609
Energy: 1.1403345523730233
Energy: 1.3140796780384936
Energy: 1.1919506571158596
Energy: 1.3140796780401138
Energy: 1.1752379753887503
Energy: 1.3325039528950822
Energy: 1.330540920658853
Energy: 1.3325039528950822
Energy: 1.3193233284408488
Energy: 1.2691957968106216
Energy: 1.174787671101364
Energy: 1.2691957968106216
Energy: 1.2460457410942276
Energy: 1.2391444227630626
Energy: 1.2460431018264122
Energy: 1.2391444227630626
Energy: 1.1986063421281374
Energy: 1.2740283179428225
Energy: 1.1736029864136217
Energy: 1.2740283179428225
Energy: 1.1353264139526558
Energy: 1.451165015464878
Energy: 1.1470649014124805
Energy: 1.451165015463258
Energy: 1.1672901711706674
Energy: 1.2829151417836782
Energy: 1.2182363001898522
Energy: 1.282915141784488
Energy: 1.13611668679294
Energy: 1.280815066458907
Energy: 1.2007921586102932
Energy: 1.280815066458907
Energy: 1.1665708202011111
Energy: 1.2388232437905227
Energy: 1.2731415363374297
Energy: 1.2388232437921427
Energy: 1.3853843998315936
Energy: 1.211890786869619
Energy: 1.1931505824623456
Energy: 1.211890786869619
Energy: 1.1665867249439565
Energy: 1.2386538913074494
Energy: 1.3339034860973695
Energy: 1.2386538913074494

minimum gb energy = 1.1353264139526558 eV
minimum distance =  2.25032107230572 Angstroms
sigma value = 29


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

Energy: 1.1731840491544687
Energy: 1.1646872577192455
Energy: 1.158913559853153
Energy: 1.1646872577189633
Energy: 1.11533703791001
Energy: 1.1868025287080775
Energy: 1.1884477384966565
Energy: 1.1868025287080775
Energy: 1.1356189714553782
Energy: 1.2730098968495653
Energy: 1.1159216391579345
Energy: 1.2730098968492831
Energy: 1.1851297650697672
Energy: 1.2412857411097293
Energy: 1.188210044593768
Energy: 1.2412857411141498
Energy: 1.184155856040059
Energy: 1.2434071376090563
Energy: 1.2554989925560334
Energy: 1.2434071376090563
Energy: 1.0680290930136083
Energy: 1.2723870176558103
Energy: 1.0680527691822685
Energy: 1.2723870176560925
Energy: 1.136407810328275
Energy: 1.243354370889946
Energy: 1.183984594951666
Energy: 1.243354370889946
Energy: 1.1885595490460008
Energy: 1.2415316548090622
Energy: 1.1852126613200202
Energy: 1.241531654805457
Energy: 1.112043420402415
Energy: 1.2726565648326884
Energy: 1.132418564401043
Energy: 1.2726565648324064

minimum gb energy = 1.0680290930136083 eV
minimum distance =  2.26777546349703 Angstroms
sigma value = 5


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

Energy: 1.1386776966511087
Energy: 1.1434125414264746
Energy: 1.2605824568435948
Energy: 1.1434125414264746
Energy: 1.3734801195325945
Energy: 1.1147305319769718
Energy: 1.083325708503519
Energy: 1.1147305319762066
Energy: 1.0747384150743944
Energy: 1.1260426332723852
Energy: 1.2572382785312441
Energy: 1.1260426332677942
Energy: 1.0683156843951103
Energy: 1.187768064226199
Energy: 1.1097513909391463
Energy: 1.187768064226964
Energy: 1.101311193388356
Energy: 1.1949088594309443
Energy: 1.2527285582757413
Energy: 1.1949088594309443
Energy: 1.1093676203990495
Energy: 1.1462663360923244
Energy: 1.0878185605014217
Energy: 1.1462663360923244
Energy: 1.0771289282414727
Energy: 1.1942824515315458
Energy: 1.0770428440000006
Energy: 1.1942824515315458
Energy: 1.077464239902509
Energy: 1.1462810989049241
Energy: 1.0804347259206786
Energy: 1.1462810989049241
Energy: 1.1017594646096422
Energy: 1.193484344869126
Energy: 1.0764836628905503
Energy: 1.193484344869126
Energy: 1.108041165510887
Energy: 1.1953452836734928
Energy: 1.060884993063021
Energy: 1.1953452836734928
Energy: 1.0989453770203157
Energy: 1.1878670683191608
Energy: 1.0783557239252943
Energy: 1.1878670683191608
Energy: 1.0773636477285695
Energy: 1.1189504836902342
Energy: 1.1591252758340702
Energy: 1.1189504836894688
Energy: 1.1106398675729166
Energy: 1.1440252648516565
Energy: 1.1409989661482667
Energy: 1.1440252648516565
Energy: 1.1065160412495931
Energy: 1.1432255308657249
Energy: 1.2300970884547253
Energy: 1.1432255308657249
Energy: 1.2822712053595422
Energy: 1.1016899902168946
Energy: 1.0781289253409436
Energy: 1.1016899902168946
Energy: 1.1072310147819686
Energy: 1.125782753310228
Energy: 1.0834014591267223
Energy: 1.1257827533094629
Energy: 1.2541878828316764
Energy: 1.1212971611553713
Energy: 1.09083607036284
Energy: 1.1212971611576668
Energy: 1.1015696970798288
Energy: 1.1440215565785203
Energy: 1.1545427158352934
Energy: 1.1440215565777552
Energy: 1.0975624866944353
Energy: 1.1990289229260398
Energy: 1.0845584677223379
Energy: 1.1990289229260398
Energy: 1.0752761283653067
Energy: 1.218587004173219
Energy: 1.1162124819823722
Energy: 1.218587004173219
Energy: 1.0649851483615331
Energy: 1.1823507643473161
Energy: 1.1122987873030727
Energy: 1.1823507643473161
Energy: 1.1051168424389957
Energy: 1.193928008611364
Energy: 1.1001674493313518
Energy: 1.1939280086105986
Energy: 1.0861983070436347
Energy: 1.1446972620994762
Energy: 1.065527570997971
Energy: 1.1446972620994762
Energy: 1.158547652972163
Energy: 1.1880237837356502
Energy: 1.0753171081802337
Energy: 1.188023783734885
Energy: 1.1552293906606905
Energy: 1.1389062003101593
Energy: 1.0834651816041663
Energy: 1.1389062003101593
Energy: 1.125552976069542
Energy: 1.1431973629248526
Energy: 1.104418236058382
Energy: 1.1431973629256178
Energy: 1.1007679192356696
Energy: 1.0871000238643551
Energy: 1.119928066378881
Energy: 1.0871000238651203
Energy: 1.097939148909626
Energy: 1.1869512382544447
Energy: 1.1074031309442234
Energy: 1.1869512382536795
Energy: 1.0837389720677193
Energy: 1.1130591091364321
Energy: 1.4096120066703817
Energy: 1.113059109134902
Energy: 1.225860226992874
Energy: 1.1436240881828306
Energy: 1.101592118340151
Energy: 1.143624088184361
Energy: 1.0987897710570418
Energy: 1.1140682309853591
Energy: 1.2268519790705195
Energy: 1.1140682309853591
Energy: 1.2547647355585503
Energy: 1.1387110969112932
Energy: 1.0775241324219682
Energy: 1.1387110969135887
Energy: 1.1082516424141102
Energy: 1.188845577716543
Energy: 1.0740802001447034
Energy: 1.188845577716543

minimum gb energy = 1.060884993063021 eV
minimum distance =  2.26353423925546 Angstroms
sigma value = 1


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

Energy: 1.0928981873921608
Energy: 1.088473433997795
Energy: 1.0265493093566
Energy: 1.088473433997795
Energy: 1.3021800849170053
Energy: 1.047096676385031
Energy: 1.0532085754405736
Energy: 1.0470966763860887
Energy: 1.011786298086107
Energy: 1.0882886219568346
Energy: 1.448227687400545
Energy: 1.0882886219568346
Energy: 1.0570590400907938
Energy: 1.1520886896997193
Energy: 1.0524271122392979
Energy: 1.1520886896997193
Energy: 1.0132025366527395
Energy: 1.0874454461793959
Energy: 1.2606086088502069
Energy: 1.0874454461793959
Energy: 1.0148219939772358
Energy: 1.1458354217157711
Energy: 1.0525924527854924
Energy: 1.145835421714713
Energy: 1.0133141249547288
Energy: 1.192759773071983
Energy: 1.0635710203580977
Energy: 1.192759773071983
Energy: 1.0142346653195728
Energy: 1.0928276343885317
Energy: 1.0620517505035496
Energy: 1.0928276343874734
Energy: 1.0828371933622203
Energy: 1.0914980996704526
Energy: 1.0654190284428593
Energy: 1.0914980996704526
Energy: 1.0827405746300205
Energy: 1.0914399467103204
Energy: 1.0625592956171301
Energy: 1.0914399467092621
Energy: 1.014207051238876
Energy: 1.0928822947228565
Energy: 1.063425441833807
Energy: 1.0928822947228565
Energy: 1.0135816661040555
Energy: 1.1928678734953746
Energy: 1.0645131737922195
Energy: 1.1928678734953746
Energy: 1.0146154247753232
Energy: 1.1460202769459347
Energy: 1.052530848188084
Energy: 1.1460202769459347
Energy: 1.0135764325735583
Energy: 1.087275909548883
Energy: 1.1080070456291313
Energy: 1.087275909548883
Energy: 1.0559107551092874
Energy: 1.1450570853380475
Energy: 1.0523970742182525
Energy: 1.1450570853380475
Energy: 1.0117541652520623
Energy: 1.0889090605271918
Energy: 1.0691168575526655
Energy: 1.0889090605271918
Energy: 1.3023565328624243
Energy: 1.0469632327396665
Energy: 1.0532617433519298
Energy: 1.0469632327396665
Energy: 1.0928981873921608
Energy: 1.088473433997795
Energy: 1.2283844053135786
Energy: 1.088473433997795
Energy: 1.3021800849170053
Energy: 1.0470966763860887
Energy: 1.0532085754405736
Energy: 1.0470966763860887
Energy: 1.011786298087165
Energy: 1.0882886219578927
Energy: 1.448227687402661
Energy: 1.0882886219568346
Energy: 1.0570590400918518
Energy: 1.1520886896997193
Energy: 1.0524271122392979
Energy: 1.1520886896997193
Energy: 1.0132025366527395
Energy: 1.0874454461793959
Energy: 1.2606086088502069
Energy: 1.0874454461793959
Energy: 1.0148219939772358
Energy: 1.1458354217157711
Energy: 1.0525924527854924
Energy: 1.145835421714713
Energy: 1.0133141249547288
Energy: 1.192759773071983
Energy: 1.0635710203580977
Energy: 1.192759773071983

minimum gb energy = 1.0117541652520623 eV
minimum distance =  2.28171288030537 Angstroms
sigma value = 17


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

Energy: 1.0693860216428657
Energy: 1.0649740378735124
Energy: 1.3018041688240833
Energy: 1.0649740378722046
Energy: 1.2000445365745553
Energy: 1.0524069262288287
Energy: 1.0269231380520292
Energy: 1.0524069262301365
Energy: 1.025837027696195
Energy: 1.0478449909772318
Energy: 1.290698431383125
Energy: 1.0478449909772318
Energy: 1.0394227228980213
Energy: 1.0182560505411302
Energy: 1.0222486748114268
Energy: 1.0182560505404763
Energy: 1.0088075905389353
Energy: 1.1298351052705975
Energy: 1.2890631957005554
Energy: 1.1298351052719053
Energy: 0.9951292066999836
Energy: 1.2649392429617796
Energy: 1.0429855575112694
Energy: 1.2649392429617796
Energy: 1.0258908389715562
Energy: 1.1105510796169948
Energy: 1.078232530299822
Energy: 1.110551079616341
Energy: 1.006921419937989
Energy: 1.2682156146220103
Energy: 1.0067968123537998
Energy: 1.2682156146220103
Energy: 1.0617776540700492
Energy: 1.2733249670958264
Energy: 1.0345431218250039
Energy: 1.2733249670964804
Energy: 1.0685582806139764
Energy: 1.1007832315802897
Energy: 1.0283273171531673
Energy: 1.1007832315802897
Energy: 1.026291317213102
Energy: 1.2466635334696132
Energy: 1.0078296779909317
Energy: 1.2466635334696132
Energy: 1.0289621629486454
Energy: 1.1061108041908232
Energy: 1.011202962262449
Energy: 1.106110804190169
Energy: 0.9941745485193043
Energy: 1.263723081589174
Energy: 1.0248702169325632
Energy: 1.263723081589828
Energy: 1.011143610861303
Energy: 1.128630408541436
Energy: 1.0672795350421753
Energy: 1.128630408541436
Energy: 1.010524670099528
Energy: 1.255468368206427
Energy: 1.0754011694378465
Energy: 1.2554683682070809
Energy: 1.0256216572078087
Energy: 1.0483286475417508
Energy: 1.286472467465881
Energy: 1.0483286475417508
Energy: 1.0322495802605307
Energy: 1.2587678812147518
Energy: 1.0245134635701045
Energy: 1.2587678812147518
Energy: 1.0219446902653517
Energy: 1.0658346062025044
Energy: 1.017567140107883
Energy: 1.0658346062018504
Energy: 1.1890750552396494
Energy: 1.106737647180577
Energy: 1.0291468160033062
Energy: 1.1067376471786154
Energy: 1.0425992316767791
Energy: 1.0476947870613296
Energy: 1.179318419932658
Energy: 1.0476947870613296
Energy: 1.4268804388711591
Energy: 1.0424872409540182
Energy: 1.0247830371142872
Energy: 1.0424872409540182
Energy: 1.024746199097909
Energy: 1.0661615273300415
Energy: 1.3012985287072414
Energy: 1.0661615273300415
Energy: 1.1793961289084842
Energy: 1.037202564789186
Energy: 1.0436740424288908
Energy: 1.037202564790494
Energy: 1.0278854246681701
Energy: 1.110441290762568
Energy: 1.2011461414656377
Energy: 1.1104412907619141
Energy: 1.0258483177853932
Energy: 1.0667541079578817
Energy: 1.0214464646791768
Energy: 1.0667541079578817
Energy: 1.0249852389040441
Energy: 1.1313927207190144
Energy: 1.0449587288927096
Energy: 1.1313927207196683
Energy: 1.1613717298176967
Energy: 1.0920385769878482
Energy: 1.0277832408067076
Energy: 1.0920385769878482
Energy: 1.0783360717329447
Energy: 1.255108722723258
Energy: 1.0087978244444638
Energy: 1.255108722723912
Energy: 1.0807129127456543
Energy: 1.1293197909814618
Energy: 1.0089992947261206
Energy: 1.1293197909814618
Energy: 1.0256320563758987
Energy: 1.264748079199645
Energy: 1.0452972362423016
Energy: 1.264748079200299
Energy: 1.0102257878033916
Energy: 1.1299144067282627
Energy: 1.0301789920655267
Energy: 1.1299144067289166
Energy: 1.0086549615074212
Energy: 1.2454972856647415
Energy: 1.0240305096355997
Energy: 1.2454972856647415
Energy: 1.0268381927002836
Energy: 1.1015175838166633
Energy: 1.188518783791609
Energy: 1.1015175838147016
Energy: 1.0471525901252978
Energy: 1.2720747794372522
Energy: 1.0468480921971706
Energy: 1.2720747794359446
Energy: 1.0077171289869113
Energy: 1.0664773777012138
Energy: 1.0374522555763184
Energy: 1.0664773777012138
Energy: 1.0794845452606474
Energy: 1.1114980588859913
Energy: 1.0246442455518625
Energy: 1.1114980588866452
Energy: 1.0437463700082934
Energy: 1.2662462381459838
Energy: 0.9947750389625366
Energy: 1.2662462381472919
Energy: 1.2912474708770754
Energy: 1.1309169700553237
Energy: 1.0253358412382507
Energy: 1.130916970054016

minimum gb energy = 0.9941745485193043 eV
minimum distance =  2.27442670223488 Angstroms
sigma value = 89


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

Energy: 0.938200581621733
Energy: 0.9354409867097067
Energy: 1.328245313323898
Energy: 0.9354409867097067
Energy: 0.9397242548357115
Energy: 0.9750485074123636
Energy: 0.9414453718908948
Energy: 0.9750485074123636
Energy: 0.9412355753953068
Energy: 1.1056273100816263
Energy: 1.3274926284014503
Energy: 1.1056273100833374
Energy: 0.912561680922993
Energy: 0.9749645810824745
Energy: 0.9414541496441438
Energy: 0.9749645810824745
Energy: 0.9411199747233786
Energy: 1.0204046102906708
Energy: 1.5398740313949224
Energy: 1.0204046102906708
Energy: 0.9363243679779057
Energy: 0.9368314543979818
Energy: 0.9416008031360777
Energy: 0.9368314543979818
Energy: 0.9407301629983618
Energy: 1.1050553374503422
Energy: 0.9432684467921079
Energy: 1.1050553374503422
Energy: 0.8948471695930382
Energy: 1.019697041685891
Energy: 0.9413813467176076
Energy: 1.019697041685891
Energy: 0.9406407552335062
Energy: 1.0259405687513237
Energy: 0.9135466525508985
Energy: 1.0259405687513237
Energy: 0.9732812012622416
Energy: 0.93280806037907
Energy: 0.9356674950807357
Energy: 0.932808060377359
Energy: 0.9311131253213476
Energy: 0.9760377951478464
Energy: 0.9403997122622442
Energy: 0.9760377951478464
Energy: 0.9307419955067833
Energy: 1.1050131371194527
Energy: 0.9416884844383581
Energy: 1.1050131371194527
Energy: 0.9365594751887295
Energy: 0.9384165669950906
Energy: 0.8908783229104531
Energy: 0.9384165669950906
Energy: 0.9385424358182766
Energy: 1.02357198280653
Energy: 0.9382041219657505
Energy: 1.02357198280653
Energy: 0.9124463200713162
Energy: 0.9384561777664503
Energy: 0.9370051014855872
Energy: 0.9384561777647393

minimum gb energy = 0.8908783229104531 eV
minimum distance =  2.29443066049786 Angstroms
sigma value = 13


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

Energy: 0.9079689726302193
Energy: 0.8672265616269288
Energy: 0.8340863122517057
Energy: 0.8672265616262116
Energy: 1.33202748828861
Energy: 0.8941694376304476
Energy: 0.8512384288167121
Energy: 0.8941694376304476
Energy: 0.8707412059043785
Energy: 0.8677833958538672
Energy: 1.3289287496144957
Energy: 0.86778339585315
Energy: 0.8734217019560456
Energy: 0.8942878237261948
Energy: 0.8480583840738837
Energy: 0.8942878237269118
Energy: 0.8779110956364764
Energy: 0.9324308241810175
Energy: 0.8764392519593082
Energy: 0.9324308241810175
Energy: 0.8549629711816574
Energy: 0.8947674736578034
Energy: 0.8804391592700506
Energy: 0.8947674736592377
Energy: 0.8775433037404833
Energy: 0.9405839964416246
Energy: 1.1801544985933803
Energy: 0.9405839964416246
Energy: 0.8350770245667171
Energy: 0.8944262504486126
Energy: 0.8807878675314813
Energy: 0.8944262504471783
Energy: 0.878097298099861
Energy: 0.9387438699757065
Energy: 1.029348161076406
Energy: 0.9387438699764235
Energy: 1.0381222967268504
Energy: 0.9580553009154219
Energy: 0.848243827332181
Energy: 0.9580553009182905
Energy: 0.8776650419877597
Energy: 0.9585991724558981
Energy: 0.8516164200479962
Energy: 0.9585991724551809
Energy: 1.1755559783643275
Energy: 0.9580187083315559
Energy: 0.8518439539184386
Energy: 0.9580187083315559
Energy: 0.9147725249578397
Energy: 0.8858967993293263
Energy: 0.8519739677426471
Energy: 0.8858967993300435
Energy: 1.2034445573715629
Energy: 0.958212483957887
Energy: 0.8469696382121992
Energy: 0.9582124839571697
Energy: 0.8782123864504179
Energy: 0.8676860261411503
Energy: 0.8386568354985129
Energy: 0.8676860261418675
Energy: 0.8715155692240626
Energy: 0.9580448084183929
Energy: 0.8541868313922711
Energy: 0.9580448084191102
Energy: 0.8667063732309008
Energy: 0.8664884039825717
Energy: 0.8521842678244439
Energy: 0.8664884039797031
Energy: 0.8626434066605857
Energy: 0.9365165654289802
Energy: 0.8874982534186099
Energy: 0.9365165654289802
Energy: 0.8668417611582181
Energy: 0.9369547800487206
Energy: 0.8870971916186885
Energy: 0.9369547800480036
Energy: 0.8668707604836733
Energy: 0.9367858975746096
Energy: 0.8869787897986613
Energy: 0.9367858975753268
Energy: 0.8627553359342205
Energy: 0.9368632693791233
Energy: 0.8876254483902953
Energy: 0.9368632693791233
Energy: 0.8665826629766448
Energy: 0.8666361388774311
Energy: 0.8523573749694239
Energy: 0.8666361388759968
Energy: 0.8722097542571716
Energy: 0.9587315274216192
Energy: 0.8535305621939246
Energy: 0.9587315274223364
Energy: 0.8782367646836237
Energy: 0.867639010280494
Energy: 0.8449728522651894
Energy: 0.8676390102819282
Energy: 1.2034879507997358
Energy: 0.9582874708608021
Energy: 0.8470017436805977
Energy: 0.9582874708629536
Energy: 0.9154187152807637
Energy: 0.8862247955335609
Energy: 0.8540229584581336
Energy: 0.8862247955335609
Energy: 1.175850416551976
Energy: 0.9578456274682489
Energy: 0.85217622195204
Energy: 0.9578456274682489
Energy: 0.8777201441469717
Energy: 0.9590907391819703
Energy: 0.8532705958682378
Energy: 0.9590907391819703
Energy: 1.0381773498487796
Energy: 0.9582345248171255
Energy: 0.8481804794863752
Energy: 0.9582345248156913
Energy: 0.8779569734709275
Energy: 0.9389513120873542
Energy: 1.0311652290411228
Energy: 0.9389513120873542
Energy: 0.8345796932155076
Energy: 0.8949631082749977
Energy: 0.8807185021647032
Energy: 0.894963108271412
Energy: 0.8775684210711208
Energy: 0.9403420760549935
Energy: 1.1936615747864114
Energy: 0.9403420760542763
Energy: 0.8535153179292669
Energy: 0.8948665675036892
Energy: 0.8806558868243474
Energy: 0.894866567502972
Energy: 0.8777265567051071
Energy: 0.9323989615643404
Energy: 1.1857794733854305
Energy: 0.9323989615650574
Energy: 0.8725889147569451
Energy: 0.8942589406167495
Energy: 0.8480026178630949
Energy: 0.8942589406167495

minimum gb energy = 0.8340863122517057 eV
minimum distance =  2.30674415299864 Angstroms
sigma value = 37


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

Energy: 0.992855851460572
Energy: 0.850305092471317
Energy: 0.7357102687223459
Energy: 0.850305092471317
Energy: 1.451950338067619
Energy: 0.8239926434304953
Energy: 0.7642312380016366
Energy: 0.8239926434317292
Energy: 0.8131023371149119
Energy: 0.9276268526603186
Energy: 0.7797176663890835
Energy: 0.9276268526603186
Energy: 0.9083932560082032
Energy: 0.825122911788542
Energy: 0.7799065123015978
Energy: 0.825122911788542
Energy: 0.7785027320729132
Energy: 0.823759576978501
Energy: 0.7939995086668749
Energy: 0.823759576978501
Energy: 0.7461883174051894
Energy: 0.8243448841221949
Energy: 0.9225945140493121
Energy: 0.8243448841221949
Energy: 0.7939223550222635
Energy: 0.8728690191505388
Energy: 1.2040692009117209
Energy: 0.872869019149305
Energy: 0.7595170480504901
Energy: 0.8260941663270768
Energy: 0.8295627261603685
Energy: 0.8260941663270768
Energy: 0.7640595186722844
Energy: 0.8238906211762034
Energy: 1.0544853802702168
Energy: 0.8238906211762034
Energy: 1.1081090976220471
Energy: 0.9180018980289998
Energy: 0.9228702501831813
Energy: 0.9180018980277659
Energy: 0.7953435125033533
Energy: 0.8938778708720411
Energy: 0.919080379103831
Energy: 0.8938778708732749
Energy: 1.130017448940492
Energy: 0.8243858207482324
Energy: 0.7797191862412399
Energy: 0.8243858207482324
Energy: 0.9231622917239429
Energy: 0.8240804650987381
Energy: 0.8795104587095378
Energy: 0.8240804650987381
Energy: 1.2148208679406183
Energy: 0.8668148903445579
Energy: 0.7581389396267917
Energy: 0.8668148903445579
Energy: 0.9920737860201915
Energy: 0.8678187856579538
Energy: 0.7593139811099406
Energy: 0.8678187856579538
Energy: 0.9907694943545521
Energy: 0.8243919413082331
Energy: 0.7659637415869365
Energy: 0.8243919413082331
Energy: 0.9233108036271918
Energy: 0.9202952629612767
Energy: 0.729568627053339
Energy: 0.9202952629612767
Energy: 0.9197958185045292
Energy: 0.8945289755776532
Energy: 0.7750122876891664
Energy: 0.8945289755776532
Energy: 0.7760908101167101
Energy: 0.8263536807279144
Energy: 0.7721531082530751
Energy: 0.8263536807279144
Energy: 0.7719675613396406
Energy: 0.8244043395556924
Energy: 0.9246134256469309
Energy: 0.8244043395544586

minimum gb energy = 0.729568627053339 eV
minimum distance =  2.31575294537124 Angstroms
sigma value = 25


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

Energy: 0.740507395252137
Energy: 0.6860358169056375
Energy: 0.9278340663113329
Energy: 0.6860358169056375
Energy: 1.1217906488800082
Energy: 0.7108664602998654
Energy: 0.6908846404705794
Energy: 0.7108664602989021
Energy: 0.6863567665978629
Energy: 0.6851643944802821
Energy: 0.6300661217404114
Energy: 0.6851643944812454
Energy: 0.8858662462486252
Energy: 0.710943173218199
Energy: 0.6908801544137433
Energy: 0.710943173218199
Energy: 0.6898484957290159
Energy: 0.7108973770917582
Energy: 0.6449071181841263
Energy: 0.7108973770917582
Energy: 0.6448624496093309
Energy: 0.7105460930685552
Energy: 0.6909479798018334
Energy: 0.7105460930695185
Energy: 0.6929529848051702
Energy: 0.6848855139150033
Energy: 0.8863266256475725
Energy: 0.6848855139150033
Energy: 0.631554864058994
Energy: 0.7383642519656702
Energy: 0.6874287375439758
Energy: 0.7383642519656702
Energy: 0.6900046993482439
Energy: 0.7115036050112676
Energy: 1.0964660660657057
Energy: 0.7115036050103043
Energy: 0.6451448320778752
Energy: 0.6849954907550944
Energy: 0.7417588487960827
Energy: 0.684995490754131
Energy: 0.6928393940188324
Energy: 0.6847425071275021
Energy: 1.130235555847744
Energy: 0.6847425071275021
Energy: 0.9264157649593648
Energy: 0.7383330930926857
Energy: 0.6875104958086998
Energy: 0.7383330930984664
Energy: 0.6900838484693803
Energy: 0.7114410380626791
Energy: 0.8856391637816593
Energy: 0.7114410380626791
Energy: 0.9538565033661561
Energy: 0.9958417338613783
Energy: 0.6907479377112535
Energy: 0.9958417338623416
Energy: 0.6931804971688731
Energy: 0.6848943214122
Energy: 0.6452037332386833
Energy: 0.6848943214122
Energy: 0.9376104429595705
Energy: 0.7381904744972559
Energy: 0.6914631045179722
Energy: 0.7381904745126712
Energy: 0.6901145939557283
Energy: 0.7380830146971462
Energy: 0.6316255077122165
Energy: 0.7380830146981096
Energy: 0.9308162282053657
Energy: 0.7111256701413274
Energy: 0.6912870056497622
Energy: 0.7111256701413274
Energy: 0.7445865158098964
Energy: 0.6848060024060508
Energy: 0.6560718780440731
Energy: 0.6848060024060508
Energy: 1.1298977735910143
Energy: 0.8158083886831177
Energy: 0.6915790976491468
Energy: 0.8158083886831177
Energy: 0.690342883959214
Energy: 0.7385155733641738
Energy: 0.6232830818378684
Energy: 0.7385155733651374
Energy: 0.6829911904579055
Energy: 0.711101264633781
Energy: 0.6913341190695649
Energy: 0.711101264633781
Energy: 0.6905233550519303
Energy: 0.994813894646651
Energy: 0.9525925912310085
Energy: 0.9948138946456876
Energy: 0.6525403837251362
Energy: 0.8158972027374463
Energy: 0.6917251590932965
Energy: 0.8158972027374463
Energy: 0.6941829667649912
Energy: 0.7383050361252851
Energy: 0.9372544702978522
Energy: 0.7383050361262485
Energy: 0.6451150388304577
Energy: 0.7385033097054149
Energy: 0.6905127002814601
Energy: 0.7385033097054149

minimum gb energy = 0.6232830818378684 eV
minimum distance =  2.32383002407502 Angstroms
sigma value = 41


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

Energy: 1.0042229705899381
Energy: 0.6291721164266
Energy: 0.5692210245739119
Energy: 0.6291721164266
Energy: 1.3031789104808458
Energy: 0.6109615779816717
Energy: 0.597009476789292
Energy: 0.6109615779816717
Energy: 0.6299074552341629
Energy: 0.594653651428542
Energy: 1.1509715835376573
Energy: 0.5946536514293319
Energy: 0.9811000699877193
Energy: 0.6110775359561949
Energy: 0.5970880694790929
Energy: 0.611077535955405
Energy: 0.5944808498285005
Energy: 0.6485779732626249
Energy: 0.5806462709241922
Energy: 0.6485779732649946
Energy: 0.7832099990528872
Energy: 0.611862603083551
Energy: 0.5970095039393585
Energy: 0.611862603084341
Energy: 0.5964696321228526
Energy: 0.6113544500902702
Energy: 0.8572671024921427
Energy: 0.6113544500902702
Energy: 0.5816827896038321
Energy: 0.6290863652039457
Energy: 0.5950745961543408
Energy: 0.6290863652031559
Energy: 0.5983647628248723
Energy: 0.6288977638268634
Energy: 0.9545350499274201
Energy: 0.6288977638268634
Energy: 0.5602078605583594
Energy: 0.5944808045525873
Energy: 0.63049096566126
Energy: 0.5944808045525873
Energy: 0.5965086351549439
Energy: 0.6116287925557294
Energy: 1.1461498268972068
Energy: 0.6116287925565193
Energy: 0.5814093489189249
Energy: 0.6294405703268996
Energy: 1.0028299110498968
Energy: 0.6294405703268996
Energy: 0.598235872590619
Energy: 0.6316934631174389
Energy: 1.1453177435745985
Energy: 0.6316934631182288
Energy: 0.823384351777389
Energy: 0.694014642099811
Energy: 0.6304474345195498
Energy: 0.6940146421013907
Energy: 0.5966310683952468
Energy: 0.611383649611476
Energy: 0.9772897739649504
Energy: 0.611383649611476
Energy: 0.8317465126292045
Energy: 0.6283076304531712
Energy: 0.5949655957185965
Energy: 0.6283076304058146
Energy: 0.5985250279026415
Energy: 0.6303358636018647
Energy: 0.7812669777295991
Energy: 0.6303358635994951
Energy: 0.8242685271759485
Energy: 0.6944352757319843
Energy: 0.5969687089504648
Energy: 0.6944352757311946
Energy: 0.5963991237392241
Energy: 0.628998234033792
Energy: 0.5792272084695069
Energy: 0.628998234033002
Energy: 0.8497634957973773
Energy: 0.6282903228081874
Energy: 0.6004733509262471
Energy: 0.6282903228089773
Energy: 0.6322624978544769
Energy: 0.6314805462522098
Energy: 0.5700344354909047
Energy: 0.6314805462537896
Energy: 1.146182690496843
Energy: 0.6473508534564869
Energy: 0.5971565959605072
Energy: 0.647350853512532
Energy: 1.0002853722749567
Energy: 0.6288527349160156
Energy: 0.5793169749742929
Energy: 0.6288527349128561
Energy: 1.0083605890405276
Energy: 0.6303678896808332
Energy: 0.6006588533573732
Energy: 0.630367889681623
Energy: 0.6318493072719117
Energy: 0.6926871193018644
Energy: 0.5671864405772207
Energy: 0.6926871193010745
Energy: 0.9775070319913058
Energy: 0.6474777376448573
Energy: 0.5972834242736675
Energy: 0.647477737646437
Energy: 0.5965791507856512
Energy: 0.6282223695487249
Energy: 0.830215388734947
Energy: 0.6282223695510945
Energy: 0.6098139439488897
Energy: 0.6302554822388686
Energy: 0.6007616326222315
Energy: 0.6302554822380787
Energy: 0.5984200132785334
Energy: 0.6931008037870781
Energy: 0.8221501804709106
Energy: 0.6931008037862881
Energy: 0.5793447484764612
Energy: 0.6704753927482849
Energy: 0.5990460291749895
Energy: 0.6704753927490746
Energy: 0.6037003779379254
Energy: 0.6280695814209867
Energy: 0.8471045694988781
Energy: 0.6280695814225664
Energy: 0.5808463547607782
Energy: 0.6298260889666041
Energy: 0.6347489147343953
Energy: 0.6298260889658142

minimum gb energy = 0.5602078605583594 eV
minimum distance =  2.31161240586047 Angstroms
sigma value = 15


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

Energy: 0.9802920563271055
Energy: 0.5688284298295466
Energy: 0.9638208725667287
Energy: 0.5688284292503208
Energy: 1.3099798324999852
Energy: 0.5562504528968608
Energy: 0.5561176838525749
Energy: 0.5562504528968608
Energy: 0.67488603236362
Energy: 0.563905744181882
Energy: 0.5280674323055243
Energy: 0.5639057441812129
Energy: 1.0830277013502256
Energy: 0.5656124316095467
Energy: 0.5561817498016753
Energy: 0.5656124316021862
Energy: 0.6472550066819882
Energy: 0.8245888043973256
Energy: 0.5346181737304727
Energy: 0.8245888043966566
Energy: 0.9404221429669337
Energy: 0.5549024308986055
Energy: 0.5565118204372494
Energy: 0.5549024308986055
Energy: 0.5647257872730166
Energy: 0.5681982434405081
Energy: 0.6237725303771685
Energy: 0.5681982434411772
Energy: 0.7886320667613628
Energy: 0.5647542320241489
Energy: 0.5640014839864579
Energy: 0.5647542320241489
Energy: 0.5567961270505433
Energy: 0.5693886990235524
Energy: 0.9952393700194277
Energy: 0.569388699021545
Energy: 0.6174735664937007
Energy: 0.5559133672975616
Energy: 0.6461204072980795
Energy: 0.5559133672942159
Energy: 0.5556607302084463
Energy: 0.5545091971231342
Energy: 1.0847847599651494
Energy: 0.5545091971211268
Energy: 0.5243217802508913
Energy: 0.5657853382530432
Energy: 0.6733112688373944
Energy: 0.5657853382537124
Energy: 0.5568191338042905
Energy: 0.5748356668935014
Energy: 1.2319425296563067
Energy: 0.5748356668935014
Energy: 0.5291447325246867
Energy: 0.555616832952914
Energy: 0.9101944412327198
Energy: 0.5556168329515757
Energy: 0.5559524436282087
Energy: 0.5569840859028449
Energy: 1.154308487382705
Energy: 0.5569840859001683
Energy: 0.7472420501176088
Energy: 0.5634157843345486
Energy: 0.6729368350118009
Energy: 0.5634157843325412
Energy: 0.5570052314919459
Energy: 0.5766835483864686
Energy: 1.0813830521073495
Energy: 0.5766835483857995
Energy: 0.7518497597569045
Energy: 0.8231448523133046
Energy: 0.6461485011004011
Energy: 0.8231448523119662
Energy: 0.5569069348572238
Energy: 0.5545913850065731
Energy: 0.9427724749763533
Energy: 0.5545913850065731
Energy: 0.8278248637717536
Energy: 0.5547438557371984
Energy: 0.5641206287221446
Energy: 0.5547438557351909
Energy: 0.56537876382151
Energy: 0.5819219716709371
Energy: 0.7857998737909392
Energy: 0.5819219716695988
Energy: 0.8476275311402903
Energy: 0.5683644051125301
Energy: 0.5584182698622961
Energy: 0.5683644051158757
Energy: 0.6466511909286327
Energy: 0.5558815417460168
Energy: 0.614887315400983
Energy: 0.5558815417480241
Energy: 1.1246854431186117
Energy: 0.5541502206342965
Energy: 0.5561574054726897
Energy: 0.5541502206349656
Energy: 0.6737510688241037
Energy: 0.5824473642796654
Energy: 0.6069748479135921
Energy: 0.5824473643733439
Energy: 1.1029939979619061
Energy: 0.5682619383662648
Energy: 0.5586456771875004
Energy: 0.5682619383662648
Energy: 0.9753931197994171
Energy: 0.5645963713111662
Energy: 0.5276451878925907
Energy: 0.5645963713145118
Energy: 1.2262301441095218
Energy: 0.5543028866783559
Energy: 0.5559886286734158
Energy: 0.5543028866763485
Energy: 0.673952576785846
Energy: 0.8462866095164334
Energy: 0.5159990657697964
Energy: 0.846286609515095
Energy: 0.9613197259968814
Energy: 0.5765574689647511
Energy: 0.5586008145932724
Energy: 0.5765574689620745
Energy: 0.6464214680403887
Energy: 0.8213017352201631
Energy: 0.7501081109117239
Energy: 0.8213017352281927
Energy: 0.939492164442327
Energy: 0.5547295184997756
Energy: 0.557722193143995
Energy: 0.5547295185037904
Energy: 0.5656895356353842
Energy: 0.6377860768070143
Energy: 0.8260117330928781
Energy: 0.6377860768076833
Energy: 0.6361417274659584
Energy: 0.5818443849931187
Energy: 0.567310869587229
Energy: 0.5818443849937879
Energy: 0.5462033608185546
Energy: 0.6090714845739367
Energy: 0.8440569365052693
Energy: 0.6090714845772824
Energy: 0.6123951264834917
Energy: 0.5548767115897327
Energy: 0.6475083619843127
Energy: 0.5548767115904019
Energy: 0.5570590774322586
Energy: 0.6374770684221724
Energy: 1.1226630871337162
Energy: 0.6374770684221724

minimum gb energy = 0.5159990657697964 eV
minimum distance =  2.31517755008357 Angstroms
sigma value = 85


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

Energy: 0.8570278765878934
Energy: 0.5481326713060211
Energy: 0.6600469233083124
Energy: 0.5481326713054406
Energy: 1.2772194196585724
Energy: 0.5472857045948744
Energy: 0.5060854607266754
Energy: 0.5472857045960351
Energy: 0.8245375431678678
Energy: 0.5461568232804676
Energy: 0.6488735564813576
Energy: 0.5461568232804676
Energy: 1.0138172945980308
Energy: 0.547146842672351
Energy: 0.5060233119432491
Energy: 0.547146842672351
Energy: 0.5458495312374606
Energy: 0.5043905089608812
Energy: 0.433308003329936
Energy: 0.5043905089608812
Energy: 0.8833774151004529
Energy: 0.5460472088591332
Energy: 0.5058081919088061
Energy: 0.5460472088591332
Energy: 0.5047403808043841
Energy: 0.5647175645451593
Energy: 0.46607210933269244
Energy: 0.5647175645457396
Energy: 0.7519207739572756
Energy: 0.546263305650352
Energy: 0.5057695152448394
Energy: 0.5462633056497717
Energy: 0.5057877314174242
Energy: 0.5253072661610055
Energy: 0.6295906820757521
Energy: 0.5253072661604253
Energy: 0.5933380657888168
Energy: 0.5649391740857637
Energy: 0.5048989992928338
Energy: 0.5649391740851833
Energy: 0.5065365210100057
Energy: 0.5461081743027417
Energy: 0.9566928479765024
Energy: 0.5461081746867423
Energy: 0.43244758829598484
Energy: 0.54694502960157
Energy: 0.5462361027507907
Energy: 0.54694502960157
Energy: 0.5055829696227131
Energy: 0.5253670999339028
Energy: 1.0169105829279033
Energy: 0.5253670999339028
Energy: 0.425834032830636
Energy: 0.5464027105010325
Energy: 0.8221546027371212
Energy: 0.5464027105004521
Energy: 0.5065853938108056
Energy: 0.5473398743595909
Energy: 1.1533126639799927
Energy: 0.5473398743601712
Energy: 0.4322185380143514
Energy: 0.5455199286199535
Energy: 0.85555680419349
Energy: 0.5455199286211142
Energy: 0.505666252794411
Energy: 0.525434217699702
Energy: 1.1528488505215106
Energy: 0.5254342177002823
Energy: 0.6315955573696156
Energy: 0.5464046322956988
Energy: 0.822483399509286
Energy: 0.5464046322951184
Energy: 0.5065791261328254
Energy: 0.5465387151397572
Energy: 1.0215765089437552
Energy: 0.5465387151385965
Energy: 0.6375665739752565
Energy: 0.5455038469779746
Energy: 0.5462679870957178
Energy: 0.5455038469286719
Energy: 0.5056385609578186
Energy: 0.5256307530316785
Energy: 0.8831433363495785
Energy: 0.5256307530316785
Energy: 0.625486511358118
Energy: 0.5461428203738758
Energy: 0.5050009270349914
Energy: 0.5461428203750365
Energy: 0.5065069560946602
Energy: 0.5464753534787048
Energy: 0.7519622387499442
Energy: 0.5464753534798654
Energy: 0.6584975231822416
Energy: 0.5647263050700386
Energy: 0.5060866844361653
Energy: 0.5647263050700386
Energy: 0.5056453731319556
Energy: 0.5458476035729442
Energy: 0.5940782600465129
Energy: 0.5458476035729442
Energy: 0.9314995082041309
Energy: 0.5462759871139823
Energy: 0.5080516110216785
Energy: 0.5462759871151429
Energy: 0.5473916566713449
Energy: 0.5466775423425619
Energy: 0.4322507084414258
Energy: 0.5466775423425619
Energy: 0.9554291920501272
Energy: 0.56448551646403
Energy: 0.506035008846824
Energy: 0.5644855164646103
Energy: 0.821031048385573
Energy: 0.5454690045210607
Energy: 0.42634439519140066
Energy: 0.5454690045210607
Energy: 1.151671609912694
Energy: 0.5471246688732032
Energy: 0.5078341982704195
Energy: 0.5471246688737835
Energy: 0.8547223156752232
Energy: 0.5459970939190083
Energy: 0.43205505659535826
Energy: 0.5459970939195886
Energy: 1.0439282310117504
Energy: 0.5645511371152998
Energy: 0.506069719372669
Energy: 0.5645511371152998
Energy: 0.8209974859166066
Energy: 0.5455415402438057
Energy: 0.42299544449280285
Energy: 0.5455415402438057
Energy: 1.0198568650580442
Energy: 0.5472926358071384
Energy: 0.5078417892400612
Energy: 0.5472926358071384
Energy: 0.5474308569247154
Energy: 0.545391381426346
Energy: 0.6356071931951441
Energy: 0.5453913814269263
Energy: 0.7838285403190348
Energy: 0.5648797524324382
Energy: 0.5061235885850639
Energy: 0.5648797524324382
Energy: 0.5059022947833589
Energy: 0.5454633673846062
Energy: 0.6257046486364056
Energy: 0.5454633673840259
Energy: 0.751991848891987
Energy: 0.5465340755258616
Energy: 0.5079261958075852
Energy: 0.5465340755252813
Energy: 0.5068846546671417
Energy: 0.7865724220241456
Energy: 0.6584236157790756
Energy: 0.786572422024726
Energy: 0.4615937694576332
Energy: 0.5831626856874123
Energy: 0.5070704151441567
Energy: 0.5831626856914747
Energy: 0.509451837191647
Energy: 0.5454112465808213
Energy: 0.9299107381027425
Energy: 0.5454112465796606
Energy: 0.4323255348674965
Energy: 0.5465895866564843
Energy: 0.549278514347285
Energy: 0.546589586655904
Energy: 0.5069029563490983
Energy: 0.7868220643418812
Energy: 0.9625816776717833
Energy: 0.7868220643418812

minimum gb energy = 0.42299544449280285 eV
minimum distance =  2.25966733018778 Angstroms
sigma value = 113


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

Energy: 0.018680448554626434
Energy: 0.019510426892939633
Energy: 0.7094014344346237
Energy: 0.019510426892939633
Energy: 0.7090831928532656
Energy: -0.5052013677271787
Energy: -0.5031609046140819
Energy: -0.5052013677271787
Energy: 0.018680448554626434
Energy: 0.019510426892939633
Energy: 0.7094014362581277
Energy: 0.019510426892939633
Energy: 0.7090831928537118
Energy: -0.5052013677267325
Energy: -0.5031609046132391
Energy: -0.5052013677271787
Energy: 0.018680448554626434
Energy: 0.019510426892939633
Energy: 0.7094014338956921
Energy: 0.019510426892939633
Energy: 0.7090831928541083
Energy: -0.5052013677267325
Energy: -0.503160904614528
Energy: -0.5052013677267325

minimum gb energy = -0.5052013677271787 eV
minimum distance =  2.456216268606 Angstroms
sigma value = 1