Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520000994205475
cohesive_energy=4.414156524791696
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: -0.0364522165523 eV

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

Energy: 0.01801383177216279
Energy: 0.9706881346814057
Energy: 0.01801383177216279
Energy: 0.9706881346810751
Energy: 0.01801383177216279
Energy: 0.9706881346810751
Energy: 0.9706881346814057
Energy: 0.5235329411250945
Energy: 0.9706881346810751
Energy: 0.5235329411250945
Energy: 0.9706881346810751
Energy: 0.5235329411250945
Energy: 0.01801383177216279
Energy: 0.9706881346814057
Energy: 0.01801383177216279
Energy: 0.9706881346810751
Energy: 0.01801383177216279
Energy: 0.9706881346810751
Energy: 0.9706881346807443
Energy: 0.5235329411250945
Energy: 0.9706881346814057
Energy: 1.0069504594565692
Energy: 0.9706881346817366
Energy: 1.2885623749462762
Energy: 0.018013831772493556
Energy: 0.9706881346810751
Energy: 0.01801383177216279
Energy: 0.9706881346814057
Energy: 0.018013831772493556
Energy: 0.9706881346814057
Energy: 0.9706881346814057
Energy: 0.5235329411250945
Energy: 0.9706881346807443
Energy: 1.2885623749459454
Energy: 0.9706881346810751
Energy: 1.1043959889807502

minimum gb energy = 0.01801383177216279 eV
minimum distance =  2.31299879992922 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2996848057724886
Energy: 1.238277725375784
Energy: 1.2996848057724886
Energy: 1.238277725375784
Energy: 1.2996848057716923
Energy: 1.238277725375784
Energy: 1.3961162647033447
Energy: 1.1569069663197171
Energy: 1.396116264704141
Energy: 1.1569069663197171
Energy: 1.3961162647033447
Energy: 1.156906966318921
Energy: 1.274581670679259
Energy: 1.2980874599033376
Energy: 1.2745816706800552
Energy: 1.2980874599017453
Energy: 1.274581670679259
Energy: 1.298087459904134
Energy: 1.288963740681765
Energy: 1.209213171647601
Energy: 1.2889637406833572
Energy: 1.209213171647601
Energy: 1.288963740685746
Energy: 1.209213171647601
Energy: 1.2450780015940826
Energy: 1.3547367520918205
Energy: 1.2450780015932863
Energy: 1.3547367520918205
Energy: 1.2450780015940826
Energy: 1.3547367520918205
Energy: 1.3042843266052373
Energy: 1.175932067271972
Energy: 1.304284326604441
Energy: 1.175932067271972
Energy: 1.304284326604441
Energy: 1.1759320672711757
Energy: 1.2075478230258718
Energy: 1.276681063512624
Energy: 1.2075478230250756
Energy: 1.2766810635142163
Energy: 1.2075478230250756
Energy: 1.2766810635142163
Energy: 1.2078608861693136
Energy: 1.3735465427161486
Energy: 1.2078608861685176
Energy: 1.3735465427145563
Energy: 1.2078608861677214
Energy: 1.3735465427161486
Energy: 1.3359786365453494
Energy: 1.287092353145821
Energy: 1.3359786365453494
Energy: 1.2870923531466172
Energy: 1.3359786365461455
Energy: 1.287092353145821
Energy: 1.1408044271665496
Energy: 1.3592437750961637
Energy: 1.1408044271673459
Energy: 1.3592437750913866
Energy: 1.1408044271689382
Energy: 1.3592437750921829
Energy: 1.307455099248665
Energy: 1.1738506710625762
Energy: 1.307455099247869
Energy: 1.1738506710625762
Energy: 1.307455099248665
Energy: 1.1738506710625762
Energy: 1.1255810331028266
Energy: 1.2299634145817868
Energy: 1.125581033103623
Energy: 1.229963414582583
Energy: 1.1255810331028266
Energy: 1.2299634145849714
Energy: 1.4041932462433981
Energy: 1.114771265971547
Energy: 1.4041932462441944
Energy: 1.114771265971547
Energy: 1.4041932462441944
Energy: 1.114771265971547
Energy: 1.192192953644484
Energy: 1.228076296644653
Energy: 1.1921929536436877
Energy: 1.228076296645449
Energy: 1.192192953644484
Energy: 1.228076296645449
Energy: 1.442844468659139
Energy: 1.1517708861823375
Energy: 1.4428444686599353
Energy: 1.1517708861831337
Energy: 1.442844468659139
Energy: 1.1517708861831337
Energy: 1.4383302015240362
Energy: 1.3035638968570538
Energy: 1.43833020152324
Energy: 1.3035638968570538
Energy: 1.43833020152324
Energy: 1.3035638968570538
Energy: 1.2658397430291335
Energy: 1.264995826046372
Energy: 1.26583974302993
Energy: 1.264995826047168
Energy: 1.265839743031522
Energy: 1.2649958260455758
Energy: 1.2658303421302728
Energy: 1.214849387209517
Energy: 1.2658303421286807
Energy: 1.214849387209517
Energy: 1.2658303421302728
Energy: 1.214849387208721
Energy: 1.2577496657774088
Energy: 1.2104749060409827
Energy: 1.2577496657774088
Energy: 1.2104749060409827
Energy: 1.2577496657766125
Energy: 1.2104749060401867
Energy: 1.3103861939700578
Energy: 1.1757765860179947
Energy: 1.310386193967669
Energy: 1.1757765860179947
Energy: 1.3103861939708539
Energy: 1.1757765860179947
Energy: 1.1686514469689346
Energy: 1.3882600146742703
Energy: 1.1686514469681386
Energy: 1.3882600146734743
Energy: 1.1686514469697307
Energy: 1.3882600146750665
Energy: 1.318613519814148
Energy: 1.2793478610877924
Energy: 1.3186135198149445
Energy: 1.2793478610877924
Energy: 1.318613519813352
Energy: 1.2793478610877924
Energy: 1.1398634221601494
Energy: 1.3915164850131396
Energy: 1.1398634221601494
Energy: 1.3915164850123436
Energy: 1.139863422159353
Energy: 1.3915164850099548

minimum gb energy = 1.114771265971547 eV
minimum distance =  2.2635321325184 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.3974434102830007
Energy: 1.3800152439380737
Energy: 1.2913901712878206
Energy: 1.3800152439421496
Energy: 1.3974434102802833
Energy: 1.3800152439421496
Energy: 1.4027132791927652
Energy: 1.2117942539232
Energy: 1.4027132791981995
Energy: 1.2117942539245588
Energy: 1.4027132791986525
Energy: 1.211794253922747
Energy: 1.1969759713650125
Energy: 1.057200852710874
Energy: 1.1969759713609367
Energy: 1.0572008527104213
Energy: 1.1969759713641068
Energy: 1.0572008527036283
Energy: 1.4779830218432537
Energy: 1.0774483288917653
Energy: 1.4779830218464238
Energy: 1.0774483289342942
Energy: 1.4779830218400836
Energy: 1.0774483289664478
Energy: 1.300864432923913
Energy: 1.1341949653420986
Energy: 1.3008644329302532
Energy: 1.1341949653144734
Energy: 1.3008644329334234
Energy: 1.1341949652837195
Energy: 1.2064864520092926
Energy: 1.1944008664919796
Energy: 1.2064864520056695
Energy: 1.1944096953045173
Energy: 1.2064864520065752
Energy: 1.194400866500131
Energy: 1.358853784084357
Energy: 1.3457866969849552
Energy: 1.3588537840771113
Energy: 1.292015796921101
Energy: 1.3588537840757526
Energy: 1.3457866969885783
Energy: 1.108596036376752
Energy: 1.1965564713863104
Energy: 1.1085960363762994
Energy: 1.1965564725899565
Energy: 1.1085960363817338
Energy: 1.1965564733323337
Energy: 1.1742668273844519
Energy: 1.1962990827495816
Energy: 1.1742668273830934
Energy: 1.1962990827495816
Energy: 1.1742668273830934
Energy: 1.196299082751393
Energy: 1.1823953979250064
Energy: 1.3117059035901801
Energy: 1.182389807342809
Energy: 1.3117059035611964
Energy: 1.1823953979245536
Energy: 1.3117059035467047
Energy: 1.1858692356367733
Energy: 1.1851192889093176
Energy: 1.1858692356593756
Energy: 1.185119288901166
Energy: 1.1858692356770377
Energy: 1.185119288903883
Energy: 1.1940187784464802
Energy: 1.2777805446130692
Energy: 1.1940181018830103
Energy: 1.277780544610352
Energy: 1.1940187784410459
Energy: 1.277780544613975
Energy: 1.2530861937695537
Energy: 1.1959119388824662
Energy: 1.2530861937709121
Energy: 1.1959119388815604
Energy: 1.2530861937564204
Energy: 1.1959119388829191
Energy: 1.3025378591677423
Energy: 1.188353155792927
Energy: 1.3025378591695536
Energy: 1.1883531558001728
Energy: 1.3025378591672894
Energy: 1.188353155806966
Energy: 1.2999979321761863
Energy: 1.215641269696958
Energy: 1.2999979321793567
Energy: 1.2156412696946937
Energy: 1.2999979321693935
Energy: 1.2156412696960521
Energy: 1.1948366587218138
Energy: 1.019511801101124
Energy: 1.1948366587245312
Energy: 1.019511800814128
Energy: 1.1948366587240782
Energy: 1.019511800630798
Energy: 1.202657002173382
Energy: 1.32244057063587
Energy: 1.2026570022173102
Energy: 1.3224405706376814
Energy: 1.2026570022340666
Energy: 1.32244057063587
Energy: 1.2987425166257196
Energy: 1.1941705792710837
Energy: 1.2987425166207383
Energy: 1.1942411582515415
Energy: 1.298742516624814
Energy: 1.1941705792751596
Energy: 1.2536919160048527
Energy: 1.2249807699092137
Energy: 1.2536919160053055
Energy: 1.1932523198745013
Energy: 1.25369191600757
Energy: 1.2249807699110251
Energy: 1.3824807331669353
Energy: 1.294486289984084
Energy: 1.3824807331642184
Energy: 1.3476594997104037
Energy: 1.3824807331673883
Energy: 1.294486289980914
Energy: 1.107417433382766
Energy: 1.2632644667770894
Energy: 1.107417433380049
Energy: 1.263264466875321
Energy: 1.1074174333823132
Energy: 1.263264466937323
Energy: 1.0200787544284091
Energy: 1.1982888155111284
Energy: 1.0200787544338434
Energy: 1.1982888155124871
Energy: 1.0200787544465237
Energy: 1.198288815515657
Energy: 1.1820142561869815
Energy: 1.2007094747825278
Energy: 1.1820104277266532
Energy: 1.2007094683686539
Energy: 1.1820142561842641
Energy: 1.200709464066019
Energy: 1.2120623508228971
Energy: 1.3005224847513803
Energy: 1.21206235082018
Energy: 1.3005224847559091
Energy: 1.2120623508247088
Energy: 1.3005224847513803
Energy: 1.196797461791732
Energy: 1.2305779266523367
Energy: 1.197139202802607
Energy: 1.2305779266595829
Energy: 1.1967974617899206
Energy: 1.230577926657771
Energy: 1.188664945209834
Energy: 1.1853901359979913
Energy: 1.292090802619077
Energy: 1.1853901359975385
Energy: 1.188664945309877
Energy: 1.1853901359952743
Energy: 1.1826001038941825
Energy: 1.0794967922054246
Energy: 1.2917342369639362
Energy: 1.0794967922280683
Energy: 1.1826001191640518
Energy: 1.079496792242107
Energy: 1.197217326215928
Energy: 1.1728458089552825
Energy: 1.1972173262145693
Energy: 1.1728458089521123
Energy: 1.1972173262150223
Energy: 1.172845808953018
Energy: 1.2069582958939555
Energy: 1.211382183813695
Energy: 1.2069582975615873
Energy: 1.2113821838127894
Energy: 1.2069582990508296
Energy: 1.2113821838123364
Energy: 1.1822567774239914
Energy: 1.1759743815009094
Energy: 1.182256777425803
Energy: 1.1759743775540656
Energy: 1.1822567774294261
Energy: 1.1759743744641749
Energy: 1.2981350265660947
Energy: 1.1964238719397804
Energy: 1.2981350265660947
Energy: 1.196214408674978
Energy: 1.2981350265660947
Energy: 1.1964238719361575
Energy: 1.1951534043902894
Energy: 1.2103702290789706
Energy: 1.1951534043930065
Energy: 1.1487369399553733
Energy: 1.1951534043939123
Energy: 1.2103702291192762
Energy: 1.380953704271371
Energy: 1.3476617187109963
Energy: 1.380953704275447
Energy: 1.2945014905476748
Energy: 1.380953704274994
Energy: 1.3476617187119018
Energy: 1.2167402138762882
Energy: 1.2992496219108787
Energy: 1.216740213879911
Energy: 1.2992496219081615
Energy: 1.216740213876741
Energy: 1.299249621906803
Energy: 1.110984056055574
Energy: 1.1948023792890898
Energy: 1.110984056051045
Energy: 1.1948023792909013
Energy: 1.110984056048781
Energy: 1.194802379288637
Energy: 1.326425464287361
Energy: 1.4720142202318571
Energy: 1.3264254642900783
Energy: 1.4720142202341215
Energy: 1.3264254642937012
Energy: 1.4720142202336686
Energy: 1.1944787338540666
Energy: 1.2999540284094675
Energy: 1.1944861385734185
Energy: 1.2999540284103734
Energy: 1.1944787338477263
Energy: 1.299954028408562
Energy: 1.2264686823011615
Energy: 1.1839179465058107
Energy: 1.2264686822966326
Energy: 1.183917946505358
Energy: 1.2264686822934627
Energy: 1.1839179465103393
Energy: 1.3035838950955236
Energy: 1.3873710826677812
Energy: 1.3035838950941652
Energy: 1.3873710826677812
Energy: 1.3035838950914478
Energy: 1.3873710826695926
Energy: 1.1859869500669022
Energy: 1.108170914166665
Energy: 1.185986950102679
Energy: 1.108170914165306
Energy: 1.1859869501338858
Energy: 1.108170914162136
Energy: 1.1940104397906204
Energy: 1.1721251000450943
Energy: 1.194010439788356
Energy: 1.1721251000469057
Energy: 1.1940104397879032
Energy: 1.1721251000478115

minimum gb energy = 1.019511800630798 eV
minimum distance =  2.35511269983053 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.272090419979065
Energy: 1.2941482727737657
Energy: 1.272090419979065
Energy: 1.2941482727737657
Energy: 1.272090419979065
Energy: 1.2941482727737657
Energy: 1.3722681036857314
Energy: 1.2219277361892371
Energy: 1.3722681036857314
Energy: 1.2219277361892371
Energy: 1.3722681036857314
Energy: 1.2219277361892371
Energy: 1.2235447807648365
Energy: 1.2921311852014976
Energy: 1.2235447807648365
Energy: 1.292131185200448
Energy: 1.2235447807648365
Energy: 1.292131185200448
Energy: 1.2679692048233315
Energy: 1.1371845467276043
Energy: 1.2679692048233315
Energy: 1.1371845467286534
Energy: 1.2679692048233315
Energy: 1.1371845467286534
Energy: 1.2955874121958624
Energy: 1.2337000622194418
Energy: 1.2955874121969115
Energy: 1.233700062220491
Energy: 1.2955874121969115
Energy: 1.2337000622225895
Energy: 1.2950870868748834
Energy: 1.2332688114608419
Energy: 1.295087086875933
Energy: 1.2332688114608419
Energy: 1.2950870868738342
Energy: 1.233268811461891
Energy: 1.2419888941972672
Energy: 1.2332965449072024
Energy: 1.2419888941972672
Energy: 1.2332965449072024
Energy: 1.2419888941972672
Energy: 1.2332965449061533
Energy: 1.1805618197327734
Energy: 1.2343285361199703
Energy: 1.1805618197327734
Energy: 1.2343285361210194
Energy: 1.1805618197327734
Energy: 1.2343285361210194
Energy: 1.4527854429620621
Energy: 1.132339521830775
Energy: 1.4527854429620621
Energy: 1.132339521830775
Energy: 1.4527854429631115
Energy: 1.132339521830775
Energy: 1.1564100588075767
Energy: 1.3100359458320292
Energy: 1.1564100588075767
Energy: 1.3100359458225856
Energy: 1.1564100588075767
Energy: 1.31003594583098
Energy: 1.3631128467306326
Energy: 1.1356069941839118
Energy: 1.3631128467295832
Energy: 1.1356069941828626
Energy: 1.3631128467295832
Energy: 1.1356069941839118
Energy: 1.2752343813683518
Energy: 1.2968296736503768
Energy: 1.2752343813683518
Energy: 1.2968296736493274
Energy: 1.2752343813683518
Energy: 1.2968296736493274
Energy: 1.3708542695470416
Energy: 1.2222922766212823
Energy: 1.3708542695491401
Energy: 1.2222922766212823
Energy: 1.3708542695480908
Energy: 1.2222922766212823
Energy: 1.223544272662608
Energy: 1.1954231484771938
Energy: 1.223544272662608
Energy: 1.195423148478243
Energy: 1.2235442726636574
Energy: 1.1954231484771938
Energy: 1.268411984395383
Energy: 1.2757211081200013
Energy: 1.268411984396432
Energy: 1.2757211081200013
Energy: 1.268411984396432
Energy: 1.2757211081200013
Energy: 1.293460237864707
Energy: 1.2332240228509008
Energy: 1.293460237867855
Energy: 1.2332240228509008
Energy: 1.293460237864707
Energy: 1.2332240228509008
Energy: 1.2955752379992163
Energy: 1.3331017246792087
Energy: 1.2955752379992163
Energy: 1.3331017246792087
Energy: 1.2955752380002656
Energy: 1.3331017246771102
Energy: 1.2768057052038728
Energy: 1.238608190174766
Energy: 1.2768057052038728
Energy: 1.238608190174766
Energy: 1.2768057052038728
Energy: 1.238608190174766

minimum gb energy = 1.132339521830775 eV
minimum distance =  2.25993528486255 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632163103
Energy: 1.0987062843952977
Energy: 1.1918390471258007
Energy: 1.2794236592659296
Energy: 1.1918390471251783
Energy: 1.2794236592653077
Energy: 1.1918390471258007
Energy: 1.2794236592659296
Energy: 1.0325893135826372
Energy: 1.277211095793609
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.0325893135826372
Energy: 1.277211095793609
Energy: 1.1153605315339254
Energy: 1.0324167364483052
Energy: 1.115360531533303
Energy: 1.0324167364483052
Energy: 1.115360531533303
Energy: 1.0324167364483052
Energy: 1.0509641758726302
Energy: 1.0574769587192467
Energy: 1.0509641758726302
Energy: 1.0574769587155122
Energy: 1.0509641758726302
Energy: 1.057476958716757
Energy: 1.0508223301704196
Energy: 1.0575548972908948
Energy: 1.0508223301704196
Energy: 1.0575548972884052
Energy: 1.0508223301704196
Energy: 1.0575548972884052
Energy: 1.1153560229812576
Energy: 1.032407378883303
Energy: 1.1153560229812576
Energy: 1.032407378883303
Energy: 1.1153560229806352
Energy: 1.032407378883303
Energy: 1.0325880682137012
Energy: 1.2774173179443162
Energy: 1.0325880682137012
Energy: 1.2774173179449386
Energy: 1.0325880682130786
Energy: 1.2774173179443162
Energy: 1.1940248584855735
Energy: 1.2798779825886357
Energy: 1.1940248584861959
Energy: 1.2798779825886357
Energy: 1.1940248584861959
Energy: 1.2798779825886357
Energy: 1.0603526632150655
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.1918390471264233
Energy: 1.279423659264685
Energy: 1.1918390471270455
Energy: 1.2794236592665522
Energy: 1.1918390471258007
Energy: 1.2794236592653077
Energy: 1.0325893135826372
Energy: 1.277211095793609
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.115360531533303
Energy: 1.0324167364483052
Energy: 1.115360531533303
Energy: 1.0324167364483052
Energy: 1.1153605315339254
Energy: 1.0324167364483052
Energy: 1.0509641758726302
Energy: 1.057476958716757
Energy: 1.0509641758726302
Energy: 1.0574769587180017
Energy: 1.0509641758726302
Energy: 1.0574769587186241
Energy: 1.0508223301704196
Energy: 1.0575548972908948
Energy: 1.0508223301704196
Energy: 1.05755489728965
Energy: 1.0508223301704196
Energy: 1.0575548972877828
Energy: 1.1153560229812576
Energy: 1.032407378883303
Energy: 1.1153560229806352
Energy: 1.032407378883303
Energy: 1.1153560229806352
Energy: 1.032407378883303
Energy: 1.0325880682137012
Energy: 1.2774173179443162
Energy: 1.0325880682137012
Energy: 1.2774173179443162
Energy: 1.0325880682137012
Energy: 1.2774173179430712
Energy: 1.1940248584799718
Energy: 1.2798779825886357
Energy: 1.1940248584868183
Energy: 1.2798779825886357
Energy: 1.1940248584849509
Energy: 1.2798779825886357
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.1918390471258007
Energy: 1.2794236592653077
Energy: 1.1918390471264233
Energy: 1.2794236592659296
Energy: 1.191839047127668
Energy: 1.2794236592659296
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.115360531533303
Energy: 1.0324167364483052
Energy: 1.115360531533303
Energy: 1.0324167364483052
Energy: 1.1153605315339254
Energy: 1.0324167364476828
Energy: 1.0509641758732526
Energy: 1.0574769587180017
Energy: 1.0509641758726302
Energy: 1.0574769587161346
Energy: 1.0509641758726302
Energy: 1.0574769587173791
Energy: 1.0508223301704196
Energy: 1.0575548972871605
Energy: 1.0508223301704196
Energy: 1.0575548972902726
Energy: 1.0508223301710422
Energy: 1.0575548972884052
Energy: 1.1153560229812576
Energy: 1.032407378883303
Energy: 1.1153560229806352
Energy: 1.032407378883303
Energy: 1.1153560229800126
Energy: 1.032407378883303
Energy: 1.0325880682137012
Energy: 1.2774173179443162
Energy: 1.0325880682137012
Energy: 1.2774173179443162
Energy: 1.0325880682130786
Energy: 1.2774173179430712
Energy: 1.1940248584824613
Energy: 1.2798779825886357
Energy: 1.1940248584855735
Energy: 1.2798779825880133
Energy: 1.1940248584855735
Energy: 1.2798779825886357
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.0987062843952977
Energy: 1.0603526632156877
Energy: 1.09870628439592
Energy: 1.1918390471258007
Energy: 1.2794236592653077
Energy: 1.1918390471270455
Energy: 1.2794236592653077
Energy: 1.1918390471264233
Energy: 1.2794236592653077
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.0325893135826372
Energy: 1.2772110957929865
Energy: 1.0325893135826372
Energy: 1.2772110957929865

minimum gb energy = 1.032407378883303 eV
minimum distance =  2.26946900589469 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.044110119205124
Energy: 1.0166601659060641
Energy: 1.044110119205124
Energy: 1.0166601659060641
Energy: 1.044110119205124
Energy: 1.0166601659060641
Energy: 1.204675008519466
Energy: 1.0524541303036152
Energy: 1.2046750085179412
Energy: 1.0524541303036152
Energy: 1.2046750085179412
Energy: 1.0524541303051396
Energy: 1.0649816027918821
Energy: 1.1778362307134222
Energy: 1.0649816027964558
Energy: 1.1778362307134222
Energy: 1.0649816027949315
Energy: 1.1778362307149468
Energy: 1.174786489745381
Energy: 0.9856370512759414
Energy: 1.174786489742332
Energy: 0.9856370512759414
Energy: 1.1747864897438565
Energy: 0.9856370512759414
Energy: 1.246950077809022
Energy: 0.985477890678984
Energy: 1.2469500778074973
Energy: 0.985477890678984
Energy: 1.246950077809022
Energy: 0.985477890678984
Energy: 1.1949568882630248
Energy: 1.2446610166709848
Energy: 1.1949568882630248
Energy: 1.2446610166709848
Energy: 1.1949568882630248
Energy: 1.2446610166709848
Energy: 1.1116354562774051
Energy: 1.0567560268929526
Energy: 1.1116354562774051
Energy: 1.056756026891428
Energy: 1.1116354562774051
Energy: 1.056756026891428
Energy: 1.041119306952626
Energy: 1.0220875068808546
Energy: 1.041119306952626
Energy: 1.0220875068808546
Energy: 1.041119306952626
Energy: 1.0220875068808546
Energy: 1.1279870459200358
Energy: 1.0646907840664181
Energy: 1.127987045923085
Energy: 1.0646907842416762
Energy: 1.1279870459246095
Energy: 1.0646907841060227
Energy: 1.158350888188232
Energy: 1.1910591631714367
Energy: 1.158350888188232
Energy: 1.1910591631729612
Energy: 1.158350888188232
Energy: 1.1910591631714367
Energy: 1.0628706272788553
Energy: 0.985650802344056
Energy: 1.0628706272803798
Energy: 0.985650802344056
Energy: 1.0628706272788553
Energy: 0.985650802344056
Energy: 1.244585139847375
Energy: 1.126331995433706
Energy: 1.244585139847375
Energy: 1.126331995433706
Energy: 1.244585139847375
Energy: 1.1263319954321813

minimum gb energy = 0.985477890678984 eV
minimum distance =  2.24772481801373 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.0398682378087751
Energy: 1.0171842311968218
Energy: 1.0398682378083468
Energy: 1.0171842311976784
Energy: 1.0398682378074902
Energy: 1.0171842311972499
Energy: 0.9961776529830706
Energy: 0.9165156167978329
Energy: 0.9961776529954544
Energy: 0.9165156167982614
Energy: 0.9961776529839271
Energy: 0.9165156167982614
Energy: 0.9275967828166047
Energy: 1.0260403538319056
Energy: 0.9275967828174616
Energy: 1.026040353831477
Energy: 0.9275967828178898
Energy: 1.026040353831477
Energy: 0.9443611330734099
Energy: 0.9066990323959823
Energy: 0.9443611330725529
Energy: 0.9066990323951254
Energy: 0.9443611330721247
Energy: 0.9066990323951254
Energy: 1.0213394193112872
Energy: 0.9857920214476779
Energy: 1.0213394193117156
Energy: 0.9857920214498196
Energy: 1.0213394193112872
Energy: 0.9857920214476779
Energy: 1.0268088829107447
Energy: 1.0023062401010625
Energy: 1.0268088829103164
Energy: 1.0404430257758681
Energy: 1.0268088829081745
Energy: 1.040443025774583
Energy: 0.9586085489306689
Energy: 1.0254965772433533
Energy: 0.9586085489310973
Energy: 1.0254965772437818
Energy: 0.9586085489319539
Energy: 1.0254965772472089
Energy: 0.8850770156718318
Energy: 1.0238703229198205
Energy: 0.8850770156709749
Energy: 1.0238703229198205
Energy: 0.8850770156714033
Energy: 1.0238703229198205
Energy: 1.0395689716439596
Energy: 0.983163821191069
Energy: 1.0395689716443877
Energy: 0.9831638211906405
Energy: 1.0395689716452445
Energy: 0.9831638211906405
Energy: 1.0309282365083503
Energy: 0.947560569178796
Energy: 1.0309282365096355
Energy: 0.9475605691796527
Energy: 1.0309282365087786
Energy: 0.9475605691680868
Energy: 0.9443821987802529
Energy: 0.9125592955638314
Energy: 0.9443821987798247
Energy: 0.9125592955642599
Energy: 0.9443821987806813
Energy: 0.9125592955638314
Energy: 0.9731311161768539
Energy: 0.9785240671635249
Energy: 0.9731311161768539
Energy: 0.9785240671622398
Energy: 0.9731311161772822
Energy: 0.9785240671639533
Energy: 0.9921279369506221
Energy: 0.9961759340711063
Energy: 0.9921279369514789
Energy: 0.9961759340736764
Energy: 0.9921279369519073
Energy: 0.9961759340698212
Energy: 1.0371861290909423
Energy: 1.0142872047866802
Energy: 1.0371861290917992
Energy: 1.0142872047875369
Energy: 1.0371861290909423
Energy: 1.0142872047871085
Energy: 0.9212713659184409
Energy: 1.0164926722948653
Energy: 0.9212713659180126
Energy: 1.0164926722952938
Energy: 0.9212713659180126
Energy: 1.0164926722948653
Energy: 0.9373004857892896
Energy: 1.0166167279503109
Energy: 0.9373004857892896
Energy: 1.0166167279494542
Energy: 0.9373004857892896
Energy: 1.0166167279498826
Energy: 1.2100587619895853
Energy: 0.9072964526414329
Energy: 1.2100587619895853
Energy: 0.9072964526418611
Energy: 1.2100587619895853
Energy: 0.9072964526422896
Energy: 0.93506659203431
Energy: 0.9800094849262783
Energy: 0.9350665920330249
Energy: 0.9800094849258498
Energy: 0.9350665920330249
Energy: 0.9800094849258498
Energy: 0.8821002252499412
Energy: 1.2130979299273628
Energy: 0.8821002252477994
Energy: 1.213097929925649
Energy: 0.8821002252503697
Energy: 1.213097929924364
Energy: 1.0959118688129987
Energy: 0.9502705937834393
Energy: 1.095911868812142
Energy: 0.9956202604208106
Energy: 1.0959118688112852
Energy: 0.9110772179168753
Energy: 0.8821123092559547
Energy: 1.2125568402196398
Energy: 0.8821123092563833
Energy: 1.2125568402183546
Energy: 0.8821123092546697
Energy: 1.212556840217926
Energy: 0.9350921968838822
Energy: 0.9803406687672882
Energy: 0.9350921968834539
Energy: 0.9803406687677164
Energy: 0.9350921968843106
Energy: 0.9803406687677164
Energy: 1.2100987532576433
Energy: 0.9072515773494009
Energy: 1.2100987532567866
Energy: 0.9072515773489724
Energy: 1.2100987532572147
Energy: 0.9072515773489724
Energy: 0.9379006270228671
Energy: 0.9601379460566256
Energy: 0.9379006270224387
Energy: 0.9601379460553404
Energy: 0.9379006270224387
Energy: 0.960137946055769
Energy: 0.9212143807886235
Energy: 1.0170621290249933
Energy: 0.9212143807877667
Energy: 1.017062129024565
Energy: 0.9212143807873384
Energy: 1.0170621290249933
Energy: 1.0370275368636959
Energy: 1.0142944501375692
Energy: 1.0370275368619823
Energy: 1.0142944501375692
Energy: 1.0370275368632675
Energy: 1.0142944501371407
Energy: 0.9920399434516943
Energy: 0.9961693047018448
Energy: 0.992039943449124
Energy: 0.9961693046992746
Energy: 0.992039943449124
Energy: 0.9961693046971328
Energy: 0.9730987564180865
Energy: 0.9154893283779436
Energy: 0.9730987564180865
Energy: 0.915489328378372
Energy: 0.9730987564180865
Energy: 0.9154893283792287
Energy: 0.9444155526733591
Energy: 0.9124952325887646
Energy: 0.9444155526729306
Energy: 0.9124952325887646
Energy: 0.9444155526729306
Energy: 0.9124952325887646
Energy: 1.0310476447595607
Energy: 0.8847523309122292
Energy: 1.0310476447591321
Energy: 0.8847523309088022
Energy: 1.0310476447591321
Energy: 0.8847523309130858
Energy: 1.0394553366803545
Energy: 0.9825176531558579
Energy: 1.0394553366812112
Energy: 0.9825176531554295
Energy: 1.0394553366803545
Energy: 0.9825176531558579
Energy: 0.8850530410700788
Energy: 1.023876591739738
Energy: 0.8850530410700788
Energy: 1.0238765917401664
Energy: 0.885053041071364
Energy: 1.023876591739738
Energy: 0.9587268273160114
Energy: 1.0233863444140425
Energy: 0.9587268273151547
Energy: 1.0233863444136142
Energy: 0.958726827314298
Energy: 1.0233863444114724
Energy: 1.0271108540919505
Energy: 0.9410173310168718
Energy: 1.0271108540902372
Energy: 0.9410173310164435
Energy: 1.0271108540915221
Energy: 0.9410173310164435
Energy: 1.0214060709666963
Energy: 0.9835204058727115
Energy: 1.0214060709671247
Energy: 0.9835204058727115
Energy: 1.0214060709662678
Energy: 0.9835204058727115
Energy: 0.9443693955793929
Energy: 0.9062771582494448
Energy: 0.9443693955793929
Energy: 0.9062771582490552
Energy: 0.9443693955802497
Energy: 0.9062771582490552
Energy: 0.9274864311424345
Energy: 1.0259076405835938
Energy: 0.9274864311458614
Energy: 1.025907640584022
Energy: 0.9274864311407209
Energy: 1.0259076405835938
Energy: 0.9959778837574259
Energy: 0.9714233921508065
Energy: 0.9959778837467167
Energy: 0.9714233921520917
Energy: 0.9959778837510004
Energy: 0.9714233921516633
Energy: 1.0398682378100603
Energy: 1.017184231198107
Energy: 1.0398682378104884
Energy: 1.017184231198107
Energy: 1.0398682378100603
Energy: 1.0171842311976784
Energy: 0.9961776530091623
Energy: 0.9165156167999747
Energy: 0.9961776530023082
Energy: 0.9165156167999747
Energy: 0.9961776529980246
Energy: 0.9165156167999747
Energy: 0.9275967828208885
Energy: 1.0260403538319056
Energy: 0.9275967828217453
Energy: 1.026040353831477
Energy: 0.9275967828217453
Energy: 1.0260403538306204
Energy: 0.9443611330725529
Energy: 0.9066990323964105
Energy: 0.9443611330721247
Energy: 0.9066990323951254
Energy: 0.9443611330729813
Energy: 0.9066990323955537
Energy: 1.021339419314714
Energy: 0.9857920214455359
Energy: 1.0213394193142855
Energy: 0.9857920214468211
Energy: 1.021339419314714
Energy: 0.9857920214455359

minimum gb energy = 0.8821002252477994 eV
minimum distance =  2.30434232007431 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.4376982116044589
Energy: 0.4501693332166439
Energy: 0.43769821160348377
Energy: 0.4501693332166439
Energy: 0.43769821160348377
Energy: 0.4501693332166439
Energy: 0.5788168995772197
Energy: 0.6343985908722433
Energy: 0.5788168995772197
Energy: 0.6343985908722433
Energy: 0.5788168995772197
Energy: 0.6343985908722433
Energy: 0.49969897637546246
Energy: 0.5631624898431602
Energy: 0.49969897637546246
Energy: 0.5631624898431602
Energy: 0.49969897637546246
Energy: 0.563162489842185
Energy: 0.45264256083559334
Energy: 0.4371550425156115
Energy: 0.45264256083559334
Energy: 0.4371550425156115
Energy: 0.4526425608365685
Energy: 0.4371550425156115
Energy: 0.5790674404605372
Energy: 0.5836536102396449
Energy: 0.5790674404605372
Energy: 0.5836536102396449
Energy: 0.5790674404605372
Energy: 0.5836536102396449
Energy: 0.4374974792768539
Energy: 0.5023921426265663
Energy: 0.4374974792768539
Energy: 0.5023921426265663
Energy: 0.4374974792768539
Energy: 0.5023921426265663
Energy: 0.43745892768185
Energy: 0.5019395335580186
Energy: 0.43745892768185
Energy: 0.5019395335580186
Energy: 0.43745892768185
Energy: 0.5019395335580186
Energy: 0.5790598094906451
Energy: 0.583642117589491
Energy: 0.57905980948967
Energy: 0.583642117589491
Energy: 0.5790598094906451
Energy: 0.583642117589491
Energy: 0.4526456718006825
Energy: 0.437119091897222
Energy: 0.4526456718006825
Energy: 0.437119091897222
Energy: 0.45264567180165755
Energy: 0.43711909189819714
Energy: 0.5016182782828295
Energy: 0.5629830536629545
Energy: 0.5016182782828295
Energy: 0.5629830536629545
Energy: 0.5016182782828295
Energy: 0.5629830536619793
Energy: 0.5788270721988468
Energy: 0.6344414612362321
Energy: 0.5788270721998219
Energy: 0.6344414612362321
Energy: 0.5788270721988468
Energy: 0.6344414612362321
Energy: 0.43769821160348377
Energy: 0.4501693332156687
Energy: 0.43769821160348377
Energy: 0.4501693332166439
Energy: 0.43769821160348377
Energy: 0.4501693332166439
Energy: 0.5788168995772197
Energy: 0.6343985908761439
Energy: 0.5788168995781504
Energy: 0.6343985908741936
Energy: 0.5788168995781504
Energy: 0.6343985908761439
Energy: 0.49969897637546246
Energy: 0.5631624898431602
Energy: 0.49969897637448735
Energy: 0.5631624898431602
Energy: 0.49969897637546246
Energy: 0.5631624898431602
Energy: 0.4526425608365685
Energy: 0.4371550425156115
Energy: 0.4526425608365685
Energy: 0.4371550425156115
Energy: 0.45264256083559334
Energy: 0.4371550425156115
Energy: 0.5790674404605372
Energy: 0.5836536102396449
Energy: 0.5790674404605372
Energy: 0.5836536102396449
Energy: 0.5790674404605372
Energy: 0.5836536102396449
Energy: 0.4374974792768539
Energy: 0.5023921426265663
Energy: 0.4374974792768539
Energy: 0.5023921426265663
Energy: 0.4374974792768539
Energy: 0.5023921426265663
Energy: 0.4374589276828251
Energy: 0.5019395335589938
Energy: 0.43745892768185
Energy: 0.5019395335580186
Energy: 0.43745892768185
Energy: 0.5019395335580186
Energy: 0.5790598094906451
Energy: 0.583642117589491
Energy: 0.5790598094906451
Energy: 0.583642117589491
Energy: 0.5790598094906451
Energy: 0.583642117589491

minimum gb energy = 0.437119091897222 eV
minimum distance =  2.40464726838427 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.87747462283312
Energy: 1.0036540287334295
Energy: 0.8774746228324057
Energy: 1.0036540287334295
Energy: 0.8774746228345487
Energy: 1.0036540287334295
Energy: 1.0241510195576744
Energy: 0.8771037535740702
Energy: 1.0241510195583887
Energy: 0.8771037535733559
Energy: 1.0241510195583887
Energy: 0.8771037535740702
Energy: 0.8917255821263815
Energy: 1.1565021183339803
Energy: 1.0402946120501813
Energy: 1.156502118334695
Energy: 1.0402946120501813
Energy: 1.156502118334695
Energy: 1.022506146350621
Energy: 0.7889896942920346
Energy: 1.022506146350621
Energy: 0.7889896942920346
Energy: 1.022506146350621
Energy: 0.7889896942913202
Energy: 0.7894262756476892
Energy: 0.7570376083860487
Energy: 0.789426275646975
Energy: 0.7570376083860487
Energy: 0.789426275646975
Energy: 0.7570376083860487
Energy: 0.9306491515255745
Energy: 0.782306426056464
Energy: 0.9306491515234316
Energy: 0.7823064260571784
Energy: 0.9306491515255745
Energy: 0.7823064260557497
Energy: 0.7631369559820639
Energy: 0.8376677794244296
Energy: 0.7631369559834924
Energy: 0.8376677794208581
Energy: 0.7631369559827781
Energy: 0.8376677794222867
Energy: 1.001451766643228
Energy: 0.7248761972505613
Energy: 1.0014517666446565
Energy: 0.7248761972505613
Energy: 1.0014517666439422
Energy: 0.7248761972505613
Energy: 0.9132677558757492
Energy: 0.728905579635777
Energy: 0.9132677558736063
Energy: 0.728905579635777
Energy: 0.9132677558750348
Energy: 0.728905579635777
Energy: 0.7427405257379375
Energy: 1.0839001790758485
Energy: 0.7427405257415091
Energy: 1.083900179077277
Energy: 0.7427405257386518
Energy: 1.0839001790779914
Energy: 0.9453412891042418
Energy: 0.9534508475772782
Energy: 0.9453412891035274
Energy: 0.9534508475772782
Energy: 0.9453412891028131
Energy: 0.9534508475772782
Energy: 0.7889570801924186
Energy: 0.7602940900184646
Energy: 0.7889570801909901
Energy: 0.7602940900177503
Energy: 0.7889570801895615
Energy: 0.7602940900177503
Energy: 1.0242367273421424
Energy: 0.7951915100778151
Energy: 1.0242367273428568
Energy: 0.7951915100778151
Energy: 1.0242367273414281
Energy: 0.7951915100785293
Energy: 0.9802983612439808
Energy: 1.1239491670606458
Energy: 0.9802983612446952
Energy: 1.1239491670585031
Energy: 0.980298361241838
Energy: 1.1239491670577888
Energy: 1.0230154486359517
Energy: 0.8797933149835013
Energy: 1.0230154486359517
Energy: 0.879793314982787
Energy: 1.0230154486352374
Energy: 0.8797933149835013
Energy: 0.8335135460191434
Energy: 0.9987673790052711
Energy: 0.8335135460184291
Energy: 0.9987673790052711
Energy: 0.8335135460205723
Energy: 0.9987673790052711
Energy: 0.8876472409302835
Energy: 0.8669946884958424
Energy: 0.8876472409324263
Energy: 0.8669946884965566
Energy: 0.8876472409309978
Energy: 0.8669946884951281
Energy: 1.2332732342966952
Energy: 0.8853146400310647
Energy: 1.2332732342988382
Energy: 0.8853146400274933
Energy: 1.2332732342974098
Energy: 0.8853146400296361
Energy: 0.9364691236754773
Energy: 0.784728435914428
Energy: 0.9364691236761915
Energy: 0.784728435914428
Energy: 0.936469123674763
Energy: 0.784728435914428
Energy: 0.7894583550832779
Energy: 0.8956976262094781
Energy: 0.7894583550832779
Energy: 0.8956976262101924
Energy: 0.7894583550804206
Energy: 0.8956976262094781
Energy: 0.7431711678797512
Energy: 0.7854291276775648
Energy: 0.7431711678797512
Energy: 0.7854291276775648
Energy: 0.7431711678804656
Energy: 0.7854291276775648
Energy: 0.8014384612649366
Energy: 0.8363726671907102
Energy: 0.8014384612656508
Energy: 0.8363726671907102
Energy: 0.8014384612635079
Energy: 0.8363726671885674
Energy: 0.8079012808178588
Energy: 0.9007133092801398
Energy: 0.8079012808178588
Energy: 0.9007133092801398
Energy: 0.8079012808164303
Energy: 0.9007133092801398
Energy: 0.9105866719553944
Energy: 0.7745426177676427
Energy: 0.9105866719561088
Energy: 0.7745426177690712
Energy: 0.9105866719561088
Energy: 0.7745426177683569
Energy: 0.7430295706972344
Energy: 1.084390413599379
Energy: 0.7430295706986629
Energy: 1.0843904136036648
Energy: 0.7430295706958058
Energy: 1.0843904136015219
Energy: 1.3933159233236867
Energy: 0.9538538372360791
Energy: 1.3933159233236867
Energy: 0.9538538372353645
Energy: 1.3933159233236867
Energy: 0.9538538372353645

minimum gb energy = 0.7248761972505613 eV
minimum distance =  2.30961913805297 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.9779552487209441
Energy: 0.8440465712476287
Energy: 0.977955248720381
Energy: 0.8440465712476287
Energy: 0.977955248720381
Energy: 0.8440465712476287
Energy: 1.1063857305481382
Energy: 1.040175317296381
Energy: 1.1063857305481382
Energy: 1.0401753172969441
Energy: 1.1063857305475753
Energy: 1.040175317296381
Energy: 0.9677469699669136
Energy: 1.0011114480675758
Energy: 0.9677469699674766
Energy: 1.0011114480675758
Energy: 0.9677469699686025
Energy: 1.0011114480681387
Energy: 0.8994080606690248
Energy: 0.8359285260992935
Energy: 0.8994080606695878
Energy: 0.8359285260992935
Energy: 0.8994080606695878
Energy: 0.8359285260992935
Energy: 0.8180987948270646
Energy: 0.8815221886424197
Energy: 0.8180987948276276
Energy: 0.8815221886418567
Energy: 0.8180987948276276
Energy: 0.8815221886418567
Energy: 1.0726589841914538
Energy: 1.0523289141339132
Energy: 1.072658984190891
Energy: 1.0523289141333503
Energy: 1.0726589841914538
Energy: 1.0523289141327872
Energy: 0.8304569506123562
Energy: 1.1785510249948525
Energy: 0.8304569506129192
Energy: 1.1785510249937265
Energy: 0.8304569506129192
Energy: 1.1785510249942894
Energy: 0.8104811502461853
Energy: 0.8359521378510933
Energy: 0.8104811502467483
Energy: 0.8359521378510933
Energy: 0.8104811502461853
Energy: 0.8359521378510933
Energy: 0.8250645824014571
Energy: 0.8655803718212353
Energy: 0.8250645824025832
Energy: 0.8655803718212353
Energy: 0.8250645824020201
Energy: 0.8655803718206723
Energy: 0.8955028660672778
Energy: 0.9239983974655179
Energy: 0.8955028660678407
Energy: 0.9239983974672071
Energy: 0.8955028660678407
Energy: 0.9239983974666441
Energy: 0.8892383003376658
Energy: 0.9284970376636509
Energy: 0.8892383003382288
Energy: 0.9284970376630879
Energy: 0.8892383003376658
Energy: 0.9284970376630879
Energy: 0.7967926963074465
Energy: 1.0398385289232785
Energy: 0.7967926963080095
Energy: 1.0398385289232785
Energy: 0.7967926963080095
Energy: 1.0398385289232785
Energy: 0.8102609851290667
Energy: 0.8304216255783147
Energy: 0.8102609851279406
Energy: 0.8304216255783147
Energy: 0.8102609851285038
Energy: 0.8304216255783147
Energy: 0.7794950405836848
Energy: 0.9164839382093634
Energy: 0.7794950405831217
Energy: 0.9164839382076744
Energy: 0.7794950405842478
Energy: 0.9164839382093634
Energy: 1.0740283790030203
Energy: 1.0556349215361995
Energy: 1.0740283790024572
Energy: 1.0556349215361995
Energy: 1.0740283790035832
Energy: 1.0556349215361995
Energy: 0.7781181643457233
Energy: 1.0733553427812683
Energy: 0.7781181643462863
Energy: 1.1487985707723105
Energy: 0.7781181643451602
Energy: 1.0604919429206257
Energy: 0.8484737917883174
Energy: 0.8303185840262475
Energy: 0.8484737917888804
Energy: 0.8303185840268105
Energy: 0.8484737917883174
Energy: 0.8303185840262475
Energy: 0.8621436758993284
Energy: 1.0001744126432899
Energy: 0.8621436758993284
Energy: 1.0001744126438532
Energy: 0.8621436758982025
Energy: 1.000174412644416
Energy: 0.9179130178256859
Energy: 1.0417222986183892
Energy: 0.9179130178251229
Energy: 1.0417222986183892
Energy: 0.9179130178251229
Energy: 1.0417222986183892
Energy: 0.8885296662071361
Energy: 1.0570989870422836
Energy: 0.8885296662071361
Energy: 1.0185803153042927
Energy: 0.8885296662076991
Energy: 1.0570989870422836
Energy: 0.8267063260345187
Energy: 0.9108895311778248
Energy: 0.8267063260345187
Energy: 0.910889531172758
Energy: 0.8267063260345187
Energy: 0.910889531172195
Energy: 0.8647855791401237
Energy: 0.999431000889629
Energy: 0.8647855791412495
Energy: 0.999431000889066
Energy: 0.8647855791406867
Energy: 0.9994310008873769
Energy: 0.8984022814696757
Energy: 0.8295221145527277
Energy: 0.8984022814691128
Energy: 0.8295221145527277
Energy: 0.8984022814696757
Energy: 0.8295221145527277
Energy: 0.7782892065583095
Energy: 1.0711413937689265
Energy: 0.7782892065571836
Energy: 1.0711413937706151
Energy: 0.7782892065577465
Energy: 1.0711413937700525
Energy: 0.7868257865322763
Energy: 1.0714594821007755
Energy: 0.7868257865317133
Energy: 1.071459482119917
Energy: 0.7868257865317133
Energy: 1.0714594821114722
Energy: 0.828936783934735
Energy: 0.8805857963504001
Energy: 0.828936783934735
Energy: 0.9716210967098193
Energy: 0.828936783934735
Energy: 0.91818534748905
Energy: 0.8153735483235003
Energy: 0.8295213379112366
Energy: 0.8153735483246262
Energy: 0.8295213379112366
Energy: 0.8153735483240633
Energy: 0.8295213379112366
Energy: 0.8224639355347809
Energy: 0.9101200598710896
Energy: 0.8224639355359068
Energy: 0.9876777111114455
Energy: 0.8224639355353439
Energy: 0.9876777111136976
Energy: 0.8888321790843804
Energy: 1.0549492642085883
Energy: 0.8888321790849435
Energy: 1.0549492642080254
Energy: 0.8888321790843804
Energy: 1.0549492642085883
Energy: 0.9805030348774844
Energy: 0.8387545362647628
Energy: 0.9805030348493348
Energy: 0.929758643167217
Energy: 0.9805030348853662
Energy: 0.8726987579313135
Energy: 0.8005049791704621
Energy: 1.0150610258250996
Energy: 0.8005049791698992
Energy: 1.0150610258250996
Energy: 0.8005049791698992
Energy: 1.0150610258245365
Energy: 0.8359752431049653
Energy: 0.8639059032234992
Energy: 0.8359752431044023
Energy: 0.8639059032240621
Energy: 0.8359752431044023
Energy: 0.8639059032240621
Energy: 0.7858973143914907
Energy: 0.8602271652576042
Energy: 0.7858973143920537
Energy: 0.8602271652508482
Energy: 0.7858973143920537
Energy: 0.8602271652559151

minimum gb energy = 0.7781181643451602 eV
minimum distance =  2.32906090421888 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.0964861380868516
Energy: 0.9572084318166453
Energy: 1.0476882540993524
Energy: 0.9572084318162862
Energy: 1.0964861380872826
Energy: 0.9572084318123348
Energy: 1.2213910229018972
Energy: 0.9311694427760296
Energy: 1.2213910229034777
Energy: 0.9311694427764606
Energy: 1.221391022901538
Energy: 0.9311694427653975
Energy: 1.0076624998911285
Energy: 1.0147625051689693
Energy: 1.0076624998958699
Energy: 1.0147625051701905
Energy: 1.0076624998914878
Energy: 1.0147625051665985
Energy: 1.0414258258202929
Energy: 0.9611270607298987
Energy: 1.0414258258163416
Energy: 0.9611270607295395
Energy: 1.0414258258187123
Energy: 0.9611270607240079
Energy: 1.0053043212055697
Energy: 1.1461945552820552
Energy: 1.0053004831673036
Energy: 1.1461945552828454
Energy: 1.0053043212052106
Energy: 1.1461945552903168
Energy: 1.0239428099140808
Energy: 0.8827331660036463
Energy: 1.0239428099153023
Energy: 0.8827331660040774
Energy: 1.023942809914871
Energy: 0.8827331659985458
Energy: 0.9729027607584737
Energy: 0.9721334383608384
Energy: 0.9729027607553128
Energy: 0.9721334383608384
Energy: 0.9729027607576834
Energy: 0.9721334383632091
Energy: 0.9973253361772776
Energy: 1.1134930987841951
Energy: 0.997325336181588
Energy: 1.1134930987834049
Energy: 0.9973253361772776
Energy: 1.1134930987854161
Energy: 1.0814998483636566
Energy: 0.9514596289682349
Energy: 1.0816820906551974
Energy: 0.9514596289682349
Energy: 1.081499848364806
Energy: 0.9514596289639247
Energy: 1.0939897207195448
Energy: 0.9546254367160822
Energy: 1.0939897207187546
Energy: 0.9546254367160822
Energy: 1.0939897207187546
Energy: 0.9546254367140709
Energy: 1.032798916431566
Energy: 0.9280537015741027
Energy: 1.0327989164307758
Energy: 0.9280537015736717
Energy: 1.032798916431566
Energy: 0.9280537015717321
Energy: 1.1685718755500902
Energy: 0.9609416294040504
Energy: 1.1685718755516705
Energy: 0.9609416294040504
Energy: 1.1685718755524608
Energy: 0.9609416294091508
Energy: 0.9098662029497611
Energy: 1.0755825612190253
Energy: 0.9098662029466
Energy: 1.0755825612193848
Energy: 0.909866202950192
Energy: 1.0755825612237666
Energy: 1.0845507385885795
Energy: 1.0426373548729801
Energy: 1.0845532020347715
Energy: 1.0426373548737704
Energy: 1.0845507385885795
Energy: 1.0426373548769314
Energy: 1.071837672418747
Energy: 0.9174317661643816
Energy: 1.0718373380405979
Energy: 0.9174317661651717
Energy: 1.0718376724195373
Energy: 0.9174317661573413
Energy: 0.9309996874919382
Energy: 1.2278085405305477
Energy: 0.9309996874864066
Energy: 1.2278085405305477
Energy: 0.930999687491579
Energy: 1.2278085405253751
Energy: 1.0371490127366545
Energy: 0.9508421395779713
Energy: 1.037149012739025
Energy: 0.9508421395776119
Energy: 1.037149012735074
Energy: 0.9508421395724397
Energy: 0.9549257368066311
Energy: 1.017445377540287
Energy: 0.9549349568553209
Energy: 1.0174453775375574
Energy: 0.9549257368066311
Energy: 1.017445377533606
Energy: 1.0176703330162076
Energy: 0.9759010483007852
Energy: 1.0176703330205898
Energy: 0.9759010483020063
Energy: 1.0176703330162076
Energy: 0.9759010482996356
Energy: 1.0783365183883635
Energy: 0.9080472133288159
Energy: 1.0783365183859928
Energy: 0.9080472133299652
Energy: 1.0783365183887228
Energy: 0.9080472133181118
Energy: 0.9936996616562107
Energy: 1.0185687513375192
Energy: 0.993703179597719
Energy: 1.0185687513375192
Energy: 0.9936996616558516
Energy: 1.0185687513335682
Energy: 0.9250586032935402
Energy: 1.2569824113034003
Energy: 0.9253165518728318
Energy: 1.2569824113034003
Energy: 0.925058603293971
Energy: 1.256982411306561
Energy: 0.9438167506035254
Energy: 0.9361770983477158
Energy: 0.9438167506007238
Energy: 0.9361770983477158
Energy: 0.9438167506043156
Energy: 0.9361770983524571
Energy: 0.9692108392318018
Energy: 1.1903312669557176
Energy: 0.9692108392314427
Energy: 1.1903312669585193
Energy: 0.9692108392318018
Energy: 1.190331266947025
Energy: 1.054733260270168
Energy: 0.950800041836302
Energy: 1.054733260262625
Energy: 0.9508000418370922
Energy: 1.0547332602709583
Energy: 0.9508000418339313
Energy: 0.8790670725410317
Energy: 1.0179561480236157
Energy: 0.8790670725413908
Energy: 1.0179561480223944
Energy: 0.8790670725410317
Energy: 1.017956148017294
Energy: 0.978765514703647
Energy: 0.9769584110509577
Energy: 0.9787655147044372
Energy: 0.9769584110517479
Energy: 0.978765514703647
Energy: 0.9769584110521072
Energy: 1.066129466648747
Energy: 1.088192218184498
Energy: 1.0116280452307354
Energy: 1.0881922181848571
Energy: 1.066129466648747
Energy: 1.0881922181824863
Energy: 0.9500215914429476
Energy: 1.0422383407853792
Energy: 0.9500215914461085
Energy: 1.0422383408114564
Energy: 0.9500215914429476
Energy: 1.042238340805494
Energy: 0.9664803185341944
Energy: 1.0879923544967873
Energy: 0.9664803185373552
Energy: 1.087992354495566
Energy: 0.9664803185341944
Energy: 1.087992354495207
Energy: 0.8988292794949871
Energy: 0.9506361805950339
Energy: 0.898829279488306
Energy: 0.9506361805954648
Energy: 0.8988292794946278
Energy: 0.9506361805989849
Energy: 0.9694619046331034
Energy: 1.1434385432546337
Energy: 0.9694546835723126
Energy: 1.1434385432565735
Energy: 0.9694619046331034
Energy: 1.1434385432538434
Energy: 1.0138329733424307
Energy: 0.8945287069690963
Energy: 1.013832973345951
Energy: 0.8945287069686654
Energy: 1.0138329733416405
Energy: 0.8945287069805187
Energy: 1.0524642397689818
Energy: 1.0425976948693032
Energy: 1.0524642397689818
Energy: 1.0425976948681537
Energy: 1.0524642397689818
Energy: 1.0425976948752658
Energy: 0.922132836814135
Energy: 1.0424692823458144
Energy: 0.9221328368204568
Energy: 1.0424692823462456
Energy: 0.9221328368137759
Energy: 1.0424692823426536
Energy: 1.0074855806887657
Energy: 0.9196400417039589
Energy: 1.0077931681089425
Energy: 0.9196400417031686
Energy: 1.0074855806903462
Energy: 0.9196400417055394
Energy: 0.9508785945810441
Energy: 1.258174364403685
Energy: 0.9508785945802538
Energy: 1.258174364403685
Energy: 0.950878594580685
Energy: 1.2581743644092163
Energy: 1.1146852683383845
Energy: 0.9511935580773709
Energy: 1.114685268340396
Energy: 0.9511935580781611
Energy: 1.1146852683388155
Energy: 0.9511935580702588
Energy: 1.0348054573637626
Energy: 1.2811637149647472
Energy: 1.0348072237428834
Energy: 1.281163714963957
Energy: 1.0348054573637626
Energy: 1.2811637149592874
Energy: 0.9021171806475456
Energy: 1.0763765380939938
Energy: 0.9021171806400027
Energy: 1.076376538095143
Energy: 0.9021171806475456
Energy: 1.0763765381014647
Energy: 1.053207703870964
Energy: 0.9966480067778197
Energy: 1.0532046944166147
Energy: 0.9966480067781788
Energy: 1.0532077038713947
Energy: 0.9966480067765984
Energy: 1.1897399420710113
Energy: 0.9211056813755453
Energy: 1.1897399420618882
Energy: 0.9211056813755453
Energy: 1.1897399420710113
Energy: 0.9211056813798554
Energy: 0.9206937040391452
Energy: 0.9432800576102937
Energy: 0.9206937040446768
Energy: 0.9432800576114432
Energy: 0.9206937040387143
Energy: 0.9432800576221471
Energy: 1.0755035086654554
Energy: 0.9513317383622236
Energy: 1.0755035086532427
Energy: 0.9513317383618644
Energy: 1.0755035086619351
Energy: 0.9513317383630139
Energy: 0.9508523400072041
Energy: 1.1953512036892977
Energy: 0.950854216488627
Energy: 1.1953512036889387
Energy: 0.9508523400079943
Energy: 1.195351203700792
Energy: 0.9440104884335961
Energy: 0.9358575891388511
Energy: 0.9440104884328059
Energy: 0.9358575891396413
Energy: 0.944010488433237
Energy: 0.9358575891440233
Energy: 0.9249790078854605
Energy: 0.9832154228724306
Energy: 0.9249790078799288
Energy: 0.9832154228728616
Energy: 0.9249790078862508
Energy: 0.9832154228724306

minimum gb energy = 0.8790670725410317 eV
minimum distance =  2.32752203700725 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.984278199809083
Energy: 0.9421847921835298
Energy: 0.984278199809083
Energy: 0.9421847921835298
Energy: 0.984278199809083
Energy: 0.9421847921835298
Energy: 0.9531629308827992
Energy: 0.8924403749983817
Energy: 0.9531629308827992
Energy: 0.8924403749983817
Energy: 0.9531629308827992
Energy: 0.8924403750010224
Energy: 1.1582187474134316
Energy: 1.11065935134373
Energy: 1.3773950659618888
Energy: 1.11065935134373
Energy: 1.230877933544034
Energy: 1.11065935134373
Energy: 0.953162729753645
Energy: 0.8924746167768114
Energy: 0.9531627297562858
Energy: 0.8924746167768114
Energy: 0.9531627297562858
Energy: 0.8924746167768114
Energy: 0.984278199809083
Energy: 0.9421847921835298
Energy: 0.984278199809083
Energy: 0.9421847921835298
Energy: 0.984278199809083
Energy: 0.9421847921835298
Energy: 0.95316293088544
Energy: 0.892440375003663
Energy: 0.95316293088544
Energy: 0.892440375003663
Energy: 0.95316293088544
Energy: 0.892440375003663
Energy: 1.1582187474134316
Energy: 1.11065935134373
Energy: 1.3773950659618888
Energy: 1.11065935134373
Energy: 1.2308779335413933
Energy: 1.11065935134373

minimum gb energy = 0.8924403749983817 eV
minimum distance =  2.34043491549131 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.3122848808128549
Energy: 1.06117073295973
Energy: 1.3122848808128549
Energy: 1.06117073295973
Energy: 1.3122848808128549
Energy: 1.06117073295973
Energy: 1.075282806172009
Energy: 0.9985800150675739
Energy: 1.075282806172009
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Energy: 1.021067221760159
Energy: 1.1897058663431266
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Energy: 1.1897058663431266
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Energy: 1.0587518391094968
Energy: 1.1330565054130757
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Energy: 1.1330565054094823
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Energy: 1.0006468756538078
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Energy: 1.0006468756538078
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Energy: 1.0006468756538078
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Energy: 1.0723054430506866
Energy: 1.1091173094630662
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Energy: 1.1091173094595383
Energy: 1.0723054430506866
Energy: 1.1562209345591736
Energy: 1.0456516599200256
Energy: 1.1562209345591736
Energy: 1.045651659923619
Energy: 1.1562209345591736
Energy: 1.0456516599200256
Energy: 1.1104396125058251
Energy: 1.08221087825484
Energy: 1.1104396125094187
Energy: 1.0822108782584337
Energy: 1.1104396125058251
Energy: 1.0822108782584337
Energy: 1.1075662149510703
Energy: 1.0596175396790342
Energy: 1.1075662149510703
Energy: 1.0596175396790342
Energy: 1.1075662149510703
Energy: 1.0596175396790342
Energy: 1.0209133134718165
Energy: 1.1042081470540999
Energy: 1.020913313468223
Energy: 1.1042081470505065
Energy: 1.0209133134718165
Energy: 1.1042081470505065
Energy: 1.0857114760923383
Energy: 1.0886379662842294
Energy: 1.0857114760887447
Energy: 1.0886379662842294
Energy: 1.0857114760887447
Energy: 1.0886379662842294
Energy: 1.0720330594857095
Energy: 1.0703669888138623
Energy: 1.0720330594821157
Energy: 1.0703669888174556
Energy: 1.0720330594821157
Energy: 1.0703669888138623

minimum gb energy = 0.9970137273272162 eV
minimum distance =  2.30879011957703 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: 1.0921541288331071
Energy: 1.0803460908745726
Energy: 1.0921541288336003
Energy: 1.1463829893986208
Energy: 1.0921541288336003
Energy: 1.045595538322502
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Energy: 1.0455955383234883
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Energy: 1.0455955383220086
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Energy: 0.9727407185328024
Energy: 1.1698940576536812
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Energy: 0.9727407185303363
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Energy: 1.2231149130037564
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Energy: 0.9732379456109214
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Energy: 0.9732379456089933
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Energy: 0.9732379456104282
Energy: 1.3243350592482992
Energy: 1.012945092563444
Energy: 1.0492554281221564
Energy: 1.012945092561471
Energy: 1.0492554281221564
Energy: 1.012945092563937
Energy: 1.0492554281265951
Energy: 1.1016894092157088
Energy: 0.9711889229974323
Energy: 1.1016894092191614
Energy: 0.9711889229969389
Energy: 1.1016894092147225
Energy: 0.9711889229998981
Energy: 1.0227321946828003
Energy: 1.0491711424389816
Energy: 1.0241241470701108
Energy: 1.0491711424384884
Energy: 1.0227321946857146
Energy: 1.0491711424360226
Energy: 0.9732911686272291
Energy: 0.9968558181111022
Energy: 0.9732911686316676
Energy: 0.9968558181111022
Energy: 0.9732911686267357
Energy: 0.9968558181071567
Energy: 1.158237046208059
Energy: 1.159165889752521
Energy: 1.1582370462169365
Energy: 1.1591658897544939
Energy: 1.1582370462164433
Energy: 1.1591658897653443
Energy: 0.9753198921044987
Energy: 1.069712829268879
Energy: 0.9753198921054851
Energy: 1.069712829269372
Energy: 0.9753198921049919
Energy: 1.0697128292747524
Energy: 0.9710813700347983
Energy: 1.0237889346525544
Energy: 0.971081370033812
Energy: 1.0237889346525544
Energy: 0.9710813700347983
Energy: 1.0237889346491018
Energy: 0.9739970153586636
Energy: 0.9536249449927339
Energy: 0.9739970153586636
Energy: 0.9536249449917474
Energy: 0.9739970153581703
Energy: 0.953624944990761
Energy: 1.1690407619403096
Energy: 1.305517008774898
Energy: 1.1684738880531351
Energy: 1.3055170087734185
Energy: 1.1690407619398164
Energy: 1.305517008772925
Energy: 1.1961781942471332
Energy: 1.1512736336654679
Energy: 1.1961781942431877
Energy: 1.1512736336620155
Energy: 1.1961781942471332
Energy: 1.151273633660536
Energy: 1.0249180532536157
Energy: 1.0018362726013947
Energy: 1.0249180532541087
Energy: 1.0018362726018881
Energy: 1.0249180532536157
Energy: 1.001836272598929
Energy: 1.021337024762006
Energy: 0.9705197059360346
Energy: 1.0213370247649654
Energy: 0.9705197059360346
Energy: 1.021337024762006
Energy: 0.9705197059330753

minimum gb energy = 0.953624944990761 eV
minimum distance =  2.37851326275458 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.2604962513996223
Energy: 1.0267068503879089
Energy: 1.2604962513996223
Energy: 1.0267068503885148
Energy: 1.260496251400228
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Energy: 1.0976428775846694
Energy: 0.9980050292893892
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Energy: 1.1182106792765223
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Energy: 1.1173116865334325
Energy: 0.997396985351464
Energy: 1.1173116865346444
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Energy: 1.1173116865340385
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Energy: 1.1420825266791916
Energy: 1.049611054163516
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Energy: 1.049611054163516
Energy: 1.1420825266791916
Energy: 1.049611054163516
Energy: 1.1551812238868482
Energy: 1.0214169283210255
Energy: 1.1551812238874541
Energy: 1.0214169283216314
Energy: 1.1551812238868482
Energy: 1.0214169283216314
Energy: 1.1188245067135238
Energy: 1.1362192678139538
Energy: 1.1188245067123124
Energy: 1.1362192678139538
Energy: 1.1188245067123124
Energy: 1.136219267813348
Energy: 1.0531697814588348
Energy: 1.071857535398523
Energy: 1.0531697814582288
Energy: 1.071857535398523
Energy: 1.0531697814582288
Energy: 1.071857535398523
Energy: 1.1560302978391384
Energy: 1.1063677994894725
Energy: 1.1560302978391384
Energy: 1.1063677994894725
Energy: 1.1560302978397443
Energy: 1.1063677994900782
Energy: 0.9772391723540008
Energy: 1.119450853950255
Energy: 0.9772391723546067
Energy: 1.119450853950255
Energy: 0.9772391723540008
Energy: 1.119450853949649
Energy: 1.138753947787682
Energy: 1.0704322458682287
Energy: 1.1387539477882878
Energy: 1.0704322458682287
Energy: 1.138753947787682
Energy: 1.0704322458682287
Energy: 1.036631987297879
Energy: 1.0274341709942105
Energy: 1.036631987297879
Energy: 1.0274341709948165
Energy: 1.036631987297879
Energy: 1.0274341709948165
Energy: 1.1721364189732588
Energy: 1.0813605101950332
Energy: 1.1721364189732588
Energy: 1.081360510195639
Energy: 1.1721364189732588
Energy: 1.0813605101950332
Energy: 1.0796798198856818
Energy: 0.9976510912698003
Energy: 1.0796798198868935
Energy: 0.9976510912691947
Energy: 1.0796798198856818
Energy: 0.9976510912704063
Energy: 1.2157482169690652
Energy: 1.0324181254172462
Energy: 1.2157482169690652
Energy: 1.0324181254172462
Energy: 1.215748216969671
Energy: 1.0324181254172462
Energy: 1.0367044254582654
Energy: 1.083991944857833
Energy: 1.036704425458871
Energy: 1.083991944857833
Energy: 1.036704425458871
Energy: 1.083991944858439
Energy: 1.0894030344999381
Energy: 1.0795918359194174
Energy: 1.0894030344993324
Energy: 1.079591835918206
Energy: 1.089403034500544
Energy: 1.0795918359200234
Energy: 1.0344827603364046
Energy: 1.070341933772122
Energy: 1.0344827603364046
Energy: 1.070341933772122
Energy: 1.0344827603370106
Energy: 1.070341933772122

minimum gb energy = 0.9770074547617994 eV
minimum distance =  2.32957821907431 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.1345532654733643
Energy: 0.9846772792344829
Energy: 1.1345532654725798
Energy: 0.9846772792344829
Energy: 1.1345532654741488
Energy: 0.9846772792344829
Energy: 1.0458674144390898
Energy: 0.9349309733176193
Energy: 1.045867414439874
Energy: 0.934930973316835
Energy: 1.0458674144390898
Energy: 0.934930973316835
Energy: 1.1347533287367102
Energy: 1.163018559811798
Energy: 1.1347533287359257
Energy: 1.1630185598133667
Energy: 1.1347533287359257
Energy: 1.1630185598125822
Energy: 1.038387609916458
Energy: 1.073498065868056
Energy: 1.038387609916458
Energy: 1.073498065868056
Energy: 1.038387609916458
Energy: 1.073498065868056
Energy: 1.0482275592313228
Energy: 1.0720545915781996
Energy: 1.0482275592321073
Energy: 1.072054591577415
Energy: 1.0482275592321073
Energy: 1.0720545915781996
Energy: 1.1449104732183981
Energy: 1.0222143042014233
Energy: 1.1449104732191824
Energy: 1.0222143042022076
Energy: 1.1449104732183981
Energy: 1.0222143042022076
Energy: 1.0772728806661784
Energy: 1.161163798552287
Energy: 1.0772728806661784
Energy: 1.161163798552287
Energy: 1.0772728806661784
Energy: 1.161163798552287
Energy: 1.0385742328628085
Energy: 0.9867782229504884
Energy: 1.0385742328635932
Energy: 0.9867782229504884
Energy: 1.0385742328628085
Energy: 0.9867782229504884
Energy: 1.0410975917952394
Energy: 0.9348857895398653
Energy: 1.0410975917944552
Energy: 0.9348857895406496
Energy: 1.0410975917952394
Energy: 0.9348857895398653
Energy: 0.9380633743491639
Energy: 1.0207154042380353
Energy: 0.9380633743491639
Energy: 1.0207154042388196
Energy: 0.9380633743491639
Energy: 1.0207154042396038
Energy: 1.077710110707935
Energy: 1.0728265879333407
Energy: 1.0777101107055815
Energy: 1.0728265879341254
Energy: 1.0777101107071503
Energy: 1.0728265879333407
Energy: 1.043431753932044
Energy: 1.1200988779232517
Energy: 1.043431753932044
Energy: 1.1200988779224674
Energy: 1.0434317539312596
Energy: 1.1200988779224674
Energy: 1.0890223934400103
Energy: 0.9348783071511344
Energy: 1.0890223934400103
Energy: 0.9348783071511344
Energy: 1.0890223934407945
Energy: 0.9348783071511344
Energy: 1.039021171597904
Energy: 0.9435063203188976
Energy: 1.0390211716033948
Energy: 0.9435063203188976
Energy: 1.039021171604179
Energy: 0.9435063203188976
Energy: 1.0378167118496882
Energy: 0.9406829978319111
Energy: 1.0378167118504724
Energy: 0.9406829978311265
Energy: 1.037816711851257
Energy: 0.9406829978311265
Energy: 1.0414313356740459
Energy: 0.9921669589534718
Energy: 1.0414313356740459
Energy: 0.9921669589542562
Energy: 1.0414313356732616
Energy: 0.9921669589550405
Energy: 0.9357618727523458
Energy: 1.0453927681641149
Energy: 0.9357618727523458
Energy: 1.0453927681641149
Energy: 0.9357618727531302
Energy: 1.0453927681641149
Energy: 1.0742212497517931
Energy: 1.0877010488855143
Energy: 1.0742212497502246
Energy: 1.0877010488847298
Energy: 1.0742212497510086
Energy: 1.0877010488855143
Energy: 0.9354366442634173
Energy: 1.0453892349209903
Energy: 0.9354366442642019
Energy: 1.0453892349202059
Energy: 0.9354366442642019
Energy: 1.0453892349217748
Energy: 1.041504746942712
Energy: 0.9920678111731789
Energy: 1.041504746942712
Energy: 0.9920678111723945
Energy: 1.0415047469419276
Energy: 0.9920678111731789
Energy: 1.037804768115662
Energy: 0.9407335595316051
Energy: 1.0378047681148779
Energy: 0.9407335595323895
Energy: 1.037804768115662
Energy: 0.9407335595323895
Energy: 1.0390446563911346
Energy: 0.9942399043728652
Energy: 1.0390446563887816
Energy: 0.9942399043736495
Energy: 1.039044656389566
Energy: 0.9942399043728652
Energy: 1.0889492439680803
Energy: 0.9348171753440202
Energy: 1.0889492439665116
Energy: 0.9348171753455888
Energy: 1.0889492439680803
Energy: 0.9348171753432356
Energy: 1.0436543421208908
Energy: 1.1202708160269135
Energy: 1.043654342121675
Energy: 1.1202708160245605
Energy: 1.043654342121675
Energy: 1.120270816026129

minimum gb energy = 0.9348171753432356 eV
minimum distance =  2.35300559960826 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.0917372143287343
Energy: 0.9613798007379537
Energy: 1.0917372143287343
Energy: 0.9613798007379537
Energy: 1.0917372143287343
Energy: 0.9613798007379537
Energy: 0.9295647363261166
Energy: 0.9143470382328645
Energy: 0.9295647363272259
Energy: 0.9143470382328645
Energy: 0.9295647363272259
Energy: 0.9143470382328645
Energy: 1.045757959007752
Energy: 1.084688580250314
Energy: 1.045757959007752
Energy: 1.0846885802514232
Energy: 1.045757959007752
Energy: 1.0846885802492046
Energy: 0.8714408238567384
Energy: 1.0455972818629748
Energy: 0.8714408238567384
Energy: 1.0455972818629748
Energy: 0.8714408238567384
Energy: 1.0455972818629748
Energy: 1.0612511877566366
Energy: 1.0087723608132941
Energy: 1.0612511877566366
Energy: 1.0087723608132941
Energy: 1.0612511877566366
Energy: 1.0087723608121848
Energy: 0.9723646394338327
Energy: 1.053832151420127
Energy: 0.9723646394338327
Energy: 1.0538321514234548
Energy: 0.9723646394338327
Energy: 1.053832151420127
Energy: 1.0214541396097967
Energy: 0.9343895093657637
Energy: 1.0214541396097967
Energy: 0.9343895093657637
Energy: 1.0214541396097967
Energy: 0.9343895093668731
Energy: 0.8717034370029494
Energy: 1.036808913427615
Energy: 0.8717034370007308
Energy: 1.0368089134253964
Energy: 0.8717034370029494
Energy: 1.0368089134265057
Energy: 1.016747965010714
Energy: 0.9151095207812622
Energy: 1.016747965010714
Energy: 0.9151095207823713
Energy: 1.016747965010714
Energy: 0.9151095207823713
Energy: 0.990512375923824
Energy: 0.9308188995724015
Energy: 0.990512375923824
Energy: 0.9308188995724015
Energy: 0.990512375923824
Energy: 0.9308188995724015
Energy: 0.9736155636333064
Energy: 0.9598031236815512
Energy: 0.9736155636333064
Energy: 0.9598031236804417
Energy: 0.9736155636333064
Energy: 0.9598031236815512
Energy: 0.9985535598123384
Energy: 0.915923175000109
Energy: 0.9985535598112293
Energy: 0.915923175000109
Energy: 0.9985535598123384
Energy: 0.915923175000109
Energy: 0.8708136875089622
Energy: 1.0588217492772374
Energy: 0.8708136875089622
Energy: 1.0588217492772374
Energy: 0.8708136875089622
Energy: 1.0588217492772374
Energy: 0.990028039987763
Energy: 1.0348307015641953
Energy: 0.9900280399888723
Energy: 1.0348307015641953
Energy: 0.9900280399888723
Energy: 1.0348307015653047
Energy: 0.9710861408973569
Energy: 0.9386114082692385
Energy: 0.9710861408973569
Energy: 0.9386160060639258
Energy: 0.9710861408962476
Energy: 0.9386115288421157
Energy: 0.9715799581559151
Energy: 1.0630318867234756
Energy: 0.9715799581548058
Energy: 1.0630318867234756
Energy: 0.9715799581570245
Energy: 1.0630318867234756
Energy: 0.9878179225867816
Energy: 1.0345944133229585
Energy: 0.9878179225867816
Energy: 1.0345944133240679
Energy: 0.9878179225867816
Energy: 1.0345944133229585

minimum gb energy = 0.8708136875089622 eV
minimum distance =  2.30984899377664 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.9921830388874262
Energy: 0.8881885459304646
Energy: 0.9921830388887113
Energy: 0.8881885459308929
Energy: 0.9921830388878544
Energy: 0.8881885459304646
Energy: 0.8967831361757664
Energy: 0.8518364742972803
Energy: 0.8967831361757664
Energy: 0.8518364742977087
Energy: 0.896783136176195
Energy: 0.8518364742968519
Energy: 0.9726816014178296
Energy: 0.9386932314342621
Energy: 0.9726816014169726
Energy: 0.9386932314342621
Energy: 0.9726816014178296
Energy: 0.9386932314342621
Energy: 0.8231116750043584
Energy: 0.9163553520654956
Energy: 0.823111675006072
Energy: 0.9163553520663522
Energy: 0.8231116750043584
Energy: 0.916355352065067
Energy: 1.0177227551245074
Energy: 0.8503139988462041
Energy: 1.0177227551245074
Energy: 0.8503139988453474
Energy: 1.0177227551236505
Energy: 0.8503139988453474
Energy: 0.9336351323202388
Energy: 0.8653325505465287
Energy: 0.9336351323206671
Energy: 0.8653325505465287
Energy: 0.9336351323198104
Energy: 0.8653325505465287
Energy: 0.8976949023314933
Energy: 0.884446934050042
Energy: 0.8976949023306366
Energy: 0.8844469340479002
Energy: 0.8976949023362055
Energy: 0.8844469340504704
Energy: 0.8981053745627918
Energy: 0.9921387829628358
Energy: 0.8981053745567945
Energy: 0.9921387829632643
Energy: 0.898105374558508
Energy: 0.9921387829632643
Energy: 0.9216572287662759
Energy: 0.9444492339310689
Energy: 0.9216572287662759
Energy: 0.9444492339306405
Energy: 0.9216572287628488
Energy: 0.9444492339310689
Energy: 0.9025447093651788
Energy: 0.8121747118020904
Energy: 0.9025447093703193
Energy: 0.8121747118025188
Energy: 0.9025447093673206
Energy: 0.812174711801662
Energy: 0.8233606894660808
Energy: 0.9726967924900318
Energy: 0.8233606894643672
Energy: 0.9726967924934588
Energy: 0.8233606894665092
Energy: 0.9726967924866049
Energy: 0.9752588008558366
Energy: 0.8683712833064678
Energy: 0.975258800856265
Energy: 0.8683712833068963
Energy: 0.9752588008554084
Energy: 0.8683712833064678
Energy: 0.9106456232535448
Energy: 0.8741973792602417
Energy: 0.9106456232544016
Energy: 0.8741973792598133
Energy: 0.9106456232526882
Energy: 0.8741973792602417
Energy: 0.8941924809717494
Energy: 0.9806228052260756
Energy: 0.8941924809704642
Energy: 0.9806228052260756
Energy: 0.8941924809717494
Energy: 0.9806228052260756
Energy: 0.9486431604143518
Energy: 0.9689989597821485
Energy: 0.948643160415637
Energy: 0.9689989597812918
Energy: 0.9486431604130667
Energy: 0.9689989597812918
Energy: 0.821909480636016
Energy: 0.9676644495842794
Energy: 0.821909480636016
Energy: 0.9676644495855646
Energy: 0.821909480634731
Energy: 0.9676644495842794
Energy: 0.909163239014176
Energy: 0.9174616158330664
Energy: 0.909163239015461
Energy: 0.9174616158330664
Energy: 0.9091632390133191
Energy: 0.917461615832638
Energy: 0.9290651598907649
Energy: 0.9471169522005639
Energy: 0.9290651598873378
Energy: 0.9471169522031342
Energy: 0.9290651598881947
Energy: 0.9471169522117018
Energy: 0.8979433176832178
Energy: 0.9322024338417654
Energy: 0.8979433176836462
Energy: 0.9322024338456207
Energy: 0.8979433176857881
Energy: 0.9322024338349115
Energy: 0.907801381332264
Energy: 0.9150396603091023
Energy: 0.9078013813331206
Energy: 0.9150396603091023
Energy: 0.9078013813339774
Energy: 0.9291118179738028
Energy: 0.8980015853064787
Energy: 0.935761376640925
Energy: 0.8980015853060503
Energy: 0.9357613766430668
Energy: 0.8980015853064787
Energy: 0.9357613766400682
Energy: 0.9286408690855403
Energy: 0.9473765558591196
Energy: 0.9286408690876821
Energy: 0.9473765558561212
Energy: 0.9286408690859685
Energy: 0.9473765558591196
Energy: 0.9088896474362349
Energy: 0.9172226271950827
Energy: 0.9088896474362349
Energy: 0.9172226271950827
Energy: 0.9088896474366635
Energy: 0.9172226271950827
Energy: 0.8220480908056111
Energy: 1.0016830995523218
Energy: 0.8220480908056111
Energy: 1.0016830995553205
Energy: 0.8220480908064679
Energy: 1.0016830995527501
Energy: 0.9483274391512447
Energy: 0.9673062266807881
Energy: 0.9483274391508165
Energy: 0.9673062266880704
Energy: 0.9483274391521016
Energy: 0.9673062266825015
Energy: 0.8939701502341556
Energy: 0.9808911898559827
Energy: 0.8939701502341556
Energy: 0.9808911898564111
Energy: 0.8939701502350124
Energy: 0.9808911898559827
Energy: 0.9097388209803203
Energy: 0.8742885724585266
Energy: 0.9097388209798919
Energy: 0.8742885724585266
Energy: 0.9097388209803203
Energy: 0.8742885724585266
Energy: 0.9752606973129248
Energy: 0.8684007595674945
Energy: 0.9752606973112113
Energy: 0.8684007595674945
Energy: 0.9752606973142098
Energy: 0.8684007595679228
Energy: 0.8233550214692991
Energy: 0.9730477240336408
Energy: 0.8233550214710125
Energy: 0.9730477240340694
Energy: 0.8233550214697274
Energy: 0.9730477240340694
Energy: 0.9009967316954358
Energy: 0.9751790766824202
Energy: 0.9009967316950075
Energy: 0.9751790766819918
Energy: 0.9009967316962926
Energy: 0.9751790766828484
Energy: 0.9217453787712604
Energy: 0.944255539928921
Energy: 0.9217453787708321
Energy: 0.9442555399293494
Energy: 0.9217453787716888
Energy: 0.9442555399306345
Energy: 0.8977439045259504
Energy: 0.9923508081454675
Energy: 0.8977439045246652
Energy: 0.9923508081450393
Energy: 0.8977439045246652
Energy: 0.9923508081463244
Energy: 0.8983046062180231
Energy: 0.8846105576082234
Energy: 0.8983046062184515
Energy: 0.8846105576107937
Energy: 0.8983046062137394
Energy: 0.8846105576090803
Energy: 0.9333388947585645
Energy: 0.8706775421979928
Energy: 0.9333388947598495
Energy: 0.8706775421979928
Energy: 0.9333388947598495
Energy: 0.8706775421979928
Energy: 1.017786660698609
Energy: 0.8515291628005025
Energy: 1.0177866607011792
Energy: 0.8515291628000742
Energy: 1.0177866607007506
Energy: 0.8515291628000742
Energy: 0.8233351096792748
Energy: 0.9162951939317688
Energy: 0.8233351096797032
Energy: 0.9162951939321973
Energy: 0.8233351096805599
Energy: 0.9162951939321973
Energy: 0.9729694910212708
Energy: 0.9383105448429657
Energy: 0.9729694910208423
Energy: 0.9383105448429657
Energy: 0.9729694910208423
Energy: 0.9383105448429657
Energy: 0.8967580648951836
Energy: 0.856256013940956
Energy: 0.8967580648956122
Energy: 0.8562560139405275
Energy: 0.8967580648968971
Energy: 0.856256013940956
Energy: 0.9921830388887113
Energy: 0.8881885459343198
Energy: 0.9921830388887113
Energy: 0.8881885459338915
Energy: 0.9921830388887113
Energy: 0.8881885459338915
Energy: 0.8967831361684842
Energy: 0.8518364742951384
Energy: 0.8967831361714829
Energy: 0.8518364742951384
Energy: 0.8967831361701978
Energy: 0.8518364742951384
Energy: 0.9726816014191146
Energy: 0.9386932314381174
Energy: 0.9726816014174011
Energy: 0.938693231437689
Energy: 0.9726816014186861
Energy: 0.9386932314381174
Energy: 0.8231116750043584
Energy: 0.9409355581157811
Energy: 0.8231116750047868
Energy: 0.9409355581157811
Energy: 0.8231116750035017
Energy: 0.9409355581149241
Energy: 1.017722755125364
Energy: 0.8503139988453474
Energy: 1.017722755125364
Energy: 0.8503139988466323
Energy: 1.0177227551240788
Energy: 0.8503139988466323

minimum gb energy = 0.812174711801662 eV
minimum distance =  2.32832011940664 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.9145841379311416
Energy: 0.8228863652853436
Energy: 0.914584137929049
Energy: 0.8228863652853436
Energy: 0.9145841379304441
Energy: 0.8228863652846461
Energy: 0.9378394639851583
Energy: 0.8064606153220617
Energy: 0.9378394639816707
Energy: 0.8064606153220617
Energy: 0.9378394639837633
Energy: 0.8064606153227593
Energy: 0.918429326262434
Energy: 0.8752399593587058
Energy: 0.918429326261039
Energy: 0.8752399593580084
Energy: 0.918429326262434
Energy: 0.8752399593580084
Energy: 0.777971816750791
Energy: 0.888586763261283
Energy: 0.7779717966859053
Energy: 0.888586763261283
Energy: 0.7779717946215184
Energy: 0.888586763261283
Energy: 0.9327708879539611
Energy: 0.7582771485767655
Energy: 0.9327708879518687
Energy: 0.7582771485795555
Energy: 0.9327708879532637
Energy: 0.758277148578858
Energy: 0.8778464086733772
Energy: 0.8074622268452606
Energy: 0.8778464086740747
Energy: 0.8074622268452606
Energy: 0.8778464086740747
Energy: 0.8074622268452606
Energy: 0.7724864255865059
Energy: 0.8520583286547516
Energy: 0.7724864255802285
Energy: 0.8520583286526594
Energy: 0.7724864255837159
Energy: 0.8520583286526594
Energy: 1.0439053178151556
Energy: 0.8411875319902187
Energy: 1.0439053178165503
Energy: 0.8411875319909162
Energy: 1.0439053178151556
Energy: 0.8411875319909162
Energy: 0.8134819227826094
Energy: 0.8101599294526195
Energy: 0.8134819227812145
Energy: 0.8101599294533169
Energy: 0.8134819227812145
Energy: 0.8101599294526195
Energy: 0.8304123729484837
Energy: 0.8256860561149375
Energy: 0.8304123729470887
Energy: 0.8256860561149375
Energy: 0.8304123729442987
Energy: 0.8256860561149375
Energy: 0.7722219964232453
Energy: 0.9250272733717375
Energy: 0.7722219964239427
Energy: 0.9250272733703425
Energy: 0.7722219964232453
Energy: 0.92502727337104
Energy: 0.8443763400793245
Energy: 0.7801583141203088
Energy: 0.844376340077232
Energy: 0.7801583141237963
Energy: 0.8443763400779295
Energy: 0.7801583141230989
Energy: 0.8274626917783704
Energy: 0.9285033928537219
Energy: 0.8274626917769754
Energy: 0.9285033928537219
Energy: 0.8274626917790678
Energy: 0.9285033928537219
Energy: 0.7785900305937127
Energy: 0.9647807511586675
Energy: 0.7785900305930151
Energy: 0.964780751159365
Energy: 0.7785900305930151
Energy: 0.9647807511586675
Energy: 0.9077152139998959
Energy: 0.8171247307431745
Energy: 0.9077152139971059
Energy: 0.8171247307431745
Energy: 0.9077152139991983
Energy: 0.817124730742477
Energy: 0.8248337820269696
Energy: 0.8251794328955897
Energy: 0.8248337820269696
Energy: 0.8251794328948923
Energy: 0.8248337820262721
Energy: 0.8251794328969847
Energy: 0.8353703271338119
Energy: 0.9368626635161601
Energy: 0.8353703271303244
Energy: 0.9368626635161601
Energy: 0.8353703271331144
Energy: 0.9368626635161601
Energy: 0.8796920042072814
Energy: 0.9035545301680173
Energy: 0.879692004207979
Energy: 0.9035545301694123
Energy: 0.8796920042086764
Energy: 0.9035545301666223
Energy: 0.779948429384122
Energy: 0.9803087008450018
Energy: 0.779948429382727
Energy: 0.9803087008443042
Energy: 0.7799484293834245
Energy: 0.9803087008450018
Energy: 0.7791824571771974
Energy: 0.8789478677541719
Energy: 0.7791824571758024
Energy: 0.8789478677541719
Energy: 0.7791824571744074
Energy: 0.8789478677541719
Energy: 0.8618860928464825
Energy: 0.8778722621790406
Energy: 0.8618860928499699
Energy: 0.8778722621804355
Energy: 0.8618860928478775
Energy: 0.8778722621797379
Energy: 0.7700634030810221
Energy: 0.986782428445759
Energy: 0.7700634030817196
Energy: 0.9867824284450615
Energy: 0.7700634030817196
Energy: 0.986782428445759
Energy: 0.8452504348883112
Energy: 0.8443766063001862
Energy: 0.8452504348883112
Energy: 0.8443766062994887
Energy: 0.8452504348876136
Energy: 0.8443766062994887
Energy: 0.8355360812773608
Energy: 0.9858040756333081
Energy: 0.8355360812752683
Energy: 0.9858040756333081
Energy: 0.8355360812752683
Energy: 0.9858040756326106
Energy: 0.8372900418587581
Energy: 1.0501042126889155
Energy: 0.8372900418580607
Energy: 1.0501042126889155
Energy: 0.8372900418559681
Energy: 1.0501042126889155
Energy: 0.8243310227009917
Energy: 0.8441175619512159
Energy: 0.8243310226995968
Energy: 0.8441175619512159
Energy: 0.8243310227009917
Energy: 0.8441175619512159
Energy: 0.7845996386699339
Energy: 0.979539465617393
Energy: 0.7845996386685389
Energy: 0.979539465617393
Energy: 0.784599638671329
Energy: 0.979539465617393

minimum gb energy = 0.7582771485767655 eV
minimum distance =  2.29197391823856 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.7773335560484119
Energy: 0.7457820254525547
Energy: 0.7773335560489201
Energy: 0.7457820254520464
Energy: 0.7773335560479038
Energy: 0.7457820254525547
Energy: 0.8176650514954521
Energy: 0.7484450239950957
Energy: 0.8176650514954521
Energy: 0.7484450239950957
Energy: 0.8176650514944357
Energy: 0.7484450239950957
Energy: 0.8032365507067126
Energy: 0.7534824935990704
Energy: 0.8032365507072208
Energy: 0.7534824935980541
Energy: 0.8032365507067126
Energy: 0.7534824935975459
Energy: 0.845522828295828
Energy: 0.7723202318745039
Energy: 0.8455228282968442
Energy: 0.7723202318745039
Energy: 0.8455228282973525
Energy: 0.7723202318750122
Energy: 0.8135745686409713
Energy: 0.7167383019566067
Energy: 0.8135745686424959
Energy: 0.7167383019560986
Energy: 0.8135745686419878
Energy: 0.7167383019566067
Energy: 0.7615906382693363
Energy: 0.7261454189782737
Energy: 0.7615906382698444
Energy: 0.7261454189777656
Energy: 0.7615906382693363
Energy: 0.7261454189777656
Energy: 0.6874970073006496
Energy: 0.7444943548734705
Energy: 0.6874970073006496
Energy: 0.7444943548734705
Energy: 0.6874970073011578
Energy: 0.7444943548734705
Energy: 0.8028929991632155
Energy: 0.7106505637455915
Energy: 0.8028929991637237
Energy: 0.7106505637450833
Energy: 0.8028929991632155
Energy: 0.7106505637455915
Energy: 0.7277508334343751
Energy: 0.7190200035782056
Energy: 0.7277508334343751
Energy: 0.7190200035782056
Energy: 0.7277508334343751
Energy: 0.7190200035776975
Energy: 0.8178230247530831
Energy: 0.7112512681840739
Energy: 0.8178230247535914
Energy: 0.7112512681840739
Energy: 0.8178230247530831
Energy: 0.7112512681840739
Energy: 0.8790210272597606
Energy: 0.7902655634271962
Energy: 0.8790210272597606
Energy: 0.7902655634271962
Energy: 0.8790210272597606
Energy: 0.7902655634271962
Energy: 0.6942595065061145
Energy: 0.7209751760883599
Energy: 0.6942595065056064
Energy: 0.7209751760878518
Energy: 0.6942595065050983
Energy: 0.7209751760873435
Energy: 0.8159242436722866
Energy: 0.6824976324304268
Energy: 0.8159242436727948
Energy: 0.682497632430935
Energy: 0.8159242436733029
Energy: 0.682497632430935
Energy: 0.8868647130059589
Energy: 0.8717411401707827
Energy: 0.8868647130049425
Energy: 0.8717411401707827
Energy: 0.8868647130054509
Energy: 0.8717411401707827
Energy: 0.7139408505274012
Energy: 0.7167575910458317
Energy: 0.7139408505274012
Energy: 0.7167575910463398
Energy: 0.7139408505263849
Energy: 0.7167575910458317
Energy: 0.7582172944061629
Energy: 0.7530446542988577
Energy: 0.7582172944071793
Energy: 0.7530446542988577
Energy: 0.7582172944066712
Energy: 0.7530446542983494
Energy: 0.8933525549417304
Energy: 0.8655895682211804
Energy: 0.8933525549417304
Energy: 0.8655895682216886
Energy: 0.8933525549417304
Energy: 0.8655895682221967
Energy: 0.731970563370727
Energy: 0.7182825449075944
Energy: 0.7319705633702188
Energy: 0.7182825449086109
Energy: 0.731970563370727
Energy: 0.7182825449081026
Energy: 0.7283819413172322
Energy: 0.812997851043443
Energy: 0.7283819413157077
Energy: 0.812997851043443
Energy: 0.7283819413157077
Energy: 0.812997851043443
Energy: 0.7563531341508486
Energy: 0.794443627537022
Energy: 0.7563531341508486
Energy: 0.7944436275365138
Energy: 0.7563531341513569
Energy: 0.7944436275365138
Energy: 0.7946724043856586
Energy: 0.7259970759503721
Energy: 0.7946724043851503
Energy: 0.7259970759503721
Energy: 0.7946724043861667
Energy: 0.725997075949864
Energy: 0.7463931242956544
Energy: 0.8087835378999134
Energy: 0.746393124292097
Energy: 0.8087835379004216
Energy: 0.7463931242941299
Energy: 0.8087835378999134
Energy: 0.7696281435728155
Energy: 0.8107092475324396
Energy: 0.7696281435738319
Energy: 0.8107092475329478
Energy: 0.7696281435763729
Energy: 0.8107092475319314
Energy: 0.7748452352300876
Energy: 0.7503148802619091
Energy: 0.7748452352311039
Energy: 0.7503148802624172
Energy: 0.7748452352316122
Energy: 0.7503148802624172
Energy: 0.7139631071910117
Energy: 0.795031769479911
Energy: 0.7139631071910117
Energy: 0.7950317694804192
Energy: 0.7139631071910117
Energy: 0.795031769479911
Energy: 0.7104253597523832
Energy: 0.7726756741675146
Energy: 0.7104253597533997
Energy: 0.7726756741670063
Energy: 0.7104253597528914
Energy: 0.7726756741675146
Energy: 0.7762385969351423
Energy: 0.7070623949961166
Energy: 0.7762385969361587
Energy: 0.7070623949961166
Energy: 0.776238596934634
Energy: 0.7070623949961166
Energy: 0.6913358170284544
Energy: 0.7936004952769382
Energy: 0.6913358170284544
Energy: 0.7936004952764301
Energy: 0.691335817027438
Energy: 0.7936004952759219
Energy: 0.7100002045793516
Energy: 0.7250137489640424
Energy: 0.7100002045788435
Energy: 0.7250137489640424
Energy: 0.7100002045793516
Energy: 0.7250137489640424
Energy: 0.7083874572927523
Energy: 0.8917207503305505
Energy: 0.7083874572907195
Energy: 0.8917207503305505
Energy: 0.7083874572907195
Energy: 0.8917207503305505
Energy: 0.6923501503092698
Energy: 0.7903058383664348
Energy: 0.6923501503087615
Energy: 0.7903058383669429
Energy: 0.692350150309778
Energy: 0.7903058383664348
Energy: 0.7106528997899736
Energy: 0.7064880528071256
Energy: 0.7106528997899736
Energy: 0.7064880528071256
Energy: 0.7106528997904817
Energy: 0.7064880528076337
Energy: 0.6894797704894828
Energy: 0.7952157547266003
Energy: 0.6894797704894828
Energy: 0.7952157547266003
Energy: 0.6894797704884664
Energy: 0.7952157547266003
Energy: 0.8808162009977704
Energy: 0.8884879037535491
Energy: 0.8808162009972621
Energy: 0.8884879037540575
Energy: 0.8808162009982784
Energy: 0.8884879037540575
Energy: 0.7120486327022646
Energy: 0.687876629263836
Energy: 0.7120486327012482
Energy: 0.687876629263836
Energy: 0.7120486327012482
Energy: 0.687876629263836
Energy: 0.643711699489864
Energy: 0.7928994132285977
Energy: 0.6437116994903721
Energy: 0.7928994132285977
Energy: 0.6437116994903721
Energy: 0.792899413229614

minimum gb energy = 0.643711699489864 eV
minimum distance =  2.27891988316446 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.5500154210693521
Energy: 0.050018275315901944
Energy: 0.5500154210712194
Energy: 0.050018275314034716
Energy: 0.5500154210712194
Energy: 0.050018275315901944
Energy: 0.5499792923744109
Energy: 0.04985677828726979
Energy: 0.5499792923744109
Energy: 0.04985677828726979
Energy: 0.5499792923725436
Energy: 0.04985677828726979
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.5500154210693521
Energy: 0.05001827531216749
Energy: 0.5500154210712194
Energy: 0.05001827531216749
Energy: 0.5500154210693521
Energy: 0.050018275314034716
Energy: 0.5499792923744109
Energy: 0.04985677829100426
Energy: 0.5499792923744109
Energy: 0.04985677829100426
Energy: 0.5499792923744109
Energy: 0.04985677829100426
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.5500154210712194
Energy: 0.05001827531216749
Energy: 0.5500154210693521
Energy: 0.050018275314034716
Energy: 0.5500154210712194
Energy: 0.05001827531216749
Energy: 0.5499792923725436
Energy: 0.04985677828913703
Energy: 0.5499792923725436
Energy: 0.04985677828913703
Energy: 0.5499792923744109
Energy: 0.04985677829100426
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054

minimum gb energy = 0.04869103916443126 eV
minimum distance =  2.46498099591628 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.828458670472973
Energy: 0.680021017104353
Energy: 0.8284586704735316
Energy: 0.680021017104353
Energy: 0.828458670472973
Energy: 0.680021017104353
Energy: 0.6930821971417401
Energy: 0.7020426576458227
Energy: 0.6930821971417401
Energy: 0.7020426576458227
Energy: 0.6930821971417401
Energy: 0.7020426576458227
Energy: 0.728979445295755
Energy: 0.6955106716032365
Energy: 0.728979445295755
Energy: 0.6955106716032365
Energy: 0.728979445295755
Energy: 0.6955106716032365
Energy: 0.7740593499226907
Energy: 0.6741428384586097
Energy: 0.7740593499226907
Energy: 0.6741428384586097
Energy: 0.7740593499221318
Energy: 0.6741428384586097
Energy: 0.5949092965757383
Energy: 0.7012049553082513
Energy: 0.5949092965757383
Energy: 0.7012049553076926
Energy: 0.5949092965762971
Energy: 0.7012049553082513
Energy: 0.7207295897619225
Energy: 0.7278451819712612
Energy: 0.7207295897624812
Energy: 0.7278451819712612
Energy: 0.7207295897613637
Energy: 0.7278451819712612
Energy: 0.7251055411802867
Energy: 0.7006333220301523
Energy: 0.7251055411808455
Energy: 0.7006333220290346
Energy: 0.7251055411808455
Energy: 0.7006333220290346
Energy: 0.5912151533855502
Energy: 0.7006402514057476
Energy: 0.591215153386109
Energy: 0.7006402514063064
Energy: 0.5912151533866677
Energy: 0.7006402514063064
Energy: 0.7332100968101476
Energy: 0.7344923497527293
Energy: 0.7332100968107063
Energy: 0.7344923497521705
Energy: 0.7332100968107063
Energy: 0.7344923497527293
Energy: 0.6808011496353173
Energy: 0.6403604339119277
Energy: 0.6808011496347586
Energy: 0.640360433911369
Energy: 0.6808011496347586
Energy: 0.6403604339124864
Energy: 0.6316919580491902
Energy: 0.6907690359006818
Energy: 0.6316919580491902
Energy: 0.6907690359006818
Energy: 0.6316919580491902
Energy: 0.6907690359006818
Energy: 0.7538979354193066
Energy: 0.763023514284399
Energy: 0.7538979354193066
Energy: 0.7630235142849577
Energy: 0.7538979354198654
Energy: 0.7630235142849577
Energy: 0.7017077819015102
Energy: 0.6057952903123702
Energy: 0.7017077819009515
Energy: 0.6057952903134878
Energy: 0.7017077819020691
Energy: 0.6057952903134878
Energy: 0.6602309333481389
Energy: 0.7523639717557892
Energy: 0.66023093334758
Energy: 0.7523639717557892
Energy: 0.6602309333481389
Energy: 0.7523639717557892
Energy: 0.7255829717917128
Energy: 0.7439468564414401
Energy: 0.725582971791154
Energy: 0.7439468564425576
Energy: 0.725582971791154
Energy: 0.7439468564419989
Energy: 0.6982854798488125
Energy: 0.5945332060047195
Energy: 0.6982854798482538
Energy: 0.594533206005837
Energy: 0.6982854798493714
Energy: 0.5945332060052783
Energy: 0.6953966054657579
Energy: 0.7720645796681898
Energy: 0.6953966054651991
Energy: 0.7720645796681898
Energy: 0.6953966054657579
Energy: 0.7720645796687485
Energy: 0.7039109577773505
Energy: 0.7045050177301768
Energy: 0.7039109577779092
Energy: 0.7045050177285512
Energy: 0.7039109577773505
Energy: 0.7045050177296179
Energy: 0.7265793262662201
Energy: 0.6861476666880971
Energy: 0.7265793262662201
Energy: 0.6861476666886559
Energy: 0.7265793262656614
Energy: 0.6861476666886559
Energy: 0.6793250411956503
Energy: 0.8073474848422442
Energy: 0.6793250411956503
Energy: 0.8073474848422442
Energy: 0.6793250411956503
Energy: 0.8073474848422442
Energy: 0.7239944792388345
Energy: 0.6953821902537295
Energy: 0.7239944792399521
Energy: 0.6953821902537295
Energy: 0.7239944792393933
Energy: 0.6953821902531707
Energy: 0.7135700306368339
Energy: 0.6878076755668799
Energy: 0.7135700306368339
Energy: 0.6878076755674387
Energy: 0.7135700306368339
Energy: 0.6878076755668799
Energy: 0.7002530831690915
Energy: 0.7184815790933097
Energy: 0.7002530831685327
Energy: 0.7184815790927509
Energy: 0.7002530831690915
Energy: 0.7184815790927509
Energy: 0.7156172066525038
Energy: 0.6751304774558547
Energy: 0.7156172066536214
Energy: 0.675130477455296
Energy: 0.7156172066525038
Energy: 0.6751304774558547
Energy: 0.7280114048156464
Energy: 0.7198837631424876
Energy: 0.7280114048150876
Energy: 0.7198837631424876
Energy: 0.7280114048150876
Energy: 0.7198837631419288
Energy: 0.6813945982811477
Energy: 0.7299674138577588
Energy: 0.6813945982805889
Energy: 0.7299674138577588
Energy: 0.6813945982817065
Energy: 0.7299674138583175
Energy: 0.7887706825819396
Energy: 0.5889515800491202
Energy: 0.7887706825824984
Energy: 0.5889515800480027
Energy: 0.7887706825824984
Energy: 0.5889515800491202
Energy: 0.726223549587234
Energy: 0.7405997899896366
Energy: 0.7262235495877927
Energy: 0.7405997899890778
Energy: 0.726223549587234
Energy: 0.7405997899896366
Energy: 0.6639287255589142
Energy: 0.700894175846975
Energy: 0.6639287255589142
Energy: 0.700894175846975
Energy: 0.6639287255583555
Energy: 0.700894175846975
Energy: 0.8007129279050692
Energy: 0.6337448091570831
Energy: 0.8007129279050692
Energy: 0.6337448091576418
Energy: 0.8007129279050692
Energy: 0.6337448091576418
Energy: 0.7427163787750947
Energy: 0.7330539784033787
Energy: 0.7427163787750947
Energy: 0.7330539784033787
Energy: 0.7427163787750947
Energy: 0.7330539784033787
Energy: 0.6358231165971956
Energy: 0.6881617651184682
Energy: 0.6358231165966368
Energy: 0.6881617651167917
Energy: 0.6358231165966368
Energy: 0.6881617651179094
Energy: 0.7490839126360875
Energy: 0.6960989512608663
Energy: 0.7490839126366462
Energy: 0.6960989512608663
Energy: 0.7490839126366462
Energy: 0.6960989512608663

minimum gb energy = 0.5889515800480027 eV
minimum distance =  2.33480387310193 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.9615859464163887
Energy: 0.8528678895445434
Energy: 0.9615859464155924
Energy: 0.8528678895437473
Energy: 0.9615859464155924
Energy: 0.8528678895453394
Energy: 0.8504191001783806
Energy: 0.872201439334207
Energy: 0.8504191001775843
Energy: 0.872201439334207
Energy: 0.8504191001783806
Energy: 0.872201439334207
Energy: 0.9198795826377898
Energy: 0.8718514364447273
Energy: 0.9198795826369938
Energy: 0.8718514364447273
Energy: 0.9198795826377898
Energy: 0.8718514364455235
Energy: 0.9239272920683781
Energy: 0.8750996022744024
Energy: 0.923927292067582
Energy: 0.8750996022744024
Energy: 0.9239272920667857
Energy: 0.8750996022744024
Energy: 0.7576982618661685
Energy: 0.8410006270043824
Energy: 0.7576982618653724
Energy: 0.8410006270043824
Energy: 0.7576982618661685
Energy: 0.8410006270043824
Energy: 0.9091274014450867
Energy: 0.9046935589519718
Energy: 0.9091274014458828
Energy: 0.9046935589527678
Energy: 0.9091274014450867
Energy: 0.9046935589527678
Energy: 0.8519003475067428
Energy: 0.8258744099111525
Energy: 0.8519003475059467
Energy: 0.8258744099111525
Energy: 0.8519003475067428
Energy: 0.8258744099111525
Energy: 0.8166683626374468
Energy: 0.8375455053255728
Energy: 0.8166683626390392
Energy: 0.837545505326369
Energy: 0.8166683626374468
Energy: 0.837545505326369
Energy: 0.9354285761930227
Energy: 0.9482798175737279
Energy: 0.9354285761930227
Energy: 0.9482798175737279
Energy: 0.9354285761930227
Energy: 0.9482798175737279
Energy: 0.851811765839812
Energy: 0.7767980200071608
Energy: 0.8518117658390159
Energy: 0.7767980200071608
Energy: 0.8518117658390159
Energy: 0.7767980200071608
Energy: 0.8642979246042651
Energy: 0.9081804467776093
Energy: 0.8642979246034688
Energy: 0.9081804467776093
Energy: 0.8642979246034688
Energy: 0.9081804467768131
Energy: 0.8532853358288606
Energy: 0.8949722391459897
Energy: 0.8532853358296567
Energy: 0.8949722391459897
Energy: 0.8532853358296567
Energy: 0.8949722391459897
Energy: 0.8927441093512903
Energy: 0.8451961242520509
Energy: 0.8927441093504941
Energy: 0.8451961242505308
Energy: 0.8927441093504941
Energy: 0.8451961242520509
Energy: 0.8479818695011255
Energy: 0.926082116640437
Energy: 0.8479818695011255
Energy: 0.926082116640437
Energy: 0.8479818695011255
Energy: 0.926082116640437
Energy: 0.8596961650096143
Energy: 0.8476286987171237
Energy: 0.8596961650096143
Energy: 0.8476286987171237
Energy: 0.8596961650104107
Energy: 0.8476286987171237
Energy: 0.8571573749391023
Energy: 0.8681883911839388
Energy: 0.8571573749406947
Energy: 0.8681883911847349
Energy: 0.8571573749406947
Energy: 0.8681883911847349
Energy: 0.8745983210741363
Energy: 0.918626407438517
Energy: 0.8745983210733399
Energy: 0.918626407439313
Energy: 0.8745983210733399
Energy: 0.918626407438517
Energy: 0.876363636672464
Energy: 0.8370976599677927
Energy: 0.8763636366716678
Energy: 0.8370976599677927
Energy: 0.876363636672464
Energy: 0.8370976599677927
Energy: 0.9058311701585595
Energy: 0.9157298269553684
Energy: 0.9058311701593558
Energy: 0.9157298269561647
Energy: 0.9058311701593558
Energy: 0.9157298269561647
Energy: 0.7601624710300228
Energy: 0.8714586645116248
Energy: 0.760162471030819
Energy: 0.8714586645116248
Energy: 0.7601624710292266
Energy: 0.8714586645116248
Energy: 0.9261312993293961
Energy: 0.8567404396059207
Energy: 0.9261312993301924
Energy: 0.8567404396059207
Energy: 0.9261312993293961
Energy: 0.8567404396059207
Energy: 0.929734544309717
Energy: 0.9547251888984559
Energy: 0.9297345443089209
Energy: 0.9547251888984559
Energy: 0.9297345443089209
Energy: 0.9547251888984559
Energy: 0.8177305113425735
Energy: 0.9081985875641976
Energy: 0.8177305113425735
Energy: 0.9081985875641976
Energy: 0.8177305113425735
Energy: 0.9081985875649939

minimum gb energy = 0.7576982618653724 eV
minimum distance =  2.33439500603929 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.0573116410239565
Energy: 0.933824416029272
Energy: 1.0573116410244614
Energy: 0.9338244160297771
Energy: 1.0573116410239565
Energy: 0.933824416029272
Energy: 0.9438511436473868
Energy: 0.9744446242929728
Energy: 0.9438511436489021
Energy: 0.9744446242924678
Energy: 0.943851143647892
Energy: 0.9744446242929728
Energy: 1.0112982439059475
Energy: 1.002673135582603
Energy: 1.011298243905442
Energy: 1.0026731355836132
Energy: 1.011298243905442
Energy: 1.0026731355831082
Energy: 1.0160957400842894
Energy: 0.9636148860656242
Energy: 1.0160957400837844
Energy: 0.9636148860656242
Energy: 1.0160957400837844
Energy: 0.963614886065119
Energy: 0.900943186264866
Energy: 0.9691535814360126
Energy: 0.9009431862653711
Energy: 0.9691535814365176
Energy: 0.9009431862653711
Energy: 0.9691535814365176
Energy: 1.0689583414568662
Energy: 1.0202947365451447
Energy: 1.0689583414497947
Energy: 1.0202947365446398
Energy: 1.0689583414578763
Energy: 1.0202947365446398
Energy: 0.9427390557244227
Energy: 0.9147541306541686
Energy: 0.9427390557249278
Energy: 0.9147541306536635
Energy: 0.9427390557239176
Energy: 0.9147541306531584
Energy: 0.9437619017765894
Energy: 1.0189953867813952
Energy: 0.9437619017775994
Energy: 1.0189953867819004
Energy: 0.9437619017765894
Energy: 1.0189953867813952
Energy: 0.9694816476015767
Energy: 1.0245488623467334
Energy: 0.9694816476020818
Energy: 1.0245488623472385
Energy: 0.9694816476015767
Energy: 1.0245488623467334
Energy: 1.0467286431461917
Energy: 0.9315326402217848
Energy: 1.0467286431451814
Energy: 0.9315326402217848
Energy: 1.0467286431456866
Energy: 0.9315326402212797
Energy: 0.9932736026879544
Energy: 1.0070433793339975
Energy: 0.9932736026889645
Energy: 1.0070433793339975
Energy: 0.9932736026879544
Energy: 1.0070433793334923
Energy: 0.945247508103194
Energy: 0.9578584824502833
Energy: 0.945247508102689
Energy: 0.9578584824497782
Energy: 0.9452475081016789
Energy: 0.9578584824502833
Energy: 1.0499047249706934
Energy: 0.9551575431616702
Energy: 1.0499047249701883
Energy: 0.9551575431616702
Energy: 1.0499047249696833
Energy: 0.9551575431616702
Energy: 0.9634391455703736
Energy: 1.0074949712284653
Energy: 0.9634391455703736
Energy: 1.0074949712279602
Energy: 0.9634391455688585
Energy: 1.0074949712279602
Energy: 0.9797639619389013
Energy: 0.9727465420342997
Energy: 0.9797639619394064
Energy: 0.9727465420337946
Energy: 0.9797639619389013
Energy: 0.9727465420337946
Energy: 1.0157072235015707
Energy: 1.0212112191495508
Energy: 1.0157072235020759
Energy: 1.0212112191495508
Energy: 1.0157072235025808
Energy: 1.0212112191495508
Energy: 0.886985451137535
Energy: 1.0028987108389673
Energy: 0.8869854511481419
Energy: 1.0028987108394725
Energy: 0.8869854511486469
Energy: 1.0028987108394725
Energy: 1.0372967331275385
Energy: 1.0334153204924155
Energy: 1.0372967331285488
Energy: 1.0334153204924155
Energy: 1.0372967331275385
Energy: 1.0334153204934255
Energy: 0.9482898636746306
Energy: 1.0279477872064442
Energy: 0.9482898636736206
Energy: 1.0279477872064442
Energy: 0.9482898636746306
Energy: 1.0279477872064442
Energy: 0.9510664861860102
Energy: 0.9741273905031137
Energy: 0.9510664861855052
Energy: 0.9741273905031137
Energy: 0.9510664861865152
Energy: 0.9741273905036187
Energy: 1.0141605271790246
Energy: 1.0190547894956064
Energy: 1.0141605271780145
Energy: 1.0190547894956064
Energy: 1.0141605271790246
Energy: 1.0190547894956064
Energy: 0.9730212387535795
Energy: 0.9431769089342352
Energy: 0.9730212387535795
Energy: 0.9431769089337301
Energy: 0.9730212387545899
Energy: 0.9431769089342352
Energy: 0.9963208722919459
Energy: 1.006485361419777
Energy: 0.9963208722924509
Energy: 1.0064853614177565
Energy: 0.9963208722919459
Energy: 1.0064853614177565
Energy: 1.0432814920137128
Energy: 0.9552552825671812
Energy: 1.0432814920106823
Energy: 0.9552552825671812
Energy: 1.0432814920132076
Energy: 0.9552552825671812
Energy: 0.9452111466658993
Energy: 0.9657592131777212
Energy: 0.9452111466658993
Energy: 0.9657592131777212
Energy: 0.9452111466658993
Energy: 0.9657592131782262
Energy: 0.9985102893422612
Energy: 1.0187530902681623
Energy: 0.998510289341251
Energy: 1.0187530902686674
Energy: 0.998510289341756
Energy: 1.0187530902686674
Energy: 0.9431663196678716
Energy: 0.9417131657345218
Energy: 0.9431663196678716
Energy: 0.9417131657345218
Energy: 0.9431663196678716
Energy: 0.9417131657345218
Energy: 1.0122701218793735
Energy: 1.065765209944192
Energy: 1.0122701218788686
Energy: 1.0657652099436872
Energy: 1.0122701218788686
Energy: 1.065765209944192
Energy: 0.9431381064398915
Energy: 0.9689054833744699
Energy: 0.9431381064429222
Energy: 0.9689054833764902
Energy: 0.9431381064393864
Energy: 0.968905483374975
Energy: 0.9417876702877117
Energy: 0.9120327127487782
Energy: 0.9417876702877117
Energy: 0.9120327127487782
Energy: 0.9417876702882167
Energy: 0.9120327127487782
Energy: 1.0706700303331593
Energy: 1.0594878714228158
Energy: 1.0706700303341694
Energy: 1.0594878714228158
Energy: 1.0706700303346746
Energy: 1.0594878714223106
Energy: 0.9017025975297196
Energy: 0.9742066312055144
Energy: 0.9017025975312348
Energy: 0.9742066312050092
Energy: 0.9017025975322452
Energy: 0.9742066312055144
Energy: 1.0154189528759778
Energy: 0.9906654986654015
Energy: 1.0154189528754727
Energy: 0.9906654986659067
Energy: 1.0154189528749678
Energy: 0.9906654986654015
Energy: 0.9767417538553576
Energy: 0.9764233240688934
Energy: 0.9767417538553576
Energy: 0.9764233240688934
Energy: 0.9767417538553576
Energy: 0.9764233240688934
Energy: 0.9539895806064259
Energy: 1.0033215285420782
Energy: 0.953989580607436
Energy: 1.0033215285415733
Energy: 0.9539895806064259
Energy: 1.0033215285420782
Energy: 1.0574758909101327
Energy: 0.933275104481431
Energy: 1.0574758909091224
Energy: 0.933275104481431
Energy: 1.0574758909101327
Energy: 0.9332751044819362
Energy: 0.946771433821069
Energy: 0.9687429238233696
Energy: 0.946771433820564
Energy: 0.9687429238233696
Energy: 0.946771433821069
Energy: 0.9687429238233696

minimum gb energy = 0.886985451137535 eV
minimum distance =  2.31956712965219 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.1838913134575193
Energy: 1.1161776083996466
Energy: 1.18389131345614
Energy: 1.1161776083996466
Energy: 1.1838913134575193
Energy: 1.1161776083996466
Energy: 1.0940350414609201
Energy: 1.1505482735097399
Energy: 1.0940350414609201
Energy: 1.1505482735097399
Energy: 1.0940350414609201
Energy: 1.1505482735111188
Energy: 1.1789763065169936
Energy: 1.1385147320603346
Energy: 1.1789763065197516
Energy: 1.1385147320603346
Energy: 1.1789763065169936
Energy: 1.1385147320603346
Energy: 1.1829845219589157
Energy: 1.1488378375169668
Energy: 1.1829845219589157
Energy: 1.148837837518346
Energy: 1.182984521961674
Energy: 1.1488378375169668
Energy: 1.0723590908942504
Energy: 1.1222407793095006
Energy: 1.0723590908942504
Energy: 1.1222407793095006
Energy: 1.0723590908956298
Energy: 1.1222407793095006
Energy: 1.2184867788652238
Energy: 1.2119276295328265
Energy: 1.2184867788652238
Energy: 1.2119276295328265
Energy: 1.218486778863845
Energy: 1.2119276295314476
Energy: 1.1654967286686087
Energy: 1.0781300660088846
Energy: 1.1654967286686087
Energy: 1.0781300660088846
Energy: 1.1654967286686087
Energy: 1.0781300660088846
Energy: 1.1562049066618156
Energy: 1.1452368766140204
Energy: 1.1562049066618156
Energy: 1.1452368766140204
Energy: 1.1562049066618156
Energy: 1.1452368766140204
Energy: 1.097026938768007
Energy: 1.0958536387964648
Energy: 1.097026938768007
Energy: 1.0958536387950857
Energy: 1.097026938768007
Energy: 1.0958536387964648
Energy: 1.180823031109052
Energy: 1.1300115349648645
Energy: 1.180823031109052
Energy: 1.1300115349634854
Energy: 1.180823031109052
Energy: 1.1300115349634854
Energy: 1.1652570072342694
Energy: 1.138501591132906
Energy: 1.2063261699429524
Energy: 1.1385015911315268
Energy: 1.0958830304910097
Energy: 1.1385015911315268
Energy: 1.1509451418238155
Energy: 1.1488638383749952
Energy: 1.1509451418224361
Energy: 1.1488638383763738
Energy: 1.1509451418238155
Energy: 1.1488638383763738
Energy: 1.180326564035278
Energy: 1.1843487924700715
Energy: 1.180326564035278
Energy: 1.1843487924700715
Energy: 1.180326564035278
Energy: 1.1843487924700715
Energy: 1.0743557808309758
Energy: 1.1394219440170181
Energy: 1.0743557808323547
Energy: 1.13942194401426
Energy: 1.0743557808309758
Energy: 1.139421944012881

minimum gb energy = 1.0723590908942504 eV
minimum distance =  2.30944526369276 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.3407550130667736
Energy: 1.3092616304172615
Energy: 1.3407550130661678
Energy: 1.3092616304172615
Energy: 1.3407550130667736
Energy: 1.3092616304166558
Energy: 1.1929863448375437
Energy: 1.266219416933584
Energy: 1.1929863448381497
Energy: 1.266219416933584
Energy: 1.1929863448375437
Energy: 1.2662194169329781
Energy: 1.2865445464669805
Energy: 1.2611603405937668
Energy: 1.2865445464651633
Energy: 1.2611603405937668
Energy: 1.286544546465769
Energy: 1.2611603405937668
Energy: 1.2643254287851535
Energy: 1.2116533161210978
Energy: 1.2643254287845476
Energy: 1.211653316120492
Energy: 1.2643254287845476
Energy: 1.211653316120492
Energy: 1.269654241113422
Energy: 1.2612774294356357
Energy: 1.269654241113422
Energy: 1.2612774294362414
Energy: 1.269654241113422
Energy: 1.2612774294356357
Energy: 1.239480841083318
Energy: 1.3027763787029307
Energy: 1.2394808410839238
Energy: 1.3027763787029307
Energy: 1.2394808410839238
Energy: 1.3027763787029307
Energy: 1.2629228976505449
Energy: 1.2319098406504674
Energy: 1.2629228976505449
Energy: 1.2319098406504674
Energy: 1.2629228976505449
Energy: 1.2319098406504674
Energy: 1.2465627044294163
Energy: 1.2663084202669883
Energy: 1.2465627044294163
Energy: 1.2663084202669883
Energy: 1.2465627044294163
Energy: 1.2663084202669883
Energy: 1.2631474138861367
Energy: 1.249874453397232
Energy: 1.2631474138861367
Energy: 1.249874453397232
Energy: 1.2631474138861367
Energy: 1.249874453397232
Energy: 1.2495386999730917
Energy: 1.2679973308088324
Energy: 1.2495386999730917
Energy: 1.2679973308082269
Energy: 1.2495386999730917
Energy: 1.2679973308082269
Energy: 1.2277567962979785
Energy: 1.2627425091593893
Energy: 1.2277567962979785
Energy: 1.2627425091587836
Energy: 1.2277567962979785
Energy: 1.2627425091587836
Energy: 1.2678778307009853
Energy: 1.2870684261564356
Energy: 1.2678778307009853
Energy: 1.2870684261564356
Energy: 1.2678778307015912
Energy: 1.2870684261564356
Energy: 1.2734837627219666
Energy: 1.2424040626334985
Energy: 1.2734837627225724
Energy: 1.2424040626334985
Energy: 1.2734837627219666
Energy: 1.2424040626341044
Energy: 1.2505867997002564
Energy: 1.260113693627885
Energy: 1.2505867996996505
Energy: 1.2601136936284907
Energy: 1.2505867997002564
Energy: 1.2601136936284907
Energy: 1.190938469006522
Energy: 1.2457453430401169
Energy: 1.1909384690071279
Energy: 1.2457453430401169
Energy: 1.1909384690071279
Energy: 1.2457453430395111
Energy: 1.266920165506201
Energy: 1.2329892706870287
Energy: 1.266920165506807
Energy: 1.2329892706870287
Energy: 1.2669201655074127
Energy: 1.2329892706870287
Energy: 1.2151470883771487
Energy: 1.2664383514188593
Energy: 1.2151470883771487
Energy: 1.266438351419465
Energy: 1.2151470883771487
Energy: 1.2664383514188593
Energy: 1.2828272388326742
Energy: 1.2940927865355671
Energy: 1.2828272388332802
Energy: 1.2940927865355671
Energy: 1.2828272388326742
Energy: 1.2940927865355671
Energy: 1.230930807136726
Energy: 1.1919724152101516
Energy: 1.2309308071379377
Energy: 1.1919724152101516
Energy: 1.230930807137332
Energy: 1.1919724152107574
Energy: 1.23532707977397
Energy: 1.2590804639191573
Energy: 1.2353270797751814
Energy: 1.2590804639191573
Energy: 1.2353270797745757
Energy: 1.2590804639191573
Energy: 1.2026910061663123
Energy: 1.2330470817298627
Energy: 1.2026910061663123
Energy: 1.2330470817298627
Energy: 1.2026910061657063
Energy: 1.2330470817298627
Energy: 1.2857660094069316
Energy: 1.2953763209148164
Energy: 1.2857660094069316
Energy: 1.2953763209142104
Energy: 1.2857660094069316
Energy: 1.2953763209142104
Energy: 1.251754610249873
Energy: 1.2618377761588686
Energy: 1.2517546102510844
Energy: 1.2618377761588686
Energy: 1.251754610249873
Energy: 1.2618377761588686
Energy: 1.3035058228274785
Energy: 1.2652704596367805
Energy: 1.3035058228274785
Energy: 1.2652704596367805
Energy: 1.3035058228274785
Energy: 1.2652704596367805
Energy: 1.2499728140889494
Energy: 1.2526906065387688
Energy: 1.2499728140889494
Energy: 1.2526906065387688
Energy: 1.2499728140883435
Energy: 1.2526906065387688
Energy: 1.2298551479349045
Energy: 1.259712246254949
Energy: 1.2298551479349045
Energy: 1.259712246255555
Energy: 1.2298551479349045
Energy: 1.259712246254949
Energy: 1.2376622460438913
Energy: 1.2939410118608377
Energy: 1.2376622460432853
Energy: 1.2939410118614434
Energy: 1.2376622460438913
Energy: 1.293941011862655
Energy: 1.2683347266701381
Energy: 1.2307467061744477
Energy: 1.2683347266701381
Energy: 1.2307467061744477
Energy: 1.2683347266695322
Energy: 1.2307467061744477
Energy: 1.2507196253155275
Energy: 1.273293400610534
Energy: 1.2507196253149218
Energy: 1.2732934006111398
Energy: 1.2507196253155275
Energy: 1.2732934006111398
Energy: 1.2342401089966353
Energy: 1.184744429901316
Energy: 1.2342401089954234
Energy: 1.184744429901316
Energy: 1.2342401089960293
Energy: 1.184744429901316
Energy: 1.2537660342254293
Energy: 1.2824452229509853
Energy: 1.2537660342248234
Energy: 1.2824452229509853
Energy: 1.2537660342248234
Energy: 1.2824452229509853

minimum gb energy = 1.184744429901316 eV
minimum distance =  2.26569422211231 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.2001585404580308
Energy: 1.1740672505927927
Energy: 1.2001585404569528
Energy: 1.1740672505927927
Energy: 1.2001585404580308
Energy: 1.1740672505927927
Energy: 1.2590286693279762
Energy: 1.255735158753339
Energy: 1.2590286693279762
Energy: 1.255735158753339
Energy: 1.2590286693279762
Energy: 1.255735158753339
Energy: 1.2805863670245046
Energy: 1.248076355313399
Energy: 1.2805863670169582
Energy: 1.248076355313399
Energy: 1.2805863670234265
Energy: 1.248076355312321
Energy: 1.1926387995748584
Energy: 1.5177582541252053
Energy: 1.1926387995759364
Energy: 1.6538744862686356
Energy: 1.1926387995748584
Energy: 1.5177582541262833
Energy: 1.2800821960726432
Energy: 1.2481439650033381
Energy: 1.280082196071565
Energy: 1.2481439650033381
Energy: 1.2800821960726432
Energy: 1.2481439650033381
Energy: 1.2590457182993662
Energy: 1.2557090525091446
Energy: 1.2590457182993662
Energy: 1.2557090525091446
Energy: 1.2590457182993662
Energy: 1.2557090525091446
Energy: 1.2001585404569528
Energy: 1.1740672505927927
Energy: 1.2001585404569528
Energy: 1.1740672505927927
Energy: 1.2001585404569528
Energy: 1.1740672505927927
Energy: 1.25902866932582
Energy: 1.255735158753339
Energy: 1.25902866932582
Energy: 1.255735158753339
Energy: 1.25902866932582
Energy: 1.255735158753339
Energy: 1.2805863670234265
Energy: 1.248076355312321
Energy: 1.2805863670212705
Energy: 1.248076355312321
Energy: 1.2805863670223483
Energy: 1.248076355312321
Energy: 1.1926387995737804
Energy: 1.455537479978046
Energy: 1.1926387995727024
Energy: 1.455537479978046
Energy: 1.1926387995727024
Energy: 1.455537479978046
Energy: 1.2800821960726432
Energy: 1.2481439650076505
Energy: 1.2800821960726432
Energy: 1.2481439650054942
Energy: 1.2800821960726432
Energy: 1.2481439650054942
Energy: 1.2590457182993662
Energy: 1.2557090525091446
Energy: 1.259045718300444
Energy: 1.2557090525080667
Energy: 1.259045718300444
Energy: 1.2557090525080667
Energy: 1.2001585404580308
Energy: 1.1740672505927927
Energy: 1.2001585404569528
Energy: 1.1740672505927927
Energy: 1.2001585404569528
Energy: 1.1740672505927927
Energy: 1.2590286693279762
Energy: 1.2557351587522612
Energy: 1.2590286693279762
Energy: 1.255735158753339
Energy: 1.2590286693279762
Energy: 1.255735158753339
Energy: 1.2805863670234265
Energy: 1.248076355313399
Energy: 1.2805863670180362
Energy: 1.248076355313399
Energy: 1.2805863670245046
Energy: 1.248076355313399
Energy: 1.1926387995759364
Energy: 1.2888661990128958
Energy: 1.1926387995748584
Energy: 1.2888661990128958
Energy: 1.1926387995748584
Energy: 1.2888661990128958
Energy: 1.2800821960726432
Energy: 1.2481439650033381
Energy: 1.2800821960726432
Energy: 1.2481439650033381
Energy: 1.280082196071565
Energy: 1.2481439650033381

minimum gb energy = 1.1740672505927927 eV
minimum distance =  2.30988985617341 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.321072394860094
Energy: 1.2374625480038168
Energy: 1.321072394860094
Energy: 1.2374625480038168
Energy: 1.3210723948609742
Energy: 1.2374625480038168
Energy: 1.2761711683393293
Energy: 1.280151592004576
Energy: 1.2761711683384491
Energy: 1.2801515920036959
Energy: 1.2761711683384491
Energy: 1.2801515920036959
Energy: 1.2741034223162957
Energy: 1.2766063901775453
Energy: 1.2741034223162957
Energy: 1.2766063901775453
Energy: 1.2741034223154155
Energy: 1.2766063901775453
Energy: 1.2566201425527783
Energy: 1.353963893634549
Energy: 1.2566201425536583
Energy: 1.353963893634549
Energy: 1.2566201425536583
Energy: 1.353963893634549
Energy: 1.2733281804396253
Energy: 1.29377466966182
Energy: 1.2733281804413856
Energy: 1.2937746696609396
Energy: 1.2733281804405052
Energy: 1.29377466966182
Energy: 1.2841351537079575
Energy: 1.2825816728934745
Energy: 1.2841351537079575
Energy: 1.2825816728934745
Energy: 1.2841351537088377
Energy: 1.2825816728934745
Energy: 1.2656023815303612
Energy: 1.286701856965905
Energy: 1.265602381529481
Energy: 1.2867018569650248
Energy: 1.2656023815303612
Energy: 1.2867018569650248
Energy: 1.261693970294469
Energy: 1.307287967079138
Energy: 1.2616939702953491
Energy: 1.307287967079138
Energy: 1.2616939702953491
Energy: 1.307287967079138
Energy: 1.353075841890195
Energy: 1.274379987610391
Energy: 1.3530758418893147
Energy: 1.274379987610391
Energy: 1.3530758418910753
Energy: 1.274379987610391
Energy: 1.2672083097783429
Energy: 1.2611159679712285
Energy: 1.2672083097783429
Energy: 1.2611159679712285
Energy: 1.267208309779223
Energy: 1.2611159679712285
Energy: 1.262922265142399
Energy: 1.272810038133877
Energy: 1.3025925864948749
Energy: 1.2728100381347571
Energy: 1.2532849631867682
Energy: 1.2728100381347571
Energy: 1.332752820573939
Energy: 1.282422291870751
Energy: 1.332752820573059
Energy: 1.282422291870751
Energy: 1.332752820573059
Energy: 1.282422291870751
Energy: 1.2619463136556093
Energy: 1.315266097770075
Energy: 1.2619463136547289
Energy: 1.315266097770075
Energy: 1.2619463136556093
Energy: 1.315266097770075
Energy: 1.2760509387923913
Energy: 1.262899919332051
Energy: 1.2760509387923913
Energy: 1.262899919332051
Energy: 1.2760509387932715
Energy: 1.262899919332051
Energy: 1.3088165436567312
Energy: 1.271451630458419
Energy: 1.3088165436576116
Energy: 1.271451630458419
Energy: 1.3088165436576116
Energy: 1.271451630458419
Energy: 1.3272999185087686
Energy: 1.2714845698764468
Energy: 1.3272999185096488
Energy: 1.2714845698764468
Energy: 1.3272999185096488
Energy: 1.2714845698755664
Energy: 1.309736509329861
Energy: 1.272036954754264
Energy: 1.309736509329861
Energy: 1.2720369547516233
Energy: 1.309736509328981
Energy: 1.2720369547551442
Energy: 1.4117794328010398
Energy: 1.2729508268091307
Energy: 1.4117794328001596
Energy: 1.2729508268091307
Energy: 1.4117794328010398
Energy: 1.2729508268091307
Energy: 1.2863186781430975
Energy: 1.2702978842996593
Energy: 1.2863186781430975
Energy: 1.2702978842996593
Energy: 1.2863186781430975
Energy: 1.2702978842996593
Energy: 1.2716859245980032
Energy: 1.2381236947582963
Energy: 1.271685924597123
Energy: 1.238123694756536
Energy: 1.2716859245980032
Energy: 1.2381236947574161
Energy: 1.3368408365564264
Energy: 1.2974757471927123
Energy: 1.3368408365564264
Energy: 1.2974757471927123
Energy: 1.3368408365573068
Energy: 1.2974757471927123

minimum gb energy = 1.2374625480038168 eV
minimum distance =  2.278200885057 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.3514125339875853
Energy: 1.220063961000934
Energy: 1.351412533988327
Energy: 1.2200639610039021
Energy: 1.3514125339875853
Energy: 1.2200639610024182
Energy: 1.3083962359497543
Energy: 1.235255039549007
Energy: 1.3083962359490124
Energy: 1.235255039549007
Energy: 1.3083962359497543
Energy: 1.235255039549007
Energy: 1.2096821996082743
Energy: 1.2441613715118105
Energy: 1.2096821996082743
Energy: 1.2441613715118105
Energy: 1.2096821996075322
Energy: 1.2441613715118105
Energy: 1.2119862438047073
Energy: 1.2074372034140104
Energy: 1.2119862438054492
Energy: 1.2074372034140104
Energy: 1.2119862438047073
Energy: 1.2074372034140104
Energy: 1.2117006204994343
Energy: 1.2525955514185678
Energy: 1.2117006205001764
Energy: 1.2525955514185678
Energy: 1.2117006204994343
Energy: 1.2525955514185678
Energy: 1.2484997712386285
Energy: 1.3112285198624016
Energy: 1.2484997712386285
Energy: 1.3112285198624016
Energy: 1.2484997712401125
Energy: 1.3112285198624016
Energy: 1.2130046857656258
Energy: 1.2599158441985774
Energy: 1.2130046857641419
Energy: 1.2599158442000613
Energy: 1.2130046857648837
Energy: 1.2599158441993195
Energy: 1.27412426659433
Energy: 1.2092205263333669
Energy: 1.27412426659433
Energy: 1.2092205263333669
Energy: 1.27412426659433
Energy: 1.2092205263333669
Energy: 1.2342284989923216
Energy: 1.246318339651861
Energy: 1.2342284989923216
Energy: 1.2463183396511186
Energy: 1.2342284989915795
Energy: 1.246318339651861
Energy: 1.323133912845628
Energy: 1.2280910213315948
Energy: 1.3231339128448865
Energy: 1.2280910213315948
Energy: 1.3231339128448865
Energy: 1.2280910213315948
Energy: 1.318446430079773
Energy: 1.2526049852619494
Energy: 1.318446430079773
Energy: 1.2526049852619494
Energy: 1.3184464300805148
Energy: 1.2526049852619494
Energy: 1.2603916961143644
Energy: 1.211345875738751
Energy: 1.2603916961143644
Energy: 1.211345875738751
Energy: 1.2603916961136223
Energy: 1.211345875738751
Energy: 1.272185063060327
Energy: 1.2057377885644442
Energy: 1.272185063059585
Energy: 1.2057377885644442
Energy: 1.272185063060327
Energy: 1.2057377885644442
Energy: 1.2412054424328303
Energy: 1.236038591005265
Energy: 1.2412054424328303
Energy: 1.236038591005265
Energy: 1.2412054424320884
Energy: 1.236038591005265
Energy: 1.2412927169438581
Energy: 1.3326980575758944
Energy: 1.2412927169438581
Energy: 1.3326980575766365
Energy: 1.2412927169446
Energy: 1.3326980575766365
Energy: 1.237818307649185
Energy: 1.2520283256393439
Energy: 1.237818307648443
Energy: 1.2520283256393439
Energy: 1.237818307648443
Energy: 1.2520283256393439
Energy: 1.2116209648128091
Energy: 1.2111465905188261
Energy: 1.2116209648135512
Energy: 1.2111465905188261
Energy: 1.2116209648128091
Energy: 1.2111465905188261
Energy: 1.2083898332817022
Energy: 1.23460357877096
Energy: 1.2083898332809602
Energy: 1.23460357877096
Energy: 1.2083898332809602
Energy: 1.2346035787702179
Energy: 1.1664497459682186
Energy: 1.211705266982586
Energy: 1.1664497459682186
Energy: 1.211705266982586
Energy: 1.1664497459682186
Energy: 1.211705266982586
Energy: 1.3514125339868432
Energy: 1.2200639610083537
Energy: 1.3514125339868432
Energy: 1.220063961006128
Energy: 1.3514125339868432
Energy: 1.220063961006128
Energy: 1.3083962359482706
Energy: 1.235255039549007
Energy: 1.3083962359467867
Energy: 1.235255039549007
Energy: 1.3083962359475285
Energy: 1.235255039549007
Energy: 1.2096821996067904
Energy: 1.2441613715103266
Energy: 1.2096821996067904
Energy: 1.2441613715103266
Energy: 1.2096821996067904
Energy: 1.2441613715103266
Energy: 1.2119862438047073
Energy: 1.2074372034132683
Energy: 1.2119862438047073
Energy: 1.2074372034132683
Energy: 1.2119862438047073
Energy: 1.2074372034132683
Energy: 1.2117006205009182
Energy: 1.25259555141931
Energy: 1.2117006205016603
Energy: 1.2525955514185678
Energy: 1.2117006205016603
Energy: 1.2525955514185678
Energy: 1.2484997712401125
Energy: 1.3112285198616596
Energy: 1.2484997712393706
Energy: 1.3112285198616596
Energy: 1.2484997712401125
Energy: 1.3112285198616596

minimum gb energy = 1.1664497459682186 eV
minimum distance =  2.30942297108517 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.2410084612033125
Energy: 1.2363777701320233
Energy: 1.2410084612026722
Energy: 1.2363777701320233
Energy: 1.2410084612033125
Energy: 1.2363777701313827
Energy: 1.2394804271757593
Energy: 1.2424259999093532
Energy: 1.2394804271763997
Energy: 1.2424259999099938
Energy: 1.2394804271757593
Energy: 1.2424259999093532
Energy: 1.240385140852098
Energy: 1.1865927559890832
Energy: 1.2403851408527387
Energy: 1.1865927559890832
Energy: 1.240385140852098
Energy: 1.1865927559890832
Energy: 1.2038038564941882
Energy: 1.2524949435823383
Energy: 1.2038038564941882
Energy: 1.2524949435823383
Energy: 1.2038038564941882
Energy: 1.2524949435823383
Energy: 1.215848738412566
Energy: 1.253839855561863
Energy: 1.2158487384132064
Energy: 1.2538398555625032
Energy: 1.2158487384132064
Energy: 1.2538398555625032
Energy: 1.2347886574685174
Energy: 1.2083676179956897
Energy: 1.234788657467877
Energy: 1.20836761799633
Energy: 1.2347886574685174
Energy: 1.2083676179956897
Energy: 1.1864679620300809
Energy: 1.2920795689612943
Energy: 1.1864679620300809
Energy: 1.2920795689606537
Energy: 1.1864679620300809
Energy: 1.2920795689612943
Energy: 1.225875841904456
Energy: 1.2496585828784954
Energy: 1.2258758419050966
Energy: 1.2496585828784954
Energy: 1.225875841904456
Energy: 1.2496585828784954
Energy: 1.2980524825158994
Energy: 1.183565431667848
Energy: 1.298052482515259
Energy: 1.183565431667848
Energy: 1.2980524825158994
Energy: 1.183565431667848
Energy: 1.24300400418181
Energy: 1.2412680455732688
Energy: 1.24300400418181
Energy: 1.241268045573909
Energy: 1.24300400418181
Energy: 1.241268045573909
Energy: 1.1922464964410873
Energy: 1.2500264584160212
Energy: 1.1922464964410873
Energy: 1.2500264584160212
Energy: 1.1922464964410873
Energy: 1.2500264584160212
Energy: 1.2451805989821458
Energy: 1.1839381760911745
Energy: 1.2451805989815055
Energy: 1.1839381760911745
Energy: 1.2451805989827864
Energy: 1.1839381760905339
Energy: 1.2383531576056723
Energy: 1.2223055283856323
Energy: 1.2383531576056723
Energy: 1.2223055283856323
Energy: 1.2383531576056723
Energy: 1.2223055283856323
Energy: 1.2028201590417007
Energy: 1.239955268770158
Energy: 1.20282015904106
Energy: 1.2399552687675963
Energy: 1.20282015904106
Energy: 1.2399552687682367
Energy: 1.256424422825252
Energy: 1.1773168850554985
Energy: 1.256424422825252
Energy: 1.1773168850554985
Energy: 1.256424422825252
Energy: 1.1773168850554985
Energy: 1.2412112406860774
Energy: 1.185878135171319
Energy: 1.2412112406860774
Energy: 1.185878135171319
Energy: 1.2412112406867177
Energy: 1.185878135171319
Energy: 1.203196382877244
Energy: 1.2429119013550691
Energy: 1.203196382877244
Energy: 1.2429119013569903
Energy: 1.203196382877244
Energy: 1.2429119013544285
Energy: 1.2453969824966977
Energy: 1.2844608260386174
Energy: 1.2453969824960571
Energy: 1.2844608260386174
Energy: 1.2453969824966977
Energy: 1.2844608260386174
Energy: 1.2235741546001226
Energy: 1.2052305399004324
Energy: 1.223574154599482
Energy: 1.2052305399004324
Energy: 1.2235741546001226
Energy: 1.205230539899792
Energy: 1.214267676574146
Energy: 1.231053121400037
Energy: 1.214267676574146
Energy: 1.231053121400037
Energy: 1.214267676574146
Energy: 1.2310531214006777
Energy: 1.177168327347515
Energy: 1.2503836601687561
Energy: 1.177168327347515
Energy: 1.2503836601687561
Energy: 1.177168327346875
Energy: 1.2503836601687561
Energy: 1.3022242552532914
Energy: 1.1842614114122392
Energy: 1.3022242552532914
Energy: 1.1842614114122392
Energy: 1.3022242552526508
Energy: 1.1842614114122392
Energy: 1.2961991851434262
Energy: 1.2396599241903354
Energy: 1.2961991851440666
Energy: 1.2396599241903354
Energy: 1.2961991851440666
Energy: 1.2396599241903354
Energy: 1.2431004198491324
Energy: 1.2418585813911702
Energy: 1.2431004198497728
Energy: 1.2418585813911702
Energy: 1.2431004198497728
Energy: 1.2418585813911702
Energy: 1.2422627691968342
Energy: 1.1853750115967807
Energy: 1.2422627691974748
Energy: 1.1853750115967807
Energy: 1.2422627691968342
Energy: 1.1853750115967807
Energy: 1.2404365666173254
Energy: 1.2126720756501808
Energy: 1.2404365666173254
Energy: 1.2126720756501808
Energy: 1.2404365666179658
Energy: 1.2126720756508214
Energy: 1.191168250281861
Energy: 1.2395482369633295
Energy: 1.1911682502812204
Energy: 1.2395482369633295
Energy: 1.191168250281861
Energy: 1.2395482369626891
Energy: 1.2415966337759312
Energy: 1.2166435380144516
Energy: 1.241596633775291
Energy: 1.2166435380144516
Energy: 1.241596633775291
Energy: 1.2166435380144516
Energy: 1.236379396873106
Energy: 1.2177516407892996
Energy: 1.2363793968737466
Energy: 1.2177516407892996
Energy: 1.2363793968737466
Energy: 1.2177516407892996

minimum gb energy = 1.177168327346875 eV
minimum distance =  2.27143187293331 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.177201996881877
Energy: 1.2544031643988518
Energy: 1.177201996881877
Energy: 1.2544031643988518
Energy: 1.177201996881877
Energy: 1.2544031643988518
Energy: 1.236902400235956
Energy: 1.205399342343435
Energy: 1.2369024002365194
Energy: 1.205399342343435
Energy: 1.236902400235956
Energy: 1.205399342343435
Energy: 1.2141650165370297
Energy: 1.1329362107994372
Energy: 1.2141650165370297
Energy: 1.1329362107999998
Energy: 1.2141650165370297
Energy: 1.1329362107999998
Energy: 1.1301364987921947
Energy: 1.2188345388844795
Energy: 1.1301364987921947
Energy: 1.2188345388811015
Energy: 1.1301364987927576
Energy: 1.2616476681218287
Energy: 1.16894710033244
Energy: 1.1767123138092994
Energy: 1.1689471003318772
Energy: 1.1767123138092994
Energy: 1.168947100331314
Energy: 1.1767123138092994
Energy: 1.2348988243978611
Energy: 1.1320220400484369
Energy: 1.2348988243984242
Energy: 1.1320220400489998
Energy: 1.2348988243984242
Energy: 1.1320220400489998
Energy: 1.1699172024089168
Energy: 1.2044498401385015
Energy: 1.1699172024094797
Energy: 1.2044498401385015
Energy: 1.1699172024089168
Energy: 1.2044498401385015
Energy: 1.1271594090603203
Energy: 1.2039807029340177
Energy: 1.1271594090608834
Energy: 1.262777250956637
Energy: 1.1271594090603203
Energy: 1.262777250956637
Energy: 1.2300346632034662
Energy: 1.1332596599808322
Energy: 1.2300346632034662
Energy: 1.1332596599808322
Energy: 1.2300346632040289
Energy: 1.1332596599808322
Energy: 1.1692089623323798
Energy: 1.2253201744632891
Energy: 1.1692089623329427
Energy: 1.2832069907568906
Energy: 1.1692089623329427
Energy: 1.2832069907568906
Energy: 1.1234637765761357
Energy: 1.3366612875935922
Energy: 1.1234637765772615
Energy: 1.3366612875935922
Energy: 1.1234637765766986
Energy: 1.3366612875935922
Energy: 1.2384330590778176
Energy: 1.2063831029987966
Energy: 1.2384330590789436
Energy: 1.2143846222283914
Energy: 1.2384330590772545
Energy: 1.1936316996686265
Energy: 1.2075625462816786
Energy: 1.1317875296730513
Energy: 1.207562546282242
Energy: 1.1317875296724882
Energy: 1.207562546282242
Energy: 1.1317875296724882
Energy: 1.183561757922118
Energy: 1.2038797682914708
Energy: 1.1835617579215552
Energy: 1.2482054652898156
Energy: 1.1835617579215552
Energy: 1.2482054652898156
Energy: 1.2322650842752527
Energy: 1.1745054796638046
Energy: 1.2322650842746896
Energy: 1.1745054796643677
Energy: 1.2322650842752527
Energy: 1.1745054796643677
Energy: 1.2142571833564488
Energy: 1.132042195610985
Energy: 1.214257183357012
Energy: 1.132042195610422
Energy: 1.214257183355886
Energy: 1.132042195610422
Energy: 1.1204107213935477
Energy: 1.2194350156675107
Energy: 1.1204107213924217
Energy: 1.2194350156675107
Energy: 1.1204107213929848
Energy: 1.2194350156675107
Energy: 1.118657242511839
Energy: 1.2232473431884983
Energy: 1.118657242511276
Energy: 1.2232473431890611
Energy: 1.118657242511839
Energy: 1.2232473431890611
Energy: 1.2307487752714386
Energy: 1.1332256505057015
Energy: 1.2307487752720014
Energy: 1.1332256505051383
Energy: 1.2307487752742534
Energy: 1.1332256505057015
Energy: 1.1688679446181078
Energy: 1.224798062192713
Energy: 1.1688679446186705
Energy: 1.2247980621932757
Energy: 1.1688679446186705
Energy: 1.2247980621932757
Energy: 1.1239815076199762
Energy: 1.335083454042888
Energy: 1.1239815076199762
Energy: 1.335083454042325
Energy: 1.1239815076194133
Energy: 1.335083454042325
Energy: 1.2234739921161042
Energy: 1.1261727326272541
Energy: 1.2234739921161042
Energy: 1.1261727326272541
Energy: 1.223473992116667
Energy: 1.1261727326272541
Energy: 1.2215741111168106
Energy: 1.1265883588266545
Energy: 1.2215741111168106
Energy: 1.1265883588266545
Energy: 1.2215741111162475
Energy: 1.1265883588266545
Energy: 1.1301459261159956
Energy: 1.2561230284460587
Energy: 1.1301459261165585
Energy: 1.256123028447185
Energy: 1.1301459261165585
Energy: 1.2561230284466218
Energy: 1.2497994862755504
Energy: 1.1760741379272956
Energy: 1.2497994862755504
Energy: 1.1760741379272956
Energy: 1.2497994862761133
Energy: 1.1760741379272956
Energy: 1.2083796661946142
Energy: 1.1319618099332909
Energy: 1.2083796661934882
Energy: 1.1319618099338538
Energy: 1.2083796661946142
Energy: 1.1319618099332909
Energy: 1.1771215771633785
Energy: 1.2061647033209453
Energy: 1.1771215771633785
Energy: 1.2061647033215086
Energy: 1.1771215771656303
Energy: 1.2061647033215086
Energy: 1.1778196488838188
Energy: 1.2204469826114668
Energy: 1.177819648883256
Energy: 1.2204469826120297
Energy: 1.177819648883256
Energy: 1.2204469826120297
Energy: 1.2405271907502007
Energy: 1.148364423440495
Energy: 1.2405271907502007
Energy: 1.148364423440495
Energy: 1.240527190749638
Energy: 1.148364423440495
Energy: 1.119391794842726
Energy: 1.2191240375137644
Energy: 1.1193917948432894
Energy: 1.2191240375143273
Energy: 1.1193917948438523
Energy: 1.2191240375143273
Energy: 1.1213933812133192
Energy: 1.1855935485378963
Energy: 1.1213933812133192
Energy: 1.1855935485373335
Energy: 1.1213933812127561
Energy: 1.1855935485378963
Energy: 1.222839973564034
Energy: 1.1259936372419643
Energy: 1.222839973564034
Energy: 1.1259936372425272
Energy: 1.222839973564034
Energy: 1.1259936372425272
Energy: 1.222160965390423
Energy: 1.127010605067727
Energy: 1.222160965392112
Energy: 1.127010605067727
Energy: 1.222160965390986
Energy: 1.127010605067727

minimum gb energy = 1.118657242511276 eV
minimum distance =  2.28711405967309 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020372437802896156
Energy: 0.9609405549989183
Energy: 0.020372437803363928
Energy: 0.9609405549989183
Energy: 0.020372437802896156
Energy: 0.9609405549989183
Energy: 0.02109595779877244
Energy: 0.39853640741936275
Energy: 0.021095957799188235
Energy: 0.39853640741936275
Energy: 0.02109595779877244
Energy: 0.39853640741936275
Energy: 1.4287447543853637
Energy: 0.3991855957419661
Energy: 1.4287447543857792
Energy: 0.399185595744253
Energy: 1.428744754386247
Energy: 0.39918559574331747
Energy: 0.021095957799188235
Energy: 0.39853640741754365
Energy: 0.021095957799188235
Energy: 0.3985364074179594
Energy: 0.02109595779877244
Energy: 0.39853640741754365

minimum gb energy = 0.020372437802896156 eV
minimum distance =  2.48139739561057 Angstroms
sigma value = 1