Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_001
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=4.242432871230321
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: 0.016433621671871967
Energy: 0.017088009705096437
Energy: 1.1486887470707048
Energy: 0.017088009704467867
Energy: 0.017088009705096437
Energy: 1.212875289145943
Energy: 0.017088009704467867
Energy: 1.2128752891465717
Energy: 1.1486887470707048
Energy: 0.017088009705096437
Energy: 0.016433621671871967
Energy: 0.017088009704467867
Energy: 0.017088009704467867
Energy: 1.212875289145943
Energy: 0.017088009705096437
Energy: 1.212875289145943

minimum gb energy = 0.016433621671871967 eV
minimum distance =  2.48771666383473 Angstroms
sigma value = 1


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

Energy: 0.9933436586777598
Energy: 1.09759408536432
Energy: 0.8421487144694992
Energy: 1.09759408536432
Energy: 0.9563117799751361
Energy: 1.0880231531153264
Energy: 0.9569212523268381
Energy: 1.0880231531153264
Energy: 0.9005521537117417
Energy: 1.0848152916784042
Energy: 0.947359945879664
Energy: 1.0848152916776417
Energy: 0.9372353104498801
Energy: 1.1063827740343486
Energy: 0.9478316484544065
Energy: 1.1063827740343486
Energy: 0.9418524890122061
Energy: 1.1006037373224515
Energy: 0.9470417190877864
Energy: 1.1006037373232136
Energy: 0.8945640609327781
Energy: 1.2905258750775208
Energy: 0.9269246513149985
Energy: 1.2905258750775208
Energy: 0.9599868338581281
Energy: 1.085928386724518
Energy: 0.8964327193474714
Energy: 1.0859283867237555
Energy: 0.8170871728159325
Energy: 1.09882921708681
Energy: 0.9166928203816769
Energy: 1.09882921708681
Energy: 0.9495589271540278
Energy: 0.95303791797014
Energy: 0.9483971717184927
Energy: 0.9530379179693776
Energy: 0.9289924004127742
Energy: 1.0850947512629798
Energy: 0.8017851091586904
Energy: 1.0850947512629798
Energy: 0.9461039417941315
Energy: 1.0447342989947728
Energy: 0.9475262409704817
Energy: 1.0447342989947728
Energy: 0.9001385347403752
Energy: 1.0987097293176105
Energy: 0.9436906521962858
Energy: 1.0987097293191352
Energy: 0.9567345187085744
Energy: 1.0844089941200632
Energy: 0.9591352273606787
Energy: 1.0844089941208255
Energy: 0.9587250310408294
Energy: 1.0922326168317906
Energy: 0.9430463779481014
Energy: 1.0922326168317906
Energy: 0.9519195255757413
Energy: 1.0983302827790622
Energy: 0.9493535043617792
Energy: 1.0983302827782997
Energy: 0.9495773169879599
Energy: 1.0978521745109908
Energy: 0.9492655913870238
Energy: 1.0978521745109908
Energy: 0.9478309411989739
Energy: 1.0847762108406185
Energy: 0.874649836609192
Energy: 1.0847762108406185
Energy: 0.9583056094973235
Energy: 1.0840182175501898
Energy: 0.95650884185391
Energy: 1.0840182175501898
Energy: 0.8576044307417772
Energy: 1.0992537468458685
Energy: 0.9482768557615617
Energy: 1.0992537468466308
Energy: 0.961659466966831
Energy: 0.9528412254418134
Energy: 0.9494095744668989
Energy: 0.9528412254425758
Energy: 0.9261550860915001
Energy: 1.0846576817275524
Energy: 0.835189503143218
Energy: 1.0846576817275524
Energy: 0.9480279116031199
Energy: 1.1066390177346406
Energy: 0.9406167580341264
Energy: 1.106639017735403
Energy: 0.9489932661591698
Energy: 1.1008620170749388
Energy: 0.8797271723668981
Energy: 1.1008620170741763
Energy: 0.9351002774481012
Energy: 1.0845215468029163
Energy: 0.8956282775956191
Energy: 1.0845215468021538
Energy: 0.8965757698736949
Energy: 1.2939519213608186
Energy: 0.9595307875636779
Energy: 1.2939519213608186
Energy: 0.9377181608716472
Energy: 1.0991410684957914
Energy: 0.880629083834369
Energy: 1.0991410684957914
Energy: 0.9392219219900072
Energy: 1.0889292814483063
Energy: 0.9472254089768418
Energy: 1.0889292814483063
Energy: 0.8701808170217743
Energy: 1.0839356252694343
Energy: 0.9484737272647404
Energy: 1.0839356252694343
Energy: 0.9543516135031648
Energy: 1.0947349885356572
Energy: 0.9517458196948355
Energy: 1.0947349885356572
Energy: 0.9630978280886843
Energy: 1.0983447220471578
Energy: 0.9001202849600121
Energy: 1.0983447220463955
Energy: 0.9602632126316278
Energy: 1.091051324270146
Energy: 0.9549396941439324
Energy: 1.091051324270146
Energy: 0.9402999325226576
Energy: 1.0857675555022872
Energy: 0.9587756852191403
Energy: 1.0857675555030497
Energy: 0.9410896944875918
Energy: 1.1063844220911396
Energy: 0.9499282517072167
Energy: 1.1063844220919021

minimum gb energy = 0.8017851091586904 eV
minimum distance =  2.28020440906637 Angstroms
sigma value = 1


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

Energy: 1.0633171922894653
Energy: 1.184060655173409
Energy: 0.9424591687314805
Energy: 1.184060655174278
Energy: 1.0096078398481885
Energy: 1.1215311516754578
Energy: 1.0110625331711816
Energy: 1.1215311516737194
Energy: 0.9278902208616224
Energy: 1.1832911107390078
Energy: 1.0208733466506825
Energy: 1.1832911107381385
Energy: 1.0030576511777818
Energy: 1.103992665462391
Energy: 0.9530564272799831
Energy: 1.1039926654615215
Energy: 1.0036194025222271
Energy: 1.1610804334645282
Energy: 0.9668833096174599
Energy: 1.1610804334619207
Energy: 0.9889802218754112
Energy: 1.1610783068265176
Energy: 0.9296081272344076
Energy: 1.1610783068265176
Energy: 1.009396861049697
Energy: 1.112309380237793
Energy: 1.0158950565369353
Energy: 1.1123093802395314
Energy: 0.8538850891501043
Energy: 1.18336810622055
Energy: 0.9596901628261969
Energy: 1.1833681062222885
Energy: 1.003800493393443
Energy: 1.0258989919931614
Energy: 1.0154608458797714
Energy: 1.0258989919966381
Energy: 1.006655583807664
Energy: 1.1833233952199687
Energy: 0.9123403086611326
Energy: 1.1833233952199687
Energy: 1.0091135114201704
Energy: 1.1048141901001562
Energy: 1.0115333059124154
Energy: 1.1048141900992872
Energy: 0.9305040754857181
Energy: 1.1720902188081699
Energy: 1.0139224208655961
Energy: 1.1720902188081699
Energy: 1.029119132032045
Energy: 1.1615678043111393
Energy: 0.993919761495887
Energy: 1.1615678043120083
Energy: 1.0220033904228958
Energy: 1.1615540333641112
Energy: 1.0024170912865509
Energy: 1.1615540333649803
Energy: 0.9305617068884617
Energy: 1.1719684421021832
Energy: 1.0137601867060362
Energy: 1.1719684421021832
Energy: 1.0092637573727152
Energy: 1.1049854456060577
Energy: 1.015882923201059
Energy: 1.1049854456051886
Energy: 1.0069983881361955
Energy: 1.1832792927551132
Energy: 0.8914957613712675
Energy: 1.183279292754244
Energy: 1.0037378979043756
Energy: 1.0263514212142282
Energy: 1.0156605851723344
Energy: 1.0263514212150973
Energy: 0.8536538659804478
Energy: 1.1835089544505235
Energy: 0.9600367518605122
Energy: 1.1835089544505235
Energy: 1.0091860039851377
Energy: 1.1056753813014821
Energy: 0.9528544225488613
Energy: 1.1056753813032203
Energy: 0.9885009905336563
Energy: 1.1613414902686674
Energy: 0.9990127683475124
Energy: 1.1613414902686674
Energy: 1.0035983510737674
Energy: 1.161056563675131
Energy: 0.9986690348151221
Energy: 1.161056563675131
Energy: 1.0039487854471414
Energy: 1.1038788830047472
Energy: 1.0162850725526602
Energy: 1.1038788830038782
Energy: 0.9278285746204121
Energy: 1.1830284391947676
Energy: 1.0210515010021792
Energy: 1.1830284391938983
Energy: 1.009614086342893
Energy: 1.121115808966057
Energy: 1.0110156844485103
Energy: 1.1211158089651876
Energy: 1.0633171922885962
Energy: 1.184060655173409
Energy: 0.9433351573255113
Energy: 1.184060655174278
Energy: 1.0096078398499269
Energy: 1.1215311516754578
Energy: 1.0110625331711816
Energy: 1.1215311516745885
Energy: 0.9278902208616224
Energy: 1.1832911107390078
Energy: 1.0054651295743111
Energy: 1.1832911107381385
Energy: 1.0030576511769127
Energy: 1.103992665462391
Energy: 0.9446485452519559
Energy: 1.1039926654615215

minimum gb energy = 0.8536538659804478 eV
minimum distance =  2.27617941416164 Angstroms
sigma value = 25


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

Energy: 1.1335161577778878
Energy: 1.2584231574471598
Energy: 0.9643326353464299
Energy: 1.2584231574471598
Energy: 1.1012448551337866
Energy: 1.1873415017605835
Energy: 1.0891113563399997
Energy: 1.1873415017605835
Energy: 1.0012160033589357
Energy: 1.2896045352325571
Energy: 1.0933317711372403
Energy: 1.2896045352325571
Energy: 1.0732699459067792
Energy: 1.2134107318432463
Energy: 1.023834727741691
Energy: 1.2134107318442569
Energy: 1.023911954308611
Energy: 1.2571344636139685
Energy: 1.015126232330107
Energy: 1.2571344636139685
Energy: 1.0795125144004838
Energy: 1.2903661262462551
Energy: 1.0997168700216797
Energy: 1.2903661262462551
Energy: 1.1024216963318274
Energy: 1.0984200436900764
Energy: 1.0584164254454298
Energy: 1.0984200436900764
Energy: 1.0203545120560877
Energy: 1.262340196629496
Energy: 0.9484091521411606
Energy: 1.2623401966305066
Energy: 1.0585781522831574
Energy: 1.1864421886482486
Energy: 1.1025061485429535
Energy: 1.186442188649259
Energy: 1.0969048967075372
Energy: 1.2902456034310903
Energy: 1.0067954601000606
Energy: 1.2902456034321006
Energy: 1.0785139385378895
Energy: 1.258103967109411
Energy: 1.089559555369309
Energy: 1.258103967109411
Energy: 1.0301686188292614
Energy: 1.2597439890996627
Energy: 1.0887955507907685
Energy: 1.2597439890986522
Energy: 1.0926658680745884
Energy: 1.2094788151394964
Energy: 1.0068901660461556
Energy: 1.2094788151394964
Energy: 1.0574778790093025
Energy: 1.1001339043622127
Energy: 1.101026783956775
Energy: 1.1001339043622127
Energy: 0.9898714776722776
Energy: 1.2582756667461623
Energy: 0.9461236305541055
Energy: 1.2582756667461623
Energy: 1.0898724981976833
Energy: 1.0984422170071506
Energy: 1.0252858031640986
Energy: 1.0984422170071506
Energy: 0.9161412920267107
Energy: 1.2897520616637015
Energy: 0.9164073877090774
Energy: 1.2897520616637015
Energy: 1.0240846395871672
Energy: 1.2584851948065747
Energy: 1.0756191610764347
Energy: 1.2584851948065747
Energy: 1.0074418156453127
Energy: 1.2136870319607227
Energy: 1.024259757296489
Energy: 1.2136870319597122
Energy: 1.0982924386240704
Energy: 1.2896666570261621
Energy: 1.093727237839439
Energy: 1.2896666570271724
Energy: 1.1076688349486725
Energy: 1.1866545849256969
Energy: 1.0909173151084581
Energy: 1.1866545849256969
Energy: 1.1292324697591827
Energy: 1.25997083302054
Energy: 1.0491443934420301
Energy: 1.2599708330195296
Energy: 1.1002279288698709
Energy: 1.1933866918386398
Energy: 1.0894955165438467
Energy: 1.1933866918396503
Energy: 0.9993372903188539
Energy: 1.294133117036202
Energy: 1.097145303943655
Energy: 1.2941331170372123
Energy: 1.0890675018263143
Energy: 1.1140431496175451
Energy: 1.0238009921674045
Energy: 1.1140431496175451

minimum gb energy = 0.9161412920267107 eV
minimum distance =  2.28010009271854 Angstroms
sigma value = 9


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

Energy: 1.285210402673798
Energy: 1.22893997571142
Energy: 1.0633861223151606
Energy: 1.2289399757126254
Energy: 1.152765227220066
Energy: 1.3031197504469105
Energy: 1.1907955950081928
Energy: 1.303119750445705
Energy: 1.0842361786772143
Energy: 1.2267544043291827
Energy: 1.108043543602491
Energy: 1.2267544043291827
Energy: 1.214699438486438
Energy: 1.3728760097465593
Energy: 1.0367224594184865
Energy: 1.3728760097465593
Energy: 1.1875857568974935
Energy: 1.2996465430421973
Energy: 1.1513365754747822
Energy: 1.2996465430421973
Energy: 0.9865426268909995
Energy: 1.2119418944012343
Energy: 1.1288913862069665
Energy: 1.2119418944012343
Energy: 1.221868253645952
Energy: 1.0371689898335394
Energy: 1.0413423617855253
Energy: 1.0371689898335394
Energy: 1.06797430418253
Energy: 1.2113242983805075
Energy: 1.032018145963384
Energy: 1.2113242983817127
Energy: 1.2160456000151323
Energy: 1.3032315054330164
Energy: 1.162381677872805
Energy: 1.3032315054330164
Energy: 1.2191665250992125
Energy: 1.2133470090037795
Energy: 1.1281201235327876
Energy: 1.2133470090037795
Energy: 1.1030548504901727
Energy: 1.3355712524083816
Energy: 1.151194613600875
Energy: 1.3355712524095866
Energy: 1.2180307282407636
Energy: 1.2152910800395174
Energy: 1.0371112307770818
Energy: 1.2152910800407226
Energy: 0.987423863435921
Energy: 1.226255281405041
Energy: 1.0825823833698833
Energy: 1.2262552814062464
Energy: 1.1082628554717335
Energy: 1.2158790460549278
Energy: 1.1927599049741489
Energy: 1.2158790460549278
Energy: 0.9874054891452319
Energy: 1.226024124655526
Energy: 1.0680409217852163
Energy: 1.2260241246543206
Energy: 1.2184061564771396
Energy: 1.2311504045558366
Energy: 1.037007337573719
Energy: 1.2311504045558366
Energy: 1.1027879113749812
Energy: 1.3356107980309888
Energy: 1.1075620616610033
Energy: 1.3356107980309888
Energy: 1.2193420381958346
Energy: 1.2133500107711346
Energy: 1.1284523071333146
Energy: 1.2133500107723398
Energy: 1.2160390474036313
Energy: 1.3032256049077455
Energy: 1.1226203567334463
Energy: 1.3032256049077455
Energy: 1.0681260502514327
Energy: 1.2111571878170537
Energy: 1.0329208574553694
Energy: 1.2111571878170537
Energy: 1.2221187037699404
Energy: 1.0372714289857121
Energy: 1.0413293503563876
Energy: 1.0372714289869174

minimum gb energy = 0.9865426268909995 eV
minimum distance =  2.33199894592807 Angstroms
sigma value = 25


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

Energy: 1.1222189026020142
Energy: 1.440596715118685
Energy: 1.2431309672735598
Energy: 1.440596715118685
Energy: 1.0967287109770554
Energy: 1.4542154192286079
Energy: 1.0731245732783685
Energy: 1.4542154192286079
Energy: 1.0752261142654476
Energy: 1.4745244039111276
Energy: 1.0728665570503768
Energy: 1.4745244039126182
Energy: 1.117702707726566
Energy: 1.4414987021553263
Energy: 1.1594952047237672
Energy: 1.4414987021553263
Energy: 1.1616110123634003
Energy: 1.0939063634286699
Energy: 1.1245934440373904
Energy: 1.0939063634271793
Energy: 1.079042169570314
Energy: 1.47119634507412
Energy: 1.0785035199853563
Energy: 1.47119634507412
Energy: 1.1244977554782678
Energy: 1.2785808283506532
Energy: 1.0738287404524944
Energy: 1.2785808283506532
Energy: 1.1591856375630842
Energy: 1.4385240862457507
Energy: 1.1170534776675594
Energy: 1.4385240862457507
Energy: 1.0729279307442325
Energy: 1.2879433538639622
Energy: 1.098028347998821
Energy: 1.2879433538639622
Energy: 1.2203610944777747
Energy: 1.312414613916401
Energy: 1.0756548770120455
Energy: 1.3124146139178916
Energy: 1.0928447184437176
Energy: 1.4406588348654614
Energy: 1.2330809666301557
Energy: 1.4406588348654614
Energy: 1.0732910084386376
Energy: 1.129788963645614
Energy: 1.2255518706938764
Energy: 1.129788963645614
Energy: 1.1825183095209586
Energy: 1.4748527209867528
Energy: 1.0743042355809105
Energy: 1.4748527209867528
Energy: 1.0737095438742235
Energy: 1.4405389902789285
Energy: 1.1184660399327233
Energy: 1.4405389902789285
Energy: 1.1222969191473182
Energy: 1.4402319406572976
Energy: 1.1618287151530262
Energy: 1.4402319406572976
Energy: 1.0948350382014025
Energy: 1.4752531358672167
Energy: 1.0786499051032272
Energy: 1.4752531358672167
Energy: 1.0737703415775992
Energy: 1.1752538611814682
Energy: 1.224843895076236
Energy: 1.1752538611814682

minimum gb energy = 1.0728665570503768 eV
minimum distance =  2.32161116373763 Angstroms
sigma value = 17


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

Energy: 1.3052934450669467
Energy: 1.2993199214809756
Energy: 1.2535509468652204
Energy: 1.2993199214809756
Energy: 1.2654902580534588
Energy: 1.2688080335578384
Energy: 1.1186491887287953
Energy: 1.2688080335586827
Energy: 1.192475375827958
Energy: 1.2785398784495934
Energy: 1.1181096547286076
Energy: 1.2785398784495934
Energy: 1.1217631207065872
Energy: 1.2992502901820913
Energy: 1.2621189513191067
Energy: 1.2992502901829355
Energy: 1.2404584995340224
Energy: 1.3664398436481044
Energy: 1.209785423608979
Energy: 1.3664398436481044
Energy: 1.1427806462548447
Energy: 1.2927681206665806
Energy: 1.1706199194434264
Energy: 1.2927681206657364
Energy: 1.1249435898313755
Energy: 1.2670139668996077
Energy: 1.1233660109658488
Energy: 1.2670139669004519
Energy: 1.1727601320229386
Energy: 1.2929929240512061
Energy: 1.137362130543723
Energy: 1.2929929240486733
Energy: 1.144197741362543
Energy: 1.3418822405173898
Energy: 1.2274247312908273
Energy: 1.3418822405173898
Energy: 1.2907290347948441
Energy: 1.2420233446913809
Energy: 1.1185416206470178
Energy: 1.2420233446905367
Energy: 1.1254531357503168
Energy: 1.2941462090812346
Energy: 1.1972849797085932
Energy: 1.294146209082923
Energy: 1.1405650419852051
Energy: 1.268448234709374
Energy: 1.141527468068874
Energy: 1.2684482347085295
Energy: 1.2528842670583575
Energy: 1.2987676009459714
Energy: 1.2987431980433934
Energy: 1.2987676009468156
Energy: 1.1182254609808882
Energy: 1.4561270317685902
Energy: 1.2082772627703902
Energy: 1.4561270317685902
Energy: 1.2201379856677992
Energy: 1.3491739672160614
Energy: 1.1440292646482837
Energy: 1.3491739672169056
Energy: 1.1906081779796145
Energy: 1.2933092703809226
Energy: 1.1720605255147039
Energy: 1.2933092703800786
Energy: 1.1229547332502399
Energy: 1.338295951101239
Energy: 1.326959127527873
Energy: 1.338295951101239
Energy: 1.196531898777356
Energy: 1.2839590135196304
Energy: 1.1425829187959124
Energy: 1.2839590135187862
Energy: 1.2495029562239308
Energy: 1.3508589731865965
Energy: 1.1831689112052683
Energy: 1.350858973187441
Energy: 1.2739235378518328
Energy: 1.293368131125422
Energy: 1.1221474046206694
Energy: 1.293368131125422
Energy: 1.146455505809965
Energy: 1.2840686921081133
Energy: 1.1921314486378
Energy: 1.284068692107269
Energy: 1.122568331982491
Energy: 1.2934513006554818
Energy: 1.2868366208390496
Energy: 1.2934513006504162
Energy: 1.2495228160482645
Energy: 1.2992493836343761
Energy: 1.1198819062068552
Energy: 1.2992493836352204
Energy: 1.2289253568832768
Energy: 1.3466535258173622
Energy: 1.1933339216774785
Energy: 1.3466535258190504
Energy: 1.2964358178807778
Energy: 1.2783576056964552
Energy: 1.2498434491169346
Energy: 1.2783576056972994
Energy: 1.2813517528388385
Energy: 1.299395778316665
Energy: 1.121207540084449
Energy: 1.299395778316665
Energy: 1.2119534460982309
Energy: 1.2929623639373833
Energy: 1.3325830552046654
Energy: 1.2929623639373833
Energy: 1.1709854529836965
Energy: 1.310347394160366
Energy: 1.1935519509289874
Energy: 1.31034739416121
Energy: 1.3257901327741612
Energy: 1.4422225888419298
Energy: 1.12414676812177
Energy: 1.4422225888419298
Energy: 1.1368245270968893
Energy: 1.3511408518478196
Energy: 1.1973223005290745
Energy: 1.3511408518495083

minimum gb energy = 1.1181096547286076 eV
minimum distance =  2.26010768684651 Angstroms
sigma value = 53


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

Energy: 1.1175660629894593
Energy: 1.1153482468772276
Energy: 1.2184415006759313
Energy: 1.115348246875284
Energy: 1.2635979766993906
Energy: 1.2289219596680936
Energy: 1.1599329451167875
Energy: 1.2289219596700374
Energy: 1.1184884224902907
Energy: 1.1155208494007494
Energy: 1.1366023632886213
Energy: 1.1155208494007494
Energy: 1.1184184733819817
Energy: 1.115618270410416
Energy: 1.106843616568246
Energy: 1.115618270410416
Energy: 1.2636802436635255
Energy: 1.2288671433367506
Energy: 1.2503076630533976
Energy: 1.2288671433367506
Energy: 1.1175660629894593
Energy: 1.1153482468772276
Energy: 1.2185411557202241
Energy: 1.1153482468772276
Energy: 1.2635979766993906
Energy: 1.2289219596680936
Energy: 1.1799121720315617
Energy: 1.2289219596680936
Energy: 1.1184884224883471
Energy: 1.1155208494007494
Energy: 1.1366023632886213
Energy: 1.1155208494007494
Energy: 1.1184184733819817
Energy: 1.1156182704084725
Energy: 1.1545671652076928
Energy: 1.1156182704084725
Energy: 1.263680243661582
Energy: 1.2288671433367506
Energy: 1.1937016762366581
Energy: 1.2288671433367506
Energy: 1.1175660629894593
Energy: 1.1153482468772276
Energy: 1.252673725260059
Energy: 1.1153482468772276
Energy: 1.2635979767013343
Energy: 1.2289219596680936
Energy: 1.2123778067967315
Energy: 1.2289219596700374
Energy: 1.1184884224883471
Energy: 1.1155208494007494
Energy: 1.2689963864254277
Energy: 1.115520849402693

minimum gb energy = 1.106843616568246 eV
minimum distance =  2.30931429926655 Angstroms
sigma value = 9


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

Energy: 1.2311185160674112
Energy: 1.2610038392804184
Energy: 1.3522254622663608
Energy: 1.261003839281857
Energy: 1.3432850303706865
Energy: 1.2448979716402822
Energy: 1.197277254363913
Energy: 1.2448979716388435
Energy: 1.146985767412499
Energy: 1.211733547809719
Energy: 1.1638299982998248
Energy: 1.2117335478089994
Energy: 1.205127828037691
Energy: 1.5307900892723136
Energy: 1.1579881352626282
Energy: 1.530790089273033
Energy: 1.249967043016154
Energy: 1.2745766468113595
Energy: 1.1640523560500062
Energy: 1.2745766468106403
Energy: 1.2139436609789884
Energy: 1.2114773900908955
Energy: 1.1892031476231435
Energy: 1.2114773900908955
Energy: 1.3772899550012583
Energy: 1.2668833951159224
Energy: 1.210028361180813
Energy: 1.2668833951152028
Energy: 1.1628593382433097
Energy: 1.5354320533841976
Energy: 1.2676472445687463
Energy: 1.5354320533841976
Energy: 1.150001165354887
Energy: 1.545492595597512
Energy: 1.218639219967848
Energy: 1.5454925955982317
Energy: 1.1481964059455976
Energy: 1.2402399194297755
Energy: 1.1983103099121124
Energy: 1.2402399194297755
Energy: 1.16512238526026
Energy: 1.2213136070986386
Energy: 1.3144579443353415
Energy: 1.2213136070972002
Energy: 1.3339824893275867
Energy: 1.3409950331363114
Energy: 1.152655358917352
Energy: 1.3409950362007643
Energy: 1.1495236047399655
Energy: 1.2403062623830177
Energy: 1.2960158624418892
Energy: 1.2403062623822987
Energy: 1.2108837774808883
Energy: 1.5382083679729242
Energy: 1.23672024961644
Energy: 1.5382083679729242
Energy: 1.2109585421098739
Energy: 1.377954223592505
Energy: 1.2294755387895824
Energy: 1.377954223592505
Energy: 1.1533857560269203
Energy: 1.5457176638021908
Energy: 1.1952254090098164
Energy: 1.5457176638021908
Energy: 1.2065781745042776
Energy: 1.377896993744646
Energy: 1.1644586732138154
Energy: 1.377896993743207
Energy: 1.168312144396659
Energy: 1.2676120142958553
Energy: 1.3135168992202269
Energy: 1.2676120142965746
Energy: 1.3176431913153914
Energy: 1.2405044707309856
Energy: 1.2160600312664485
Energy: 1.2405044707309856
Energy: 1.1920545118871484
Energy: 1.2586611621670856
Energy: 1.2287157052209337
Energy: 1.2586611621663661
Energy: 1.2118132586168728
Energy: 1.5290542123545245
Energy: 1.207457470848485
Energy: 1.5290542123545245
Energy: 1.2280100630890372
Energy: 1.2830734905218737
Energy: 1.1481099457825994
Energy: 1.2830734905211543
Energy: 1.218875228442362
Energy: 1.4035250178975553
Energy: 1.1504667940033342
Energy: 1.403525017898275
Energy: 1.3734948419690647
Energy: 1.204324855642658
Energy: 1.1624964359736405
Energy: 1.204324855510365
Energy: 1.197492651395564
Energy: 1.3420905244960388
Energy: 1.418228028307808
Energy: 1.3420905144800828
Energy: 1.1787885267764215
Energy: 1.2115966175518464
Energy: 1.147910841630822
Energy: 1.2115966175511268
Energy: 1.2322366590529956
Energy: 1.3801452308109718
Energy: 1.2046231319505063
Energy: 1.380145230811691
Energy: 1.2528168104817143
Energy: 1.530693277824282
Energy: 1.2054480270211907
Energy: 1.5306932778250015
Energy: 1.2027963089790803
Energy: 1.2115690126721987
Energy: 1.1464900119642811
Energy: 1.2115690126729184
Energy: 1.1969215163127502
Energy: 1.343534549710069
Energy: 1.4201361132189212
Energy: 1.3435345497093494
Energy: 1.3791919715507703
Energy: 1.2056887194510535
Energy: 1.1618474945415753
Energy: 1.2056887194503343
Energy: 1.1984959529049408
Energy: 1.2698709263696601
Energy: 1.147968048974791
Energy: 1.2698709263703791
Energy: 1.1975766836323418
Energy: 1.2833315973784272
Energy: 1.1472288800163226
Energy: 1.2833315973784272
Energy: 1.20288869173824
Energy: 1.530806390929963
Energy: 1.2046388326422923
Energy: 1.5308063909306826
Energy: 1.164189620421514
Energy: 1.4145797086357794
Energy: 1.3772911699536894
Energy: 1.4145797086350604

minimum gb energy = 1.1464900119642811 eV
minimum distance =  2.27428593641146 Angstroms
sigma value = 73


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

Energy: 1.2651268255361658
Energy: 1.265435992209324
Energy: 1.206008867169696
Energy: 1.2654359922081826
Energy: 1.3038283475921573
Energy: 1.3375604143481359
Energy: 1.2110444960045175
Energy: 1.3375604143492772
Energy: 1.1658664146644082
Energy: 1.2086759825588131
Energy: 1.1853938907915724
Energy: 1.2086759825588131
Energy: 1.1265059020776476
Energy: 1.4302912417887592
Energy: 1.190051330736702
Energy: 1.430291241787618
Energy: 1.1732266712355683
Energy: 1.3103180721633703
Energy: 1.1865955984855796
Energy: 1.3103180721633703
Energy: 1.1975063663171208
Energy: 1.2553195593822613
Energy: 1.2188416247679459
Energy: 1.2553195593822613
Energy: 1.4029581106585711
Energy: 1.3528470421131453
Energy: 1.158988192738523
Energy: 1.3528470421131453
Energy: 1.155017756482655
Energy: 1.2310929921381353
Energy: 1.3698736386459172
Energy: 1.2310929921381353
Energy: 1.2899731532859537
Energy: 1.2322942721120975
Energy: 1.2296887617646564
Energy: 1.2322942721120975
Energy: 1.1621800181869006
Energy: 1.253539432236844
Energy: 1.161585920539544
Energy: 1.2535394322357027
Energy: 1.1520577739089433
Energy: 1.2321234682460245
Energy: 1.258077944728949
Energy: 1.2321234682448832
Energy: 1.2699890566132765
Energy: 1.438237370350368
Energy: 1.1259043655247025
Energy: 1.438237370350368
Energy: 1.1904373118971083
Energy: 1.3008883423182216
Energy: 1.367409194596179
Energy: 1.3008883423182216
Energy: 1.2816475658754443
Energy: 1.4080240681927747
Energy: 1.196070809473423
Energy: 1.4080240681927747
Energy: 1.1786118997904043
Energy: 1.4109770635098793
Energy: 1.3738905058252118
Energy: 1.4109770635098793
Energy: 1.2575853323094366
Energy: 1.2315507394706682
Energy: 1.1555408973650558
Energy: 1.2315507394718093
Energy: 1.270563534712147
Energy: 1.2670316272773958
Energy: 1.1657477549887425
Energy: 1.2670316272773958
Energy: 1.217612875643495
Energy: 1.4210300759235395
Energy: 1.162352542779308
Energy: 1.4210300759223982
Energy: 1.1884260016019776
Energy: 1.2313317086973097
Energy: 1.1545258169229826
Energy: 1.2313317086973097
Energy: 1.211019723780872
Energy: 1.2879686008362117
Energy: 1.4440275592425649
Energy: 1.2879686008350704
Energy: 1.3058271009821598
Energy: 1.2427171140794062
Energy: 1.1960821996346906
Energy: 1.2427171140794062
Energy: 1.206888868365619
Energy: 1.3093091488139659
Energy: 1.2850845917429978
Energy: 1.3093091488151072

minimum gb energy = 1.1259043655247025 eV
minimum distance =  2.28749755368365 Angstroms
sigma value = 7


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

Energy: 1.2663492915355152
Energy: 1.2623712110232823
Energy: 1.4433174066170638
Energy: 1.2623712110248964
Energy: 1.3525318088998701
Energy: 1.20468323328939
Energy: 1.2043451659693873
Energy: 1.204683233290197
Energy: 1.1778776390866603
Energy: 1.4679504610706684
Energy: 1.1673341456458854
Energy: 1.4679504610730896
Energy: 1.1427062046320313
Energy: 1.3370164322875078
Energy: 1.2055100212128185
Energy: 1.3370164322867009
Energy: 1.1831997682127746
Energy: 1.2889886471230343
Energy: 1.1747357210580298
Energy: 1.2889886471246483
Energy: 1.181137894655566
Energy: 1.2635911976283396
Energy: 1.2738398539217766
Energy: 1.2635911976275325
Energy: 1.3861315105976868
Energy: 1.4381031222447853
Energy: 1.175202859956172
Energy: 1.4381031222447853
Energy: 1.1807410462202674
Energy: 1.2628965181374452
Energy: 1.4097525513531455
Energy: 1.262896518138252
Energy: 1.2894456173545874
Energy: 1.316481268769196
Energy: 1.2033490839923981
Energy: 1.3164812687732312
Energy: 1.1796762770707585
Energy: 1.296509181483269
Energy: 1.2703640401308443
Energy: 1.296509181481655
Energy: 1.1481074814610894
Energy: 1.466994831242835
Energy: 1.1619013840906032
Energy: 1.466994831244449
Energy: 1.2328232382323778
Energy: 1.2895996795576283
Energy: 1.1583091700677906
Energy: 1.2895996795576283
Energy: 1.2311178909483957
Energy: 1.2641395915582307
Energy: 1.1620469291610906
Energy: 1.2641395915582307
Energy: 1.168130497145631
Energy: 1.2473223316454685
Energy: 1.1576635047912083
Energy: 1.2473223316422404
Energy: 1.1809594569528654
Energy: 1.3748325247686262
Energy: 1.3874507550298285
Energy: 1.3748325247702402
Energy: 1.3368831022240317
Energy: 1.2471472701019501
Energy: 1.1994067667012547
Energy: 1.2471472701027573
Energy: 1.1820976641566794
Energy: 1.2896346658410291
Energy: 1.3237738714753173
Energy: 1.2896346658410291
Energy: 1.1816812618723587
Energy: 1.2491278713309917
Energy: 1.158122978638348
Energy: 1.2491278713293776
Energy: 1.1805062329270433
Energy: 1.2628892716613596
Energy: 1.161896712367689
Energy: 1.2628892716629738
Energy: 1.1793555162135176
Energy: 1.2889573096930782
Energy: 1.1587371985551815
Energy: 1.288957309690657
Energy: 1.1474345777359802
Energy: 1.4209512921348344
Energy: 1.203629609115111
Energy: 1.4209512921356413
Energy: 1.179971842603317
Energy: 1.4728821929057396
Energy: 1.3495299074697449
Energy: 1.472882193113069
Energy: 1.3365218809241275
Energy: 1.431704880859804
Energy: 1.161385085104868
Energy: 1.431704880863032
Energy: 1.2694502174124815
Energy: 1.2631445098950145
Energy: 1.2656321695484085
Energy: 1.2631445098958212
Energy: 1.2135175954350006
Energy: 1.2888896940878691
Energy: 1.1615775707225509
Energy: 1.2888896940878691
Energy: 1.141952077006466
Energy: 1.4659027212712668
Energy: 1.166160639259078
Energy: 1.4659027212728808
Energy: 1.1802644101864541
Energy: 1.296677821267445
Energy: 1.2452758382739326
Energy: 1.2966778212666379
Energy: 1.1427751591740931
Energy: 1.2892124288053322
Energy: 1.205800719872088
Energy: 1.2892124288069462
Energy: 1.177031708295264
Energy: 1.2627981631316103
Energy: 1.2377010183105517
Energy: 1.2627981631308036
Energy: 1.4033159731657623
Energy: 1.2268910080888282
Energy: 1.2057782902813632
Energy: 1.2268910080904423
Energy: 1.1770357452956823
Energy: 1.262996735384038
Energy: 1.3580164525851415
Energy: 1.2629967353848448

minimum gb energy = 1.141952077006466 eV
minimum distance =  2.27260907523566 Angstroms
sigma value = 29


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

Energy: 1.1920696333225747
Energy: 1.1973407021599245
Energy: 1.140669284973549
Energy: 1.197340702160487
Energy: 1.126313617692766
Energy: 1.2123615918282582
Energy: 1.2145109169514052
Energy: 1.212361591827696
Energy: 1.1466620944211041
Energy: 1.2806897661781425
Energy: 1.1255084798581938
Energy: 1.2806897661786734
Energy: 1.2152211486367224
Energy: 1.2368380039541973
Energy: 1.2143164601719638
Energy: 1.2368380039550093
Energy: 1.1901895212745777
Energy: 1.269308415840634
Energy: 1.2778121652878467
Energy: 1.269308415840634
Energy: 1.0804983305831346
Energy: 1.3070295783192387
Energy: 1.0802473429544692
Energy: 1.3070295783189574
Energy: 1.0799605961875698
Energy: 1.2691122580139163
Energy: 1.1902158367758884
Energy: 1.2691122580136351
Energy: 1.213981175316021
Energy: 1.2378659400472605
Energy: 1.2153397484491462
Energy: 1.2378659400466983
Energy: 1.125422311840727
Energy: 1.2809469903334856
Energy: 1.1247737459517801
Energy: 1.2809469903334856

minimum gb energy = 1.0799605961875698 eV
minimum distance =  2.30329165430725 Angstroms
sigma value = 5


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

Energy: 1.1497184502628768
Energy: 1.1712737331005199
Energy: 1.2771287558376638
Energy: 1.1712737331005199
Energy: 1.3964980773748634
Energy: 1.1255016226575345
Energy: 1.0958900571813692
Energy: 1.125501622656772
Energy: 1.0842275584155199
Energy: 1.1532204730715088
Energy: 1.278528537578742
Energy: 1.1532204730715088
Energy: 1.0790673830950481
Energy: 1.2063685521664496
Energy: 1.1249271475210179
Energy: 1.206368552167212
Energy: 1.1100740914732035
Energy: 1.2142967986867041
Energy: 1.2748495791286698
Energy: 1.2142967986859416
Energy: 1.1160784622658944
Energy: 1.1735627844011483
Energy: 1.1017973323939882
Energy: 1.1735627844019105
Energy: 1.084870490099533
Energy: 1.213892128935301
Energy: 1.086902906879714
Energy: 1.213892128935301
Energy: 1.0856772269416453
Energy: 1.1736069365408837
Energy: 1.0907754963739251
Energy: 1.1736069365416462
Energy: 1.112198920357674
Energy: 1.2133484155827856
Energy: 1.0766040009280793
Energy: 1.2133484155835481
Energy: 1.112682377602262
Energy: 1.2158359469633877
Energy: 1.071527838310555
Energy: 1.2158359469626254
Energy: 1.107181989020676
Energy: 1.2034433439718693
Energy: 1.088103503225636
Energy: 1.2034433439718693
Energy: 1.0868446332984674
Energy: 1.1433695462441378
Energy: 1.1746204666632243
Energy: 1.143369546242613
Energy: 1.1219926294289713
Energy: 1.1718671615871403
Energy: 1.17063225983071
Energy: 1.1718671615871403
Energy: 1.112329415577423
Energy: 1.1716346131216873
Energy: 1.3805538152429382
Energy: 1.1716346131171134
Energy: 1.3067436508134702
Energy: 1.1153770029512091
Energy: 1.0880953012354333
Energy: 1.115377002953496
Energy: 1.1227843796794492
Energy: 1.1531436859170896
Energy: 1.1008766615053327
Energy: 1.1531436859178519
Energy: 1.2753636086830065
Energy: 1.1398070850489583
Energy: 1.1014721653821449
Energy: 1.1398070850512452
Energy: 1.1120780896111255
Energy: 1.17158529910831
Energy: 1.1723849592937623
Energy: 1.171585299107548
Energy: 1.1101907860507376
Energy: 1.2179260995682177
Energy: 1.0968727725716882
Energy: 1.217926099567455
Energy: 1.084822765740509
Energy: 1.2324456161399324
Energy: 1.1284496275247835
Energy: 1.2324456161406947
Energy: 1.0721291273971238
Energy: 1.199479455701646
Energy: 1.1213196521375737
Energy: 1.1994794557008837
Energy: 1.1110741627716632
Energy: 1.2137393698519374
Energy: 1.1111935412929592
Energy: 1.2137393698519374
Energy: 1.0988057825001996
Energy: 1.1729264212372437
Energy: 1.0721985713518214
Energy: 1.1729264212372437
Energy: 1.1737395699751498
Energy: 1.2038032418868199
Energy: 1.084982847418013
Energy: 1.2038032418868199
Energy: 1.1808246976118084
Energy: 1.1569807924340803
Energy: 1.094264948155534
Energy: 1.156980792433318
Energy: 1.1490368188970614
Energy: 1.171724449365844
Energy: 1.1123049845096857
Energy: 1.1717244493673689
Energy: 1.097765188292077
Energy: 1.100307645637063
Energy: 1.1320123676397484
Energy: 1.100307645637063
Energy: 1.1070490713290493
Energy: 1.2080684460915982
Energy: 1.122807041784084
Energy: 1.2080684460931228
Energy: 1.0954845614718893
Energy: 1.1257086806883962
Energy: 1.4348314857817424
Energy: 1.1257086806891587
Energy: 1.239144971195856
Energy: 1.1718434866522607
Energy: 1.1120601500093799
Energy: 1.1718434866514982
Energy: 1.1010386454083914
Energy: 1.135671300266665
Energy: 1.2659544482977914
Energy: 1.135671300266665
Energy: 1.274112964771401
Energy: 1.1570114365510873
Energy: 1.0874396675676932
Energy: 1.1570114365510873
Energy: 1.1239145999780193
Energy: 1.2030972934720625
Energy: 1.0762367542919737
Energy: 1.2030972934713002

minimum gb energy = 1.071527838310555 eV
minimum distance =  2.29565040600358 Angstroms
sigma value = 1


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

Energy: 1.1139137742481013
Energy: 1.11021945365596
Energy: 1.0490333575175064
Energy: 1.110219453653852
Energy: 1.3344377986390925
Energy: 1.0559521871359618
Energy: 1.062428184136495
Energy: 1.0559521871370157
Energy: 1.0189866492459236
Energy: 1.1110019420688568
Energy: 1.4784590180309163
Energy: 1.1110019420688568
Energy: 1.0701000915929855
Energy: 1.1633708229389255
Energy: 1.0607819965056495
Energy: 1.1633708229410333
Energy: 1.0198901436635361
Energy: 1.2058056291562564
Energy: 1.2837493461180705
Energy: 1.2058056291573107
Energy: 1.0223235084854159
Energy: 1.1577689139866087
Energy: 1.060980933373401
Energy: 1.1577689139845007
Energy: 1.0207511442432724
Energy: 1.21009127851905
Energy: 1.0777659442288494
Energy: 1.210091278520104
Energy: 1.0204907218490724
Energy: 1.1140181059123186
Energy: 1.071094603692012
Energy: 1.114018105913373
Energy: 1.1167337521042882
Energy: 1.1083991047095647
Energy: 1.0712951960524315
Energy: 1.1083991047095647
Energy: 1.115399977080273
Energy: 1.108398117939596
Energy: 1.0776011914172647
Energy: 1.1083981179385418
Energy: 1.0205501414595983
Energy: 1.1139154122915629
Energy: 1.0708641498866105
Energy: 1.1139154122915629
Energy: 1.0200782189853985
Energy: 1.210102273297188
Energy: 1.0803787017791333
Energy: 1.2101022732982423
Energy: 1.0226232007579426
Energy: 1.1581723232825478
Energy: 1.061017769858156
Energy: 1.158172323283602
Energy: 1.0197636510061525
Energy: 1.2061509443310736
Energy: 1.2128828856773979
Energy: 1.2061509443321279
Energy: 1.0698366492304079
Energy: 1.1633592674194806
Energy: 1.0608032700793497
Energy: 1.1633592674194806
Energy: 1.0187797003121166
Energy: 1.1110450096795352
Energy: 1.0762907461932503
Energy: 1.1110450096795352
Energy: 1.3344650691239315
Energy: 1.055901814157746
Energy: 1.0628262919287255
Energy: 1.0559018141588001
Energy: 1.1139137742491554
Energy: 1.1102194536549064
Energy: 1.0669897597575095
Energy: 1.110219453653852
Energy: 1.3344377986390925
Energy: 1.0559521871359618
Energy: 1.0624281841354408
Energy: 1.0559521871370157
Energy: 1.0189866492459236
Energy: 1.1110019420678028
Energy: 1.4784590180319703
Energy: 1.1110019420699104
Energy: 1.0701000915929855
Energy: 1.1633708229389255
Energy: 1.0607819965045953
Energy: 1.1633708229410333
Energy: 1.0198901436645902
Energy: 1.2058056291562564
Energy: 1.2837493461191245
Energy: 1.2058056291573107
Energy: 1.0223235084854159
Energy: 1.1577689139866087
Energy: 1.060980933373401
Energy: 1.1577689139866087
Energy: 1.0207511442422186
Energy: 1.21009127851905
Energy: 1.0728358536491103
Energy: 1.210091278520104

minimum gb energy = 1.0187797003121166 eV
minimum distance =  2.30600555246112 Angstroms
sigma value = 17


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

Energy: 1.0885954049184343
Energy: 1.0854834275029537
Energy: 1.2545806467015739
Energy: 1.0854834275029537
Energy: 1.3149778951678985
Energy: 1.0689877527499556
Energy: 1.0360207222969728
Energy: 1.0689877527512583
Energy: 1.0362774079998807
Energy: 1.0679238992315567
Energy: 1.3153157738316252
Energy: 1.0679238992315567
Energy: 1.0585896964998687
Energy: 1.2505191608230455
Energy: 1.0325672661889311
Energy: 1.2505191608230455
Energy: 1.0177530259785232
Energy: 1.1485619633053183
Energy: 1.322529413508417
Energy: 1.1485619633059698
Energy: 1.0066871299478148
Energy: 1.2699849081817731
Energy: 1.0539226354280369
Energy: 1.2699849081824246
Energy: 1.0359302934882415
Energy: 1.127103430286971
Energy: 1.092273823486311
Energy: 1.127103430286971
Energy: 1.0179692714524526
Energy: 1.2787217759296663
Energy: 1.0166432587796725
Energy: 1.2787217759309693
Energy: 1.0805005349917625
Energy: 1.2792921950528793
Energy: 1.0642151824995885
Energy: 1.2792921950528793
Energy: 1.0843129948576575
Energy: 1.1107295151702978
Energy: 1.0362631614828244
Energy: 1.1107295151663892
Energy: 1.0367908094411342
Energy: 1.249113367996753
Energy: 1.0173642849308735
Energy: 1.2491133679954503
Energy: 1.0390816983416808
Energy: 1.11831595796433
Energy: 1.0195201176474022
Energy: 1.1183159579649813
Energy: 1.005458609083734
Energy: 1.2663182886990147
Energy: 1.0345482033297901
Energy: 1.2663182886990147
Energy: 1.0179032573570246
Energy: 1.1476520429173287
Energy: 1.113446407366527
Energy: 1.1476520429179802
Energy: 1.0209907764725252
Energy: 1.2591467208386367
Energy: 1.094030594104354
Energy: 1.2591467208386367
Energy: 1.0362996538563187
Energy: 1.0680510742110907
Energy: 1.3129298818455366
Energy: 1.0680510742117422
Energy: 1.0470461986894695
Energy: 1.2610200198440515
Energy: 1.0338968205765917
Energy: 1.2610200198440515
Energy: 1.031640346659393
Energy: 1.0860078756210014
Energy: 1.032884743115802
Energy: 1.0860078756210014
Energy: 1.2045352721411773
Energy: 1.120345263098679
Energy: 1.036859782582387
Energy: 1.1203452630960733
Energy: 1.0540594936438954
Energy: 1.0672965750031587
Energy: 1.1967415001182713
Energy: 1.0672965750031587
Energy: 1.4552721900127328
Energy: 1.0584620181113529
Energy: 1.0344375329514672
Energy: 1.0584620181113529
Energy: 1.0349066880059108
Energy: 1.0868176100233073
Energy: 1.3232385640023694
Energy: 1.0868176100226559
Energy: 1.1887905602511957
Energy: 1.0502353763821843
Energy: 1.0536563025562866
Energy: 1.0502353763828358
Energy: 1.0374302282716745
Energy: 1.128072166020712
Energy: 1.2199642476187333
Energy: 1.1280721660174546
Energy: 1.0464493748974626
Energy: 1.0866362690855766
Energy: 1.0318612499590116
Energy: 1.086636269086228
Energy: 1.0355105133895834
Energy: 1.1493885764871639
Energy: 1.0513060052532768
Energy: 1.1493885764865124
Energy: 1.1793930654488347
Energy: 1.1026613546322372
Energy: 1.037274302233864
Energy: 1.1026613546322372
Energy: 1.0971637959394143
Energy: 1.258926705187653
Energy: 1.0190386749755616
Energy: 1.2589267051883046
Energy: 1.110456715086529
Energy: 1.1472273481012063
Energy: 1.0188535788713289
Energy: 1.1472273481018578
Energy: 1.035755944084346
Energy: 1.2669947267813886
Energy: 1.0610396055277929
Energy: 1.2669947267813886
Energy: 1.0188050291248807
Energy: 1.1473037700379316
Energy: 1.0385397043345805
Energy: 1.1473037700372801
Energy: 1.019025135147388
Energy: 1.2501573584081338
Energy: 1.0347368514116537
Energy: 1.2501573584081338
Energy: 1.037296391518196
Energy: 1.1108160298714653
Energy: 1.2141366477628435
Energy: 1.1108160298708138
Energy: 1.063098806357188
Energy: 1.2818589261201918
Energy: 1.0568373246475584
Energy: 1.2818589261195403
Energy: 1.0171946076019962
Energy: 1.0870549953376525
Energy: 1.0508022611303176
Energy: 1.087054995337001
Energy: 1.0882638961687956
Energy: 1.1280687988950662
Energy: 1.0347381666602002
Energy: 1.1280687988957179
Energy: 1.053483112138225
Energy: 1.2699005866249082
Energy: 1.0059081728344619
Energy: 1.2699005866249082
Energy: 1.3156480427183805
Energy: 1.1490720281858386
Energy: 1.0346786537630943
Energy: 1.1490720281858386

minimum gb energy = 1.005458609083734 eV
minimum distance =  2.29579539025963 Angstroms
sigma value = 89


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

Energy: 0.9478110884162735
Energy: 0.9455887069071289
Energy: 0.9084178299206814
Energy: 0.9455887069071289
Energy: 0.9501552481922584
Energy: 0.9869371023441602
Energy: 0.9537003153779468
Energy: 0.9869371023424556
Energy: 0.9535559615145127
Energy: 1.1172072543198195
Energy: 1.3763818519878506
Energy: 1.1172072543215246
Energy: 0.9230438786592633
Energy: 0.9869152244139021
Energy: 0.9536557419308764
Energy: 0.9869152244139021
Energy: 0.9526482085643259
Energy: 1.0307066909700175
Energy: 1.579057155276837
Energy: 1.0307066909700175
Energy: 0.9495257766773971
Energy: 0.9470251561843773
Energy: 0.9507550746576832
Energy: 0.9470251561843773
Energy: 0.9530400581603138
Energy: 1.1175044289347935
Energy: 0.9541037136893378
Energy: 1.1175044289347935
Energy: 0.9083797698073227
Energy: 1.1157771201183349
Energy: 0.9532013313205773
Energy: 1.1157771201200393
Energy: 0.966251736149618
Energy: 1.0313156151699778
Energy: 0.9156994159289136
Energy: 1.0313156151699778
Energy: 0.9867085370016249
Energy: 1.0248818964547866
Energy: 0.9481468762801358
Energy: 1.0248818964530817
Energy: 0.942930679948768
Energy: 0.9877252360317333
Energy: 0.9535739380083667
Energy: 0.9877252360317333
Energy: 0.9429583845602442
Energy: 1.1205148811401877
Energy: 0.9530271785927686
Energy: 1.1205148811401877
Energy: 0.9486787311128301
Energy: 0.9483927951844614
Energy: 0.923127241546862
Energy: 0.9483927951844614
Energy: 0.9498578738845623
Energy: 1.0292811736116803
Energy: 0.9499507817532722
Energy: 1.0292811736116803
Energy: 0.9072406788216094
Energy: 0.9484013990227218
Energy: 0.9490758598651368
Energy: 0.9484013990227218

minimum gb energy = 0.9072406788216094 eV
minimum distance =  2.31561808985551 Angstroms
sigma value = 13


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

Energy: 0.9219602444861134
Energy: 0.8795428874797167
Energy: 1.118146619073985
Energy: 0.8795428874797167
Energy: 1.3736853800085596
Energy: 0.9073728403485871
Energy: 0.8633023635658768
Energy: 0.9073728403471584
Energy: 0.8820367076665098
Energy: 0.8801926777041787
Energy: 1.3116299822026762
Energy: 0.8801926777070366
Energy: 0.8877910237261163
Energy: 0.9070203275526157
Energy: 0.8598680011938161
Energy: 0.9070203275533303
Energy: 0.8897780215739772
Energy: 0.9430447253519963
Energy: 0.89008028429751
Energy: 0.943044725348424
Energy: 0.8645375650497086
Energy: 0.9077880441729756
Energy: 0.8945667103777509
Energy: 0.9077880441729756
Energy: 0.8898873272238235
Energy: 0.9496195445360881
Energy: 1.2801712561466465
Energy: 0.9496195445339447
Energy: 0.8518866196593983
Energy: 0.9077618345266226
Energy: 0.8945302990176555
Energy: 0.907761834527337
Energy: 0.8899611887616602
Energy: 0.9486062012085111
Energy: 1.0508688636117371
Energy: 0.9486062012099402
Energy: 1.0637879531007217
Energy: 0.9694411096804313
Energy: 0.8600400377849604
Energy: 0.9694411096754301
Energy: 0.8899276056489023
Energy: 0.9704776763137428
Energy: 0.8672035437502076
Energy: 0.9704776763115994
Energy: 1.2065533888304234
Energy: 0.9691395756376634
Energy: 0.8592129186332632
Energy: 0.9691395756369489
Energy: 0.9301274248291468
Energy: 0.899615525225044
Energy: 0.8661748440443278
Energy: 0.8996155252271872
Energy: 1.2313646617299985
Energy: 0.9695858860984402
Energy: 0.8592985281407461
Energy: 0.9695858860970115
Energy: 0.8900445016889922
Energy: 0.880614857100882
Energy: 0.8591349504809953
Energy: 0.8806148571015966
Energy: 0.8873834005825516
Energy: 0.9698118878890176
Energy: 0.8614427152324395
Energy: 0.9698118878890176
Energy: 0.8811226235847056
Energy: 0.8790577696302743
Energy: 0.8635150800040772
Energy: 0.8790577696337816
Energy: 0.8780507537087515
Energy: 0.9462082878100107
Energy: 0.9019707466549045
Energy: 0.9462082878085817
Energy: 0.8812071875287797
Energy: 0.9464889440190554
Energy: 0.9024267625147022
Energy: 0.9464889440204843
Energy: 0.8812332425290049
Energy: 0.946531142726718
Energy: 0.9021036877374539
Energy: 0.9465311427288614
Energy: 0.8783661870320589
Energy: 0.946052331538707
Energy: 0.9022230210716029
Energy: 0.9460523315379926
Energy: 0.8811382950825528
Energy: 0.8784198184668708
Energy: 0.8639551996692879
Energy: 0.878419818467585
Energy: 0.8871804900936222
Energy: 0.9698954436686938
Energy: 0.8620632806655815
Energy: 0.9698954436686938
Energy: 0.890044256941308
Energy: 0.8802315454467015
Energy: 0.857848176091998
Energy: 0.8802315454445581
Energy: 1.2312391092522816
Energy: 0.9693690557766039
Energy: 0.8592008247163654
Energy: 0.9693690557758896
Energy: 0.9300901227309706
Energy: 0.8996913316127884
Energy: 0.8673062525134307
Energy: 0.8996913316127884
Energy: 1.2067912581565203
Energy: 0.969375290767022
Energy: 0.8593366077464666
Energy: 0.9693752907705943
Energy: 0.8902033988462049
Energy: 0.9706263211064754
Energy: 0.86729016911419
Energy: 0.9706263211050465
Energy: 1.0636455436241374
Energy: 0.9694834635533764
Energy: 0.8600166550647731
Energy: 0.9694834635562343
Energy: 0.8898918169073705
Energy: 0.9486742470507796
Energy: 1.187054105431806
Energy: 0.9486742470507796
Energy: 0.8523422084415082
Energy: 0.9081785879648903
Energy: 0.8946130301448539
Energy: 0.908178587961318
Energy: 0.8901237606515681
Energy: 0.9495731424687133
Energy: 1.3452722432976758
Energy: 0.9495731424687133
Energy: 0.864864685798238
Energy: 0.907632629489045
Energy: 0.8944324119614548
Energy: 0.9076326294904739
Energy: 0.8897637400419919
Energy: 0.9430574062429726
Energy: 0.8781211184903502
Energy: 0.9430574062451159
Energy: 0.8879934482004099
Energy: 0.9071765867766816
Energy: 0.8598484880731365
Energy: 0.9071765867781105

minimum gb energy = 0.8518866196593983 eV
minimum distance =  2.33043959848273 Angstroms
sigma value = 37


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

Energy: 0.8393848605227278
Energy: 0.8372535449434984
Energy: 0.9470983262076952
Energy: 0.8372535449422691
Energy: 1.3626661078737035
Energy: 0.836425245595648
Energy: 0.7737695778025289
Energy: 0.836425245595648
Energy: 0.8028076477063103
Energy: 0.9372269453487554
Energy: 1.0840866054213665
Energy: 0.9372269453487554
Energy: 0.7735858361465229
Energy: 0.8363457581789636
Energy: 0.7735677748925481
Energy: 0.8363457581789636
Energy: 0.7734412021276643
Energy: 0.8363182441749569
Energy: 0.7692200257585233
Energy: 0.8363182441749569
Energy: 0.747032899777883
Energy: 0.8363584743894817
Energy: 0.7711238072623475
Energy: 0.8363584743894817
Energy: 0.8073887454852358
Energy: 0.8805356007823566
Energy: 1.0801512856995432
Energy: 0.8805356007823566
Energy: 0.7707634465073882
Energy: 0.8378591914822846
Energy: 0.8417297407469994
Energy: 0.8378591914822846
Energy: 0.7729017730638491
Energy: 0.8360577087312199
Energy: 1.081435189756381
Energy: 0.8360577087312199
Energy: 1.1218160326821291
Energy: 0.9263133869646564
Energy: 0.7713220422012937
Energy: 0.9263133869658577
Energy: 0.8072985066627207
Energy: 0.8802535869184184
Energy: 0.7720621760222489
Energy: 0.8802535869171891
Energy: 1.1423603917933158
Energy: 0.8370808415270734
Energy: 0.7738747542771568
Energy: 0.8370808415258442
Energy: 0.7735731997560719
Energy: 0.8361095474689841
Energy: 0.7478400110606852
Energy: 0.8361095474702134
Energy: 1.0820557673751783
Energy: 0.8803391115726683
Energy: 0.7721972194327362
Energy: 0.8803391115714392
Energy: 0.8422274997155454
Energy: 0.8813408076393237
Energy: 0.7721965188566836
Energy: 0.8813408076393237
Energy: 0.8348966387836603
Energy: 0.8365904866758312
Energy: 0.7741788118026303
Energy: 0.8365904866758312
Energy: 0.7737116607456042
Energy: 0.9288169755733178
Energy: 0.7363724386716216
Energy: 0.9288169755733178
Energy: 0.7680217668115907
Energy: 0.8813432876308649
Energy: 0.7723373346480856
Energy: 0.8813432876418997
Energy: 0.7735851768548005
Energy: 0.8385279323586535
Energy: 0.7758546915832488
Energy: 0.8385279323586535
Energy: 0.7692587694510281
Energy: 0.8364392554723847
Energy: 0.7675389936071256
Energy: 0.8364392554723847

minimum gb energy = 0.7363724386716216 eV
minimum distance =  2.33769532031627 Angstroms
sigma value = 25


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

Energy: 0.8952196423955454
Energy: 0.7174398342867079
Energy: 0.6396902411158877
Energy: 0.7174398342828684
Energy: 1.3774795182098085
Energy: 0.726167429060885
Energy: 0.7057565737927056
Energy: 0.7261674290618447
Energy: 0.8530229296897514
Energy: 0.7157143653281165
Energy: 0.9222950269519214
Energy: 0.7157143653290765
Energy: 1.0434750185096424
Energy: 0.7430702187705263
Energy: 0.7065885412835962
Energy: 0.7430702187714863
Energy: 0.719151603927157
Energy: 0.7264600171118426
Energy: 0.6885082029098251
Energy: 0.7264600171118426
Energy: 0.7877223858732602
Energy: 0.7156252343280288
Energy: 0.7209606000737392
Energy: 0.7156252343270689
Energy: 0.7059215716378568
Energy: 0.7003642324552424
Energy: 1.0442140674495475
Energy: 0.7003642324552424
Energy: 0.6588737036957004
Energy: 0.7541785851840933
Energy: 0.8413038294418175
Energy: 0.7541785851840933
Energy: 0.7050989089824105
Energy: 0.7301250366371369
Energy: 1.264127486254357
Energy: 0.730125036636177
Energy: 0.6679701331732202
Energy: 0.7003629182396703
Energy: 0.7567567447108823
Energy: 0.7003629182387103
Energy: 0.705843366643153
Energy: 0.7001902593637278
Energy: 1.167015593922242
Energy: 0.700190259362768
Energy: 0.9744656541255994
Energy: 0.8244960627360955
Energy: 0.8412735833800178
Energy: 0.8244960627322561
Energy: 0.7073877655691876
Energy: 0.742825290004094
Energy: 1.1552127655061568
Energy: 0.742825290004094
Energy: 1.0000318853859669
Energy: 0.9974243686963274
Energy: 0.7208845756969309
Energy: 0.9974243686972871
Energy: 0.7209194933270394
Energy: 0.7005325526303258
Energy: 0.80287963816413
Energy: 0.7005325526303258
Energy: 1.10362535616594
Energy: 0.8251492141545407
Energy: 0.7071107837276533
Energy: 0.8251492142120881
Energy: 0.8370532005865485
Energy: 0.7538810128356934
Energy: 0.659118362905196
Energy: 0.7538810128356934
Energy: 1.0960545707575928
Energy: 0.7264522663701137
Energy: 0.7058081711244312
Energy: 0.7264522663691539
Energy: 0.8958816273351206
Energy: 0.7151904256778219
Energy: 0.6643671778630907
Energy: 0.7151904257018181
Energy: 1.2722716395973896
Energy: 0.8285346562405859
Energy: 0.7082516691899694
Energy: 0.8285346562405859
Energy: 0.8374729161916924
Energy: 1.0437931022210072
Energy: 0.6579640778047045
Energy: 1.0437931022210072
Energy: 0.8353506900755159
Energy: 0.7430015440068805
Energy: 0.7102770354545475
Energy: 0.7430015440068805
Energy: 0.7241116585129789
Energy: 0.7010391335109084
Energy: 0.9981650377785654
Energy: 0.7010391335089886
Energy: 0.8014729065113535
Energy: 0.8280267674535717
Energy: 0.7240897697505851
Energy: 0.8280267674535717
Energy: 0.7084575194940972
Energy: 0.8241410081018469
Energy: 1.1018547851272187
Energy: 0.8241410081401973
Energy: 0.6713570802965952
Energy: 0.753918648904347
Energy: 0.8391630653822822
Energy: 0.7539186489033871

minimum gb energy = 0.6396902411158877 eV
minimum distance =  2.3406695559761 Angstroms
sigma value = 41


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

Energy: 1.039166012664268
Energy: 0.6457788715195879
Energy: 0.9013694697763573
Energy: 0.6457788715195879
Energy: 1.3484337357570164
Energy: 0.6281135932373298
Energy: 0.6143814698534324
Energy: 0.6281135932373298
Energy: 0.6460216922511884
Energy: 0.6122101756988271
Energy: 0.581757551102408
Energy: 0.6122101756988271
Energy: 1.0167126920797247
Energy: 0.6284349150460455
Energy: 0.6145854941093082
Energy: 0.6284349150476194
Energy: 0.6119027199526823
Energy: 0.6658343224568315
Energy: 0.5957564774454083
Energy: 0.6658343224576184
Energy: 0.8125028684957161
Energy: 0.6280903260269368
Energy: 0.6142207746385403
Energy: 0.6280903260269368
Energy: 0.6137672079528652
Energy: 0.6284281287011535
Energy: 0.8844868608958774
Energy: 0.6284281286995795
Energy: 0.6027640733023916
Energy: 0.6461280903051355
Energy: 0.6124155689895301
Energy: 0.6461280903059224
Energy: 0.6159867771768218
Energy: 0.6463640253590052
Energy: 1.081653313683441
Energy: 0.646364025358218
Energy: 0.5990255456534299
Energy: 0.6119182000699244
Energy: 0.6465489872285153
Energy: 0.6119182000707114
Energy: 0.6138054374000482
Energy: 0.6286001486255822
Energy: 1.1854204377252309
Energy: 0.6286001486255822
Energy: 0.6023942877591122
Energy: 0.6456183010814839
Energy: 1.0370653300490555
Energy: 0.6456183010822708
Energy: 0.6159533745288969
Energy: 0.6477882415386188
Energy: 1.2635239527895796
Energy: 0.6477882415401927
Energy: 0.8586669480028934
Energy: 0.709477084958344
Energy: 0.6467520830502522
Energy: 0.7094770849481141
Energy: 0.6140179880365492
Energy: 0.6288482440202935
Energy: 1.0125428035971065
Energy: 0.6288482440195066
Energy: 0.8637767512373906
Energy: 0.6451036285364006
Energy: 0.6124538340494926
Energy: 0.6451036285364006
Energy: 0.6158859238376827
Energy: 0.6467103392842012
Energy: 0.8090940929619633
Energy: 0.6467103392810534
Energy: 0.8561341343700682
Energy: 0.709751309403921
Energy: 0.6143453278003066
Energy: 0.7097513094094294
Energy: 0.6140239716617772
Energy: 0.6459581832926834
Energy: 0.600363136912171
Energy: 0.6459581832926834
Energy: 0.8792166446150362
Energy: 0.6452165117408257
Energy: 0.6187661185627643
Energy: 0.6452165117408257
Energy: 0.6484183674304865
Energy: 0.6465410674849053
Energy: 0.5887480095427191
Energy: 0.6465410674833314
Energy: 1.186366885764235
Energy: 0.6670040688152625
Energy: 0.614540067131972
Energy: 0.6670040688467035
Energy: 1.0344595580380491
Energy: 0.6457577754470272
Energy: 0.6001188502544664
Energy: 0.6457577754462401
Energy: 1.0445232014985473
Energy: 0.6470886595623344
Energy: 0.6186646303140415
Energy: 0.6470886595623344
Energy: 0.6484883538798412
Energy: 0.7075259579050637
Energy: 0.5897773634456028
Energy: 0.7075259579003422
Energy: 1.012529762378169
Energy: 1.17119481372078
Energy: 0.6146604252593889
Energy: 1.17119481372078
Energy: 0.6140705004019309
Energy: 0.6450868910144404
Energy: 0.8630565915912982
Energy: 0.6450868910136535
Energy: 0.629019503457659
Energy: 0.6468908603490467
Energy: 0.6187285899460254
Energy: 0.6468908603152091
Energy: 0.6162816119356513
Energy: 0.7076799344823396
Energy: 0.8546909464555552
Energy: 0.7076799344839134
Energy: 0.5976895125776113
Energy: 0.9486405034060756
Energy: 0.6164414162350687
Energy: 0.9486405034060756
Energy: 0.6184649819220076
Energy: 0.6450116960698566
Energy: 0.8763553971294654
Energy: 0.6450116960667089
Energy: 0.6016069538510603
Energy: 0.647941498255901
Energy: 0.6515155480538125
Energy: 0.6479414982551142

minimum gb energy = 0.581757551102408 eV
minimum distance =  2.33286531768347 Angstroms
sigma value = 15


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

Energy: 0.9383192541041785
Energy: 0.5753626396613725
Energy: 0.993829423726851
Energy: 0.5753626396620392
Energy: 1.3412439088968844
Energy: 0.5728237411670044
Energy: 0.5737945977622555
Energy: 0.5728237411650046
Energy: 0.5997710744873185
Energy: 0.5723838620979388
Energy: 0.5416898387549064
Energy: 0.5723838620979388
Energy: 1.0496011948729913
Energy: 0.5726711236069238
Energy: 0.573641171778203
Energy: 0.5726711236089238
Energy: 0.5718778545112303
Energy: 0.6286174543108843
Energy: 0.9014135562967384
Energy: 0.6286174543502155
Energy: 0.9026664267023329
Energy: 0.5727043259285568
Energy: 0.5739234348708455
Energy: 0.5727043259312233
Energy: 0.5735374975933023
Energy: 0.5859245289057393
Energy: 0.5585302647535632
Energy: 0.5859245289050726
Energy: 0.728946257074238
Energy: 0.5857945018912453
Energy: 0.5739065361441336
Energy: 0.5857945018925785
Energy: 0.5749559163957054
Energy: 0.5877806860506564
Energy: 0.8206943762322835
Energy: 0.5877806860466567
Energy: 0.5497961485829708
Energy: 0.5728496304280487
Energy: 0.5723808238257113
Energy: 0.5728496304267154
Energy: 0.5735871957936807
Energy: 0.5726242568841311
Energy: 1.0478192270570261
Energy: 0.572624256880798
Energy: 0.544670308244298
Energy: 0.5721892511429185
Energy: 0.6001990731101274
Energy: 0.5721892511409187
Energy: 0.5750313195807029
Energy: 0.5875789454073987
Energy: 1.1987366293257964
Energy: 0.5875789452967985
Energy: 0.5484463774135835
Energy: 0.5730748310112523
Energy: 0.9347980446240861
Energy: 0.5730748310312513
Energy: 0.5734725338673613
Energy: 0.5726993258583613
Energy: 1.1975758631866091
Energy: 0.5726993259316301
Energy: 0.7758491482299974
Energy: 0.5721019694127771
Energy: 0.6004345551207114
Energy: 0.5721019694127771
Energy: 0.5750149612962779
Energy: 0.5867640453517629
Energy: 1.0469144067812086
Energy: 0.5867640453677618
Energy: 0.7751248659161925
Energy: 0.6262846843032538
Energy: 0.5722901674770504
Energy: 0.6262846842413176
Energy: 0.5737581855875484
Energy: 0.5724229294903568
Energy: 0.9062376490298668
Energy: 0.572422929486357
Energy: 0.7696874354871589
Energy: 0.5719214637320464
Energy: 0.5741111931247821
Energy: 0.5719214637300466
Energy: 0.5748972400428322
Energy: 0.6000375314440596
Energy: 0.7302056435854252
Energy: 0.6000375314247273
Energy: 0.7854360533982013
Energy: 0.5860487078497111
Energy: 0.5764799129686274
Energy: 0.5860487078530443
Energy: 0.57363688169949
Energy: 0.5723854289820105
Energy: 0.547455225261353
Energy: 0.5723854289833438
Energy: 1.0974477734603045
Energy: 0.5717567691906524
Energy: 0.5738126171452803
Energy: 0.5717567691906524
Energy: 0.6014965417161603
Energy: 0.6001952387424955
Energy: 0.5418677159186513
Energy: 0.6001952387418288
Energy: 1.0694631205722809
Energy: 0.586093995789721
Energy: 0.5767722010919958
Energy: 0.5860939957863878
Energy: 0.9330930901096567
Energy: 0.5729397894583494
Energy: 0.5479163844285247
Energy: 0.5729397894590161
Energy: 1.1940706080268517
Energy: 0.5727201443469675
Energy: 0.5737184783362234
Energy: 0.5727201443489675
Energy: 0.6017083400120139
Energy: 0.654115482511337
Energy: 0.540297787749314
Energy: 0.6541154825120037
Energy: 0.9229182345832001
Energy: 0.5864117092838441
Energy: 0.5768014037320346
Energy: 0.5864117092811775
Energy: 0.5735076932726634
Energy: 0.6256736049609016
Energy: 0.776354404129222
Energy: 0.6256736048083036
Energy: 0.9017273508365007
Energy: 0.5722862914147501
Energy: 0.5744101058998251
Energy: 0.5722862914187499
Energy: 0.5749186898347322
Energy: 0.6545663760904821
Energy: 0.7682136686500957
Energy: 0.6545663760944819
Energy: 0.5675087758928855
Energy: 0.5996844264425887
Energy: 0.5766886478373869
Energy: 0.599684426445922
Energy: 0.5522374433372118
Energy: 0.6276049826207918
Energy: 0.7830658964771942
Energy: 0.627604982625458
Energy: 0.5483846969808159
Energy: 0.5719087362743204
Energy: 0.5754442720816288
Energy: 0.5719087362729871
Energy: 0.5749756269830895
Energy: 0.6538461541528554
Energy: 1.0952314130719745
Energy: 0.6538461541315231

minimum gb energy = 0.540297787749314 eV
minimum distance =  2.33618935321239 Angstroms
sigma value = 85


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

Energy: 0.8887032975975071
Energy: 0.5625299447734148
Energy: 0.7218600647130573
Energy: 0.562529944773993
Energy: 1.322352505051533
Energy: 0.5604898014891082
Energy: 0.5210575693183881
Energy: 0.56048980148853
Energy: 0.8549096055541623
Energy: 0.5602024839117729
Energy: 0.6776744670638005
Energy: 0.560202483912351
Energy: 1.0504097145479145
Energy: 0.5604449270675592
Energy: 0.5210471421528451
Energy: 0.5604449271316836
Energy: 0.5596726356402302
Energy: 0.519930985681984
Energy: 0.4573897840230682
Energy: 0.519930985681984
Energy: 0.9177193434606353
Energy: 0.5600479518467623
Energy: 0.5209818282403965
Energy: 0.5600479518479187
Energy: 0.5197491720597884
Energy: 0.5794786838016434
Energy: 0.49671180225186307
Energy: 0.5794786838022215
Energy: 0.7835655772982422
Energy: 0.559530847546463
Energy: 0.5210221047425367
Energy: 0.5595308475487756
Energy: 0.52061890448991
Energy: 0.5395059061582234
Energy: 0.6584328887848
Energy: 0.5395059061582234
Energy: 0.6206161635844143
Energy: 0.5799164080792905
Energy: 0.5199985964083473
Energy: 0.5799164080792905
Energy: 0.5218355064415987
Energy: 0.5601232173105472
Energy: 0.9919199738174556
Energy: 0.5601232173117034
Energy: 0.45634987841646435
Energy: 0.5598050121204634
Energy: 0.5604904532544511
Energy: 0.5598050121204634
Energy: 0.520806623961871
Energy: 0.5396810790779647
Energy: 1.0544882747715998
Energy: 0.5396810790768084
Energy: 0.45204162326286457
Energy: 0.5603778071001967
Energy: 0.8525637821919669
Energy: 0.5603778071007486
Energy: 0.522174421128762
Energy: 0.5604459741562975
Energy: 1.1873602669044694
Energy: 0.5604459741551412
Energy: 0.4563691499426305
Energy: 0.5593324766140785
Energy: 0.8874989109347238
Energy: 0.5593324766140785
Energy: 0.5209779045434895
Energy: 0.5396705455178221
Energy: 1.2448007818339213
Energy: 0.5396705455184002
Energy: 0.6630850165510307
Energy: 0.5593894487808261
Energy: 0.852634900338979
Energy: 0.5593894487808261
Energy: 0.5220226968868159
Energy: 0.5607349869405591
Energy: 1.050464338128297
Energy: 0.5607349869394027
Energy: 0.6611804876566293
Energy: 0.559915385779462
Energy: 0.5602871773094126
Energy: 0.5599153857748366
Energy: 0.5208247544991841
Energy: 0.5397702065060422
Energy: 0.9182270863294336
Energy: 0.539770206505464
Energy: 0.6570869918287784
Energy: 0.5592465766562709
Energy: 0.520080868624345
Energy: 0.5592465766562709
Energy: 0.5218718396717238
Energy: 0.5598384747839645
Energy: 0.7836994982080864
Energy: 0.5598384747833864
Energy: 0.6839179530989
Energy: 0.5795307979135731
Energy: 0.5211005898470266
Energy: 0.5795307979135731
Energy: 0.5209183762047164
Energy: 0.5598201484920509
Energy: 0.6210040273828489
Energy: 0.5598201484914727
Energy: 0.9656210598692593
Energy: 0.5592555141842034
Energy: 0.5232689255590723
Energy: 0.5592555141830471
Energy: 0.5612534588743837
Energy: 0.5598701323657711
Energy: 0.4562378502022128
Energy: 0.5598701323680838
Energy: 0.9928423920090927
Energy: 0.5793233159483824
Energy: 0.5210622684352179
Energy: 0.5793233159483824
Energy: 0.8514687263129698
Energy: 0.559453498844485
Energy: 0.45099559418129004
Energy: 0.559453498844485
Energy: 1.1917980869253009
Energy: 0.559591292431828
Energy: 0.5232832405515072
Energy: 0.5595912933287551
Energy: 0.8860675948362746
Energy: 0.5594046147445173
Energy: 0.456604318644193
Energy: 0.5594046147456736
Energy: 1.079221599835579
Energy: 0.5792954281238617
Energy: 0.5211238204892995
Energy: 0.5792954281221271
Energy: 0.8513673358683422
Energy: 0.5596009369344118
Energy: 0.45015157715375836
Energy: 0.55960093693499
Energy: 1.0575281573432247
Energy: 0.5596704194597982
Energy: 0.5232505413953993
Energy: 0.5596704194597982
Energy: 0.5617465251075713
Energy: 0.5597983152314342
Energy: 0.6610196022847825
Energy: 0.5597983152285434
Energy: 0.8127480044068692
Energy: 0.5801546642993756
Energy: 0.521256437603787
Energy: 0.5801546642993756
Energy: 0.52113342868096
Energy: 0.5592750700158736
Energy: 0.6567802714485644
Energy: 0.5592750700135609
Energy: 0.7832833202878561
Energy: 0.559663965443307
Energy: 0.5233140970476464
Energy: 0.5596639654444633
Energy: 0.5220364190629049
Energy: 0.7889249373704651
Energy: 0.6840122336602013
Energy: 0.7889249373710433
Energy: 0.4825886480980774
Energy: 0.5992617978335528
Energy: 0.5224195501064183
Energy: 0.5992617978335528
Energy: 0.5252136084284675
Energy: 0.5592275886444347
Energy: 0.97037453809702
Energy: 0.5592275886450128
Energy: 0.4566228242836873
Energy: 0.5597809097107026
Energy: 0.5629396528521419
Energy: 0.5597809097095463
Energy: 0.5220792833379768
Energy: 0.7893746503310567
Energy: 0.9926190908567466
Energy: 0.789374650332213

minimum gb energy = 0.45015157715375836 eV
minimum distance =  2.2970189400315 Angstroms
sigma value = 113


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

Energy: 0.018594402365216707
Energy: 0.01903765020997049
Energy: 0.7432230778354638
Energy: 0.01903765020997049
Energy: 0.7432724499694
Energy: -0.5190396310551731
Energy: -0.5189275072313476
Energy: -0.5190396310547286
Energy: 0.01859440236477224
Energy: 0.01903765020997049
Energy: 0.74318762921208
Energy: 0.01903765020997049
Energy: 0.7432724499689556
Energy: -0.5190396310542842
Energy: -0.5189275072326316
Energy: -0.5190396310547286
Energy: 0.01859440236477224
Energy: 0.01903765020997049
Energy: 0.7431846690037663
Energy: 0.019037650210414956
Energy: 0.7432724499689556
Energy: -0.5190396310538397
Energy: -0.5189275072321871
Energy: -0.5190396310534446

minimum gb energy = -0.5190396310551731 eV
minimum distance =  2.46773771032256 Angstroms
sigma value = 1