Model name: model_name=EAM_Dynamo_BonnyPasianotMalerba_2009_FeNi__MO_267721408934_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: 0.5235329411283287
Energy: 0.9706881346810751
Energy: 0.5235329411286594
Energy: 0.9706881346810751
Energy: 0.5235329411286594
Energy: 0.01801383177216279
Energy: 0.9706881346814057
Energy: 0.01801383177216279
Energy: 0.9706881346810751
Energy: 0.01801383177216279
Energy: 0.9706881346810751
Energy: 0.9706881346807443
Energy: 0.5235329411289903
Energy: 0.9706881346814057
Energy: 1.0069504594668965
Energy: 0.9706881346817366
Energy: 1.2885623749297748
Energy: 0.018013831772493556
Energy: 0.9706881346810751
Energy: 0.01801383177216279
Energy: 0.9706881346814057
Energy: 0.018013831772493556
Energy: 0.9706881346814057
Energy: 0.9706881346814057
Energy: 0.5235329411286594
Energy: 0.9706881346807443
Energy: 1.288562374930767
Energy: 0.9706881346810751
Energy: 1.1043959889820731

minimum gb energy = 0.01801383177216279 eV
minimum distance =  2.31299879993206 Angstroms
sigma value = 1


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

Energy: 1.2996848057701
Energy: 1.2382777253773762
Energy: 1.2996848057701
Energy: 1.2382777253773762
Energy: 1.2996848057701
Energy: 1.23827772537658
Energy: 1.3961162647073257
Energy: 1.1569069663173288
Energy: 1.3961162647065297
Energy: 1.1569069663173288
Energy: 1.3961162647081222
Energy: 1.1569069663173288
Energy: 1.2745816706800552
Energy: 1.2980874599065226
Energy: 1.2745816706808513
Energy: 1.2980874599057264
Energy: 1.2745816706808513
Energy: 1.2980874599049301
Energy: 1.2889637406833572
Energy: 1.2092131716483967
Energy: 1.2889637406793764
Energy: 1.2092131716483967
Energy: 1.2889637406833572
Energy: 1.2092131716483967
Energy: 1.2450780015932863
Energy: 1.354736752094209
Energy: 1.2450780015924903
Energy: 1.354736752094209
Energy: 1.2450780015932863
Energy: 1.354736752094209
Energy: 1.3042843265725934
Energy: 1.1759320672775453
Energy: 1.3042843265733897
Energy: 1.1759320672783413
Energy: 1.3042843265725934
Energy: 1.1759320672783413
Energy: 1.2075478230298529
Energy: 1.2766810635118278
Energy: 1.2075478230298529
Energy: 1.2766810635110315
Energy: 1.2075478230298529
Energy: 1.2766810635110315
Energy: 1.2078608861685176
Energy: 1.3735465427177411
Energy: 1.2078608861693136
Energy: 1.3735465427193336
Energy: 1.2078608861685176
Energy: 1.3735465427161486
Energy: 1.3359786365429607
Energy: 1.2870923531434326
Energy: 1.335978636543757
Energy: 1.2870923531434326
Energy: 1.335978636543757
Energy: 1.2870923531442287
Energy: 1.140804427168142
Energy: 1.359243775084221
Energy: 1.1408044271673459
Energy: 1.3592437750834245
Energy: 1.1408044271689382
Energy: 1.359243775085017
Energy: 1.307455099243092
Energy: 1.1738506710617798
Energy: 1.307455099243888
Energy: 1.1738506710617798
Energy: 1.307455099243888
Energy: 1.1738506710617798
Energy: 1.125581033103623
Energy: 1.2299634146550362
Energy: 1.125581033103623
Energy: 1.2299634146574248
Energy: 1.1255810331044191
Energy: 1.2299634146574248
Energy: 1.404193246246583
Energy: 1.1147712659731395
Energy: 1.404193246247379
Energy: 1.1147712659731395
Energy: 1.4041932462457867
Energy: 1.1147712659731395
Energy: 1.1921929536436877
Energy: 1.228076296644653
Energy: 1.192192953644484
Energy: 1.228076296644653
Energy: 1.1921929536436877
Energy: 1.228076296645449
Energy: 1.4428444686583428
Energy: 1.1517708861823375
Energy: 1.4428444686583428
Energy: 1.1517708861823375
Energy: 1.4428444686567503
Energy: 1.1517708861823375
Energy: 1.4383302015256287
Energy: 1.30356389685785
Energy: 1.4383302015256287
Energy: 1.3035638968546652
Energy: 1.4383302015256287
Energy: 1.3035638968546652
Energy: 1.2658397430339108
Energy: 1.2649958260495566
Energy: 1.2658397430347068
Energy: 1.2649958260487604
Energy: 1.2658397430347068
Energy: 1.2649958260495566
Energy: 1.26583034213505
Energy: 1.2148493872103134
Energy: 1.2658303421342538
Energy: 1.2148493872111095
Energy: 1.265830342135846
Energy: 1.2148493872119055
Energy: 1.2577496657750202
Energy: 1.2104749060433715
Energy: 1.2577496657750202
Energy: 1.2104749060433715
Energy: 1.257749665774224
Energy: 1.2104749060425752
Energy: 1.3103861939652808
Energy: 1.1757765860108291
Energy: 1.3103861939644845
Energy: 1.1757765860124214
Energy: 1.3103861939660766
Energy: 1.1757765860116252
Energy: 1.1686514469721194
Energy: 1.388260014676659
Energy: 1.1686514469713232
Energy: 1.388260014676659
Energy: 1.1686514469729155
Energy: 1.3882600146782513
Energy: 1.3186135198149445
Energy: 1.2793478610885887
Energy: 1.3186135198157405
Energy: 1.2793478610885887
Energy: 1.3186135198149445
Energy: 1.2793478610885887
Energy: 1.1398634221585568
Energy: 1.3915164850083626
Energy: 1.1398634221577606
Energy: 1.3915164850091586
Energy: 1.1398634221585568
Energy: 1.3915164850067703

minimum gb energy = 1.1147712659731395 eV
minimum distance =  2.26353213252256 Angstroms
sigma value = 33


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

Energy: 1.397443410281189
Energy: 1.3800152439466784
Energy: 1.2913901712828388
Energy: 1.380015243944867
Energy: 1.3974434102789248
Energy: 1.380015243944414
Energy: 1.402713279194124
Energy: 1.2117942539259174
Energy: 1.4027132791995582
Energy: 1.211794253924106
Energy: 1.4027132791986525
Energy: 1.211794253924106
Energy: 1.1969759713654653
Energy: 1.0572008527090626
Energy: 1.1969759713632009
Energy: 1.0572008527095156
Energy: 1.1969759713636539
Energy: 1.0572008527054397
Energy: 1.4779830218409893
Energy: 1.0774483291647226
Energy: 1.477983021842801
Energy: 1.077448329203628
Energy: 1.4779830218396308
Energy: 1.0774483292371406
Energy: 1.300864432923913
Energy: 1.1341949637844728
Energy: 1.3008644329320647
Energy: 1.1341949637437148
Energy: 1.300864432934329
Energy: 1.1341949637188067
Energy: 1.206486452010198
Energy: 1.194400866493791
Energy: 1.2064864520115568
Energy: 1.194409695302253
Energy: 1.2064864520056695
Energy: 1.1944008664987726
Energy: 1.3588537842699515
Energy: 1.3457866969786152
Energy: 1.3588537842694985
Energy: 1.2920157969183839
Energy: 1.3588537842667816
Energy: 1.3457866969804266
Energy: 1.1085960363758465
Energy: 1.1965564755476912
Energy: 1.108596036376752
Energy: 1.1965564767373393
Energy: 1.1085960363799223
Energy: 1.1965564774679422
Energy: 1.174266827380829
Energy: 1.19629908275094
Energy: 1.174266827381282
Energy: 1.1962990827495816
Energy: 1.1742668273790176
Energy: 1.1962990827500346
Energy: 1.1823953979222894
Energy: 1.31170589931834
Energy: 1.1823898073450734
Energy: 1.3117058992884507
Energy: 1.1823953979245536
Energy: 1.311705899280752
Energy: 1.1858692361663843
Energy: 1.1851192889075062
Energy: 1.1858692361989909
Energy: 1.1851192888998072
Energy: 1.1858692362166117
Energy: 1.1851192889020716
Energy: 1.1940187784464802
Energy: 1.2777805446121635
Energy: 1.1940181018816516
Energy: 1.2777805446117105
Energy: 1.1940187784428573
Energy: 1.2777805446148807
Energy: 1.2530861938578222
Energy: 1.1959119388838246
Energy: 1.2530861938505762
Energy: 1.1959119388820132
Energy: 1.253086193847859
Energy: 1.1959119388820132
Energy: 1.3025378591677423
Energy: 1.1883531557970028
Energy: 1.3025378591691008
Energy: 1.1883531558056073
Energy: 1.3025378591686478
Energy: 1.1883531558150764
Energy: 1.2999979321775452
Energy: 1.2156412696996752
Energy: 1.299997932177998
Energy: 1.2156412696955994
Energy: 1.299997932170299
Energy: 1.2156412696960521
Energy: 1.1948366587204553
Energy: 1.0195117948914123
Energy: 1.1948366587245312
Energy: 1.0195117945926828
Energy: 1.1948366587222667
Energy: 1.019511794415693
Energy: 1.2026570029329682
Energy: 1.3224405706394928
Energy: 1.2026570029737267
Energy: 1.3224405706381344
Energy: 1.2026570029977286
Energy: 1.3224405706372284
Energy: 1.2987425166252666
Energy: 1.1941705792701782
Energy: 1.298742516621191
Energy: 1.1942411582519945
Energy: 1.298742516627531
Energy: 1.1941705792719897
Energy: 1.2536919160048527
Energy: 1.2249807698906872
Energy: 1.2536919160057585
Energy: 1.193252309674964
Energy: 1.2536919160116458
Energy: 1.2249807698924575
Energy: 1.3824807331664828
Energy: 1.294486289984084
Energy: 1.3824807331592366
Energy: 1.347659499705916
Energy: 1.3824807331592366
Energy: 1.2944862899822724
Energy: 1.107417433384125
Energy: 1.263264466789317
Energy: 1.1074174333818605
Energy: 1.2632644668798496
Energy: 1.1074174333823132
Energy: 1.2632644669432105
Energy: 1.0200787544198044
Energy: 1.1982888155097697
Energy: 1.020078754425239
Energy: 1.1982888155133928
Energy: 1.020078754431126
Energy: 1.1982888155138456
Energy: 1.1820142561869815
Energy: 1.200709615925132
Energy: 1.1820104277284647
Energy: 1.2007096096764736
Energy: 1.1820142561819997
Energy: 1.2007096056128714
Energy: 1.2120623508586739
Energy: 1.3005224847513803
Energy: 1.2120623508699957
Energy: 1.3005224847577206
Energy: 1.212062350865014
Energy: 1.3005224847536447
Energy: 1.1967974617903732
Energy: 1.2305779266473553
Energy: 1.197139202802607
Energy: 1.2305779266532426
Energy: 1.1967974617885617
Energy: 1.2305779266523367
Energy: 1.1886649452383649
Energy: 1.185390135763034
Energy: 1.2920908026168125
Energy: 1.1853901357562413
Energy: 1.188664945344748
Energy: 1.1853901357639398
Energy: 1.1826001024193908
Energy: 1.0794967912358302
Energy: 1.2917342369657476
Energy: 1.0794967912652667
Energy: 1.1826001178508525
Energy: 1.0794967912801703
Energy: 1.1972173262145693
Energy: 1.1728458089521123
Energy: 1.1972173262141166
Energy: 1.1728458089489422
Energy: 1.197217326212758
Energy: 1.1728458089516596
Energy: 1.2069582960333571
Energy: 1.2113821838118835
Energy: 1.2069582975620403
Energy: 1.2113821838123364
Energy: 1.206958299171252
Energy: 1.2113821838127894
Energy: 1.182256777422633
Energy: 1.1759743608768412
Energy: 1.1822567774244443
Energy: 1.1759743567159129
Energy: 1.1822567774276145
Energy: 1.175974353837389
Energy: 1.298135026569265
Energy: 1.1964238719397804
Energy: 1.2981350265665477
Energy: 1.196214408674978
Energy: 1.298135026568359
Energy: 1.1964238719361575
Energy: 1.195153404388025
Energy: 1.2103702293442702
Energy: 1.1951534043907421
Energy: 1.148736939887484
Energy: 1.1951534043925538
Energy: 1.2103702293750243
Energy: 1.3809537042709181
Energy: 1.3476617187114488
Energy: 1.3809537042740883
Energy: 1.2945014905481278
Energy: 1.3809537042736355
Energy: 1.3476617187128077
Energy: 1.2167402138753824
Energy: 1.2992496219072558
Energy: 1.2167402138808168
Energy: 1.29924962190635
Energy: 1.2167402138794583
Energy: 1.299249621906803
Energy: 1.1109840560320658
Energy: 1.1948023792868254
Energy: 1.1109840560356887
Energy: 1.1948023792931657
Energy: 1.1109840560428934
Energy: 1.194802379291807
Energy: 1.326425464287361
Energy: 1.4720142202345743
Energy: 1.3264254642900783
Energy: 1.47201422023231
Energy: 1.3264254642927955
Energy: 1.47201422022914
Energy: 1.1944787338504437
Energy: 1.299954028409015
Energy: 1.1944861385734185
Energy: 1.2999540284062976
Energy: 1.1944787338468619
Energy: 1.2999540284067506
Energy: 1.2264686823016142
Energy: 1.1839179465103393
Energy: 1.226468682295727
Energy: 1.1839179465030936
Energy: 1.226468682298444
Energy: 1.1839179465021878
Energy: 1.3035838950959766
Energy: 1.3873710850565055
Energy: 1.3035838950932594
Energy: 1.3873710850623928
Energy: 1.3035838950919008
Energy: 1.3873710850556
Energy: 1.1859869500116933
Energy: 1.1081709141689293
Energy: 1.1859869500524103
Energy: 1.108170914165306
Energy: 1.185986950089093
Energy: 1.1081709141612301
Energy: 1.1940104397901674
Energy: 1.1721251000450943
Energy: 1.194010439789262
Energy: 1.1721251000478115
Energy: 1.1940104397879032
Energy: 1.1721251000469057

minimum gb energy = 1.019511794415693 eV
minimum distance =  2.35511269983216 Angstroms
sigma value = 51


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

Energy: 1.2720904199769667
Energy: 1.2941482727737657
Energy: 1.2720904199759173
Energy: 1.2941482727737657
Energy: 1.2720904199759173
Energy: 1.2941482727737657
Energy: 1.37226810368783
Energy: 1.2219277361850396
Energy: 1.37226810368783
Energy: 1.2219277361850396
Energy: 1.3722681036867808
Energy: 1.2219277361850396
Energy: 1.223544780766935
Energy: 1.292131185200448
Energy: 1.223544780766935
Energy: 1.292131185200448
Energy: 1.223544780766935
Energy: 1.292131185200448
Energy: 1.2679692048212328
Energy: 1.137184546729703
Energy: 1.267969204822282
Energy: 1.137184546729703
Energy: 1.2679692048233315
Energy: 1.1371845467307522
Energy: 1.2955874121958624
Energy: 1.2337000622215404
Energy: 1.2955874121958624
Energy: 1.2337000622215404
Energy: 1.2955874121958624
Energy: 1.2337000622225895
Energy: 1.2950870868717357
Energy: 1.2332688114597927
Energy: 1.2950870868706863
Energy: 1.2332688114597927
Energy: 1.2950870868717357
Energy: 1.2332688114608419
Energy: 1.241988894200415
Energy: 1.2332965449103508
Energy: 1.241988894200415
Energy: 1.2332965449093012
Energy: 1.241988894200415
Energy: 1.2332965449103508
Energy: 1.1805618197296255
Energy: 1.234328536118921
Energy: 1.1805618197296255
Energy: 1.234328536118921
Energy: 1.1805618197296255
Energy: 1.234328536118921
Energy: 1.4527854429494707
Energy: 1.1323395218297259
Energy: 1.4527854429494707
Energy: 1.1323395218297259
Energy: 1.4527854429494707
Energy: 1.1323395218297259
Energy: 1.1564100588065274
Energy: 1.31003594602715
Energy: 1.156410058805478
Energy: 1.3100359460219035
Energy: 1.156410058805478
Energy: 1.3100359460240023
Energy: 1.3631128467285338
Energy: 1.1356069941776161
Energy: 1.3631128467295832
Energy: 1.1356069941776161
Energy: 1.3631128467295832
Energy: 1.1356069941776161
Energy: 1.275234381384091
Energy: 1.2968296736482783
Energy: 1.275234381384091
Energy: 1.2968296736482783
Energy: 1.2752343813851403
Energy: 1.2968296736482783
Energy: 1.3708542695512385
Energy: 1.222292276620233
Energy: 1.3708542695522878
Energy: 1.222292276620233
Energy: 1.3708542695480908
Energy: 1.222292276620233
Energy: 1.223544272660509
Energy: 1.1954231484771938
Energy: 1.223544272660509
Energy: 1.1954231484771938
Energy: 1.2235442726594599
Energy: 1.1954231484771938
Energy: 1.2684119843932844
Energy: 1.275721108118952
Energy: 1.2684119843932844
Energy: 1.2757211081200013
Energy: 1.268411984392235
Energy: 1.2757211081200013
Energy: 1.2934602378804465
Energy: 1.2332240228550981
Energy: 1.2934602378793973
Energy: 1.2332240228550981
Energy: 1.2934602378804465
Energy: 1.2332240228540488
Energy: 1.2955752379992163
Energy: 1.3331017246760608
Energy: 1.2955752379992163
Energy: 1.3331017246739623
Energy: 1.2955752380002656
Energy: 1.3331017246750116
Energy: 1.2768057052101687
Energy: 1.238608190177914
Energy: 1.2768057052101687
Energy: 1.238608190177914
Energy: 1.2768057052101687
Energy: 1.238608190177914

minimum gb energy = 1.1323395218297259 eV
minimum distance =  2.25993528486375 Angstroms
sigma value = 19


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

Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.1918390471239335
Energy: 1.2794236592982953
Energy: 1.1918390471251783
Energy: 1.2794236593051416
Energy: 1.191839047127668
Energy: 1.2794236592982953
Energy: 1.032589313579525
Energy: 1.2772110957842728
Energy: 1.032589313579525
Energy: 1.277211095784895
Energy: 1.032589313579525
Energy: 1.277211095783028
Energy: 1.115360531530191
Energy: 1.0324167364514174
Energy: 1.115360531530191
Energy: 1.0324167364514174
Energy: 1.1153605315289463
Energy: 1.0324167364520398
Energy: 1.0509641758707629
Energy: 1.0574769587186241
Energy: 1.0509641758707629
Energy: 1.057476958721114
Energy: 1.0509641758707629
Energy: 1.0574769587192467
Energy: 1.0508223301791335
Energy: 1.0575548972846707
Energy: 1.0508223301797557
Energy: 1.057554897282181
Energy: 1.0508223301797557
Energy: 1.057554897283426
Energy: 1.1153560229818802
Energy: 1.0324073788752115
Energy: 1.1153560229818802
Energy: 1.032407378875834
Energy: 1.1153560229818802
Energy: 1.032407378875834
Energy: 1.0325880682137012
Energy: 1.2774173179430712
Energy: 1.0325880682143234
Energy: 1.2774173179443162
Energy: 1.0325880682137012
Energy: 1.2774173179461834
Energy: 1.194024858504868
Energy: 1.2798779825849014
Energy: 1.1940248585073578
Energy: 1.2798779825849014
Energy: 1.1940248585079802
Energy: 1.2798779825849014
Energy: 1.0603526632181774
Energy: 1.0987062843984097
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.1918390471270455
Energy: 1.2794236592982953
Energy: 1.1918390471258007
Energy: 1.2794236592976729
Energy: 1.1918390471258007
Energy: 1.2794236592989174
Energy: 1.032589313579525
Energy: 1.27721109578614
Energy: 1.0325893135789024
Energy: 1.277211095784895
Energy: 1.032589313579525
Energy: 1.2772110957836504
Energy: 1.115360531530191
Energy: 1.0324167364520398
Energy: 1.115360531530191
Energy: 1.0324167364514174
Energy: 1.115360531530191
Energy: 1.0324167364520398
Energy: 1.0509641758707629
Energy: 1.057476958719869
Energy: 1.0509641758707629
Energy: 1.057476958719869
Energy: 1.0509641758707629
Energy: 1.057476958721114
Energy: 1.0508223301797557
Energy: 1.0575548972809363
Energy: 1.0508223301797557
Energy: 1.0575548972815587
Energy: 1.0508223301797557
Energy: 1.057554897286538
Energy: 1.1153560229812576
Energy: 1.0324073788752115
Energy: 1.1153560229818802
Energy: 1.0324073788752115
Energy: 1.1153560229818802
Energy: 1.0324073788752115
Energy: 1.0325880682143234
Energy: 1.2774173179430712
Energy: 1.0325880682143234
Energy: 1.2774173179449386
Energy: 1.0325880682143234
Energy: 1.2774173179455608
Energy: 1.1940248585067355
Energy: 1.2798779825855238
Energy: 1.1940248585129594
Energy: 1.2798779825849014
Energy: 1.194024858504868
Energy: 1.2798779825849014
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.0603526632188
Energy: 1.0987062843977873
Energy: 1.1918390471258007
Energy: 1.2794236593001624
Energy: 1.1918390471251783
Energy: 1.2794236592982953
Energy: 1.1918390471258007
Energy: 1.2794236592995398
Energy: 1.032589313579525
Energy: 1.2772110957842728
Energy: 1.032589313579525
Energy: 1.277211095784895
Energy: 1.032589313579525
Energy: 1.2772110957836504
Energy: 1.115360531530191
Energy: 1.0324167364520398
Energy: 1.1153605315295685
Energy: 1.0324167364514174
Energy: 1.1153605315295685
Energy: 1.0324167364520398
Energy: 1.0509641758713855
Energy: 1.057476958719869
Energy: 1.0509641758707629
Energy: 1.057476958721114
Energy: 1.0509641758707629
Energy: 1.057476958721736
Energy: 1.0508223301791335
Energy: 1.057554897283426
Energy: 1.0508223301797557
Energy: 1.0575548972809363
Energy: 1.0508223301797557
Energy: 1.057554897282181
Energy: 1.1153560229818802
Energy: 1.032407378875834
Energy: 1.1153560229818802
Energy: 1.0324073788752115
Energy: 1.1153560229818802
Energy: 1.0324073788752115
Energy: 1.0325880682143234
Energy: 1.2774173179430712
Energy: 1.0325880682143234
Energy: 1.2774173179430712
Energy: 1.0325880682143234
Energy: 1.2774173179455608
Energy: 1.1940248585054904
Energy: 1.2798779825849014
Energy: 1.1940248585073578
Energy: 1.2798779825849014
Energy: 1.1940248585098474
Energy: 1.2798779825849014
Energy: 1.0603526632181774
Energy: 1.0987062843984097
Energy: 1.0603526632188
Energy: 1.0987062843984097
Energy: 1.0603526632181774
Energy: 1.0987062843977873
Energy: 1.1918390471282903
Energy: 1.2794236592995398
Energy: 1.1918390471264233
Energy: 1.2794236593082537
Energy: 1.1918390471270455
Energy: 1.2794236593082537
Energy: 1.032589313579525
Energy: 1.277211095784895
Energy: 1.032589313579525
Energy: 1.277211095784895
Energy: 1.032589313579525
Energy: 1.277211095783028

minimum gb energy = 1.0324073788752115 eV
minimum distance =  2.26946900589289 Angstroms
sigma value = 27


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

Energy: 1.0441101191914028
Energy: 1.016660165910638
Energy: 1.0441101191914028
Energy: 1.016660165910638
Energy: 1.0441101191914028
Energy: 1.0166601659121626
Energy: 1.204675008519466
Energy: 1.0524541303020905
Energy: 1.204675008519466
Energy: 1.0524541303020905
Energy: 1.204675008519466
Energy: 1.0524541303020905
Energy: 1.0649816027979804
Energy: 1.1778362307164714
Energy: 1.0649816027979804
Energy: 1.1778362307164714
Energy: 1.0649816027979804
Energy: 1.1778362307164714
Energy: 1.1747864897393174
Energy: 0.9856370512744167
Energy: 1.1747864897393174
Energy: 0.9856370512759414
Energy: 1.1747864897377929
Energy: 0.9856370512759414
Energy: 1.2469500778105465
Energy: 0.9854778906774593
Energy: 1.246950077812071
Energy: 0.9854778906759348
Energy: 1.246950077812071
Energy: 0.9854778906774593
Energy: 1.1949568882813197
Energy: 1.2446610166709848
Energy: 1.1949568882782704
Energy: 1.2446610166709848
Energy: 1.1949568882782704
Energy: 1.2446610166709848
Energy: 1.11163545627893
Energy: 1.0567560268929526
Energy: 1.1116354562774051
Energy: 1.0567560268929526
Energy: 1.11163545627893
Energy: 1.0567560268929526
Energy: 1.0411193069663471
Energy: 1.0220875068808546
Energy: 1.0411193069663471
Energy: 1.0220875068823445
Energy: 1.0411193069663471
Energy: 1.0220875068808546
Energy: 1.1279870459215602
Energy: 1.064690783443139
Energy: 1.1279870459215602
Energy: 1.0646907841700552
Energy: 1.1279870459200358
Energy: 1.0646907844976685
Energy: 1.158350888188232
Energy: 1.191059163169912
Energy: 1.158350888188232
Energy: 1.191059163169912
Energy: 1.158350888188232
Energy: 1.1910591631683876
Energy: 1.0628706272773305
Energy: 0.9856508023455806
Energy: 1.0628706272773305
Energy: 0.9856508023455806
Energy: 1.0628706272773305
Energy: 0.9856508023455806
Energy: 1.244585139847375
Energy: 1.126331995436755
Energy: 1.2445851398489
Energy: 1.1263319954352304
Energy: 1.2445851398489
Energy: 1.1263319954352304

minimum gb energy = 0.9854778906759348 eV
minimum distance =  2.2477248179996 Angstroms
sigma value = 9


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

Energy: 1.0398682378087751
Energy: 1.0171842312066743
Energy: 1.0398682378100603
Energy: 1.0171842312071027
Energy: 1.0398682378087751
Energy: 1.0171842312066743
Energy: 0.9961776529843556
Energy: 0.916515616795691
Energy: 0.996177652989457
Energy: 0.9165156167961193
Energy: 0.9961776529869257
Energy: 0.9165156167961193
Energy: 0.9275967828118927
Energy: 1.0260403538306204
Energy: 0.9275967828114643
Energy: 1.0260403538301919
Energy: 0.9275967828127494
Energy: 1.0260403538306204
Energy: 0.9443611330734099
Energy: 0.9066990324006943
Energy: 0.9443611330716962
Energy: 0.9066990324002658
Energy: 0.9443611330734099
Energy: 0.9066990323998374
Energy: 1.0213394193159993
Energy: 0.9857920214292968
Energy: 1.0213394193155707
Energy: 0.9857920214284399
Energy: 1.021339419314714
Energy: 0.9857920214292968
Energy: 1.0268088829103164
Energy: 1.0023062400432325
Energy: 1.026808882911173
Energy: 1.0404430257750115
Energy: 1.0268088829107447
Energy: 1.0404430257737263
Energy: 0.9586085489319539
Energy: 1.0254965772476372
Energy: 0.9586085489276703
Energy: 1.0254965772506357
Energy: 0.9586085489289554
Energy: 1.0254965772472089
Energy: 0.8850770156718318
Energy: 1.0238703229223907
Energy: 0.8850770156714033
Energy: 1.023870322921534
Energy: 0.88507701567226
Energy: 1.0238703229211055
Energy: 1.0395689716426744
Energy: 0.9831638211932108
Energy: 1.0395689716426744
Energy: 0.9831638211940674
Energy: 1.0395689716405323
Energy: 0.9831638211936392
Energy: 1.030928236503638
Energy: 0.9475605689209938
Energy: 1.03092823650578
Energy: 0.9475605689235642
Energy: 1.0309282365049233
Energy: 0.9475605689235642
Energy: 0.9443821987802529
Energy: 0.9125592955664017
Energy: 0.9443821987802529
Energy: 0.9125592955659734
Energy: 0.9443821987806813
Energy: 0.9125592955659734
Energy: 0.9731311161742837
Energy: 0.9785240671635249
Energy: 0.9731311161738553
Energy: 0.9785240671626682
Energy: 0.973131116174712
Energy: 0.9785240671635249
Energy: 0.9921279369493369
Energy: 0.9961759340693928
Energy: 0.9921279369493369
Energy: 0.9961759340711063
Energy: 0.9921279369506221
Energy: 0.9961759340728199
Energy: 1.0371861290922275
Energy: 1.014287204790964
Energy: 1.0371861290926558
Energy: 1.014287204790107
Energy: 1.037186129093941
Energy: 1.014287204790964
Energy: 0.9212713659133005
Energy: 1.0164926722867265
Energy: 0.9212713659133005
Energy: 1.0164926722867265
Energy: 0.9212713659133005
Energy: 1.016492672287155
Energy: 0.9373004857978571
Energy: 1.0166167279494542
Energy: 0.9373004857974288
Energy: 1.0166167279477407
Energy: 0.9373004857978571
Energy: 1.016616727948169
Energy: 1.2100587619870153
Energy: 0.9072964526615664
Energy: 1.2100587619874434
Energy: 0.9072964526594245
Energy: 1.2100587619870153
Energy: 0.9072964526589962
Energy: 0.9350665920368803
Energy: 0.9800094849258498
Energy: 0.9350665920373087
Energy: 0.9800094849262783
Energy: 0.9350665920373087
Energy: 0.9800094849262783
Energy: 0.8821002252563668
Energy: 1.213097929918367
Energy: 0.8821002252529399
Energy: 1.2130979299192237
Energy: 0.8821002252537966
Energy: 1.2130979299200804
Energy: 1.095911868805288
Energy: 0.950270593784296
Energy: 1.0959118688048597
Energy: 0.9956202604238092
Energy: 1.0959118688048597
Energy: 0.9110772179160184
Energy: 0.8821123092559547
Energy: 1.2125568402710445
Energy: 0.8821123092550981
Energy: 1.212556840270616
Energy: 0.8821123092546697
Energy: 1.2125568402714728
Energy: 0.9350921968804552
Energy: 0.9803406687647179
Energy: 0.9350921968813118
Energy: 0.9803406687642895
Energy: 0.9350921968808836
Energy: 0.9803406687642895
Energy: 1.21009875325593
Energy: 0.9072515773571116
Energy: 1.2100987532542165
Energy: 0.907251577356683
Energy: 1.210098753255073
Energy: 0.907251577356683
Energy: 0.9379006270190118
Energy: 0.9601379460579107
Energy: 0.9379006270194402
Energy: 0.9601379460587676
Energy: 0.9379006270194402
Energy: 0.9601379460583391
Energy: 0.9212143807856248
Energy: 1.0170621290228516
Energy: 0.9212143807873384
Energy: 1.0170621290232797
Energy: 0.9212143807856248
Energy: 1.0170621290232797
Energy: 1.0370275368731199
Energy: 1.0142944501341424
Energy: 1.0370275368688362
Energy: 1.0142944501341424
Energy: 1.03702753687055
Energy: 1.0142944501345705
Energy: 0.9920399434538363
Energy: 0.9961693046967044
Energy: 0.9920399434546929
Energy: 0.9961693047001313
Energy: 0.9920399434538363
Energy: 0.9961693046937057
Energy: 0.9730987564223703
Energy: 0.9154893283822273
Energy: 0.9730987564215137
Energy: 0.915489328381799
Energy: 0.9730987564223703
Energy: 0.915489328381799
Energy: 0.9444155526746443
Energy: 0.9124952325904782
Energy: 0.9444155526742157
Energy: 0.9124952325909066
Energy: 0.9444155526750725
Energy: 0.9124952325909066
Energy: 1.0310476447587036
Energy: 0.884752330897275
Energy: 1.0310476447574184
Energy: 0.8847523308989885
Energy: 1.0310476447565617
Energy: 0.8847523308985602
Energy: 1.0394553366722155
Energy: 0.9825176531652822
Energy: 1.0394553366713588
Energy: 0.9825176531648538
Energy: 1.0394553366713588
Energy: 0.9825176531652822
Energy: 0.8850530410709355
Energy: 1.0238765917307422
Energy: 0.8850530410717923
Energy: 1.0238765917311705
Energy: 0.8850530410709355
Energy: 1.0238765917307422
Energy: 0.9587268273108709
Energy: 1.0233863444654472
Energy: 0.9587268273100142
Energy: 1.023386344466265
Energy: 0.9587268273112993
Energy: 1.0233863444658364
Energy: 1.0271108540778144
Energy: 0.9410173310211554
Energy: 1.0271108540782425
Energy: 0.9410173310202987
Energy: 1.0271108540782425
Energy: 0.9410173310220121
Energy: 1.0214060709701234
Energy: 0.9835204058718547
Energy: 1.0214060709714083
Energy: 0.9835204058718547
Energy: 1.0214060709701234
Energy: 0.9835204058718547
Energy: 0.9443693955781077
Energy: 0.9062771582473417
Energy: 0.9443693955781077
Energy: 0.9062771582477701
Energy: 0.9443693955781077
Energy: 0.9062771582473417
Energy: 0.9274864311240146
Energy: 1.0259076405925893
Energy: 0.9274864311265848
Energy: 1.0259076405930176
Energy: 0.9274864311261564
Energy: 1.0259076405925893
Energy: 0.9959778837801296
Energy: 0.9714233921478079
Energy: 0.9959778837805581
Energy: 0.9714233921482364
Energy: 0.9959778837814147
Energy: 0.9714233921495216
Energy: 1.0398682378117736
Energy: 1.0171842312058175
Energy: 1.0398682378117736
Energy: 1.0171842312062458
Energy: 1.0398682378117736
Energy: 1.0171842312058175
Energy: 0.9961776530048785
Energy: 0.9165156167982614
Energy: 0.9961776529984528
Energy: 0.9165156167978329
Energy: 0.9961776530027366
Energy: 0.9165156167978329
Energy: 0.9275967828144629
Energy: 1.0260403538349039
Energy: 0.9275967828144629
Energy: 1.0260403538344756
Energy: 0.927596782815748
Energy: 1.0260403538340472
Energy: 0.9443611330708395
Energy: 0.9066990324011226
Energy: 0.9443611330712677
Energy: 0.9066990324011226
Energy: 0.9443611330734099
Energy: 0.9066990324011226
Energy: 1.021339419316856
Energy: 0.9857920214297251
Energy: 1.0213394193172844
Energy: 0.9857920214284399
Energy: 1.021339419318141
Energy: 0.9857920214288683

minimum gb energy = 0.8821002252529399 eV
minimum distance =  2.30434232018997 Angstroms
sigma value = 57


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

Energy: 0.4376982116044589
Energy: 0.4501693332127433
Energy: 0.4376982116044589
Energy: 0.4501693332127433
Energy: 0.4376982116044589
Energy: 0.4501693332127433
Energy: 0.5788168995791255
Energy: 0.6343985908722433
Energy: 0.5788168995781504
Energy: 0.6343985908722433
Energy: 0.5788168995781504
Energy: 0.6343985908732185
Energy: 0.4996989763735122
Energy: 0.5631624898402349
Energy: 0.49969897637448735
Energy: 0.5631624898402349
Energy: 0.49969897637448735
Energy: 0.5631624898402349
Energy: 0.45264256083364307
Energy: 0.43715504251658666
Energy: 0.45264256083364307
Energy: 0.4371550425156115
Energy: 0.45264256083364307
Energy: 0.43715504251658666
Energy: 0.579067440459562
Energy: 0.5836536102415951
Energy: 0.579067440459562
Energy: 0.5836536102415951
Energy: 0.579067440459562
Energy: 0.5836536102415951
Energy: 0.43749747928075433
Energy: 0.502392142623641
Energy: 0.43749747928075433
Energy: 0.502392142624616
Energy: 0.43749747928075433
Energy: 0.502392142624616
Energy: 0.43745892768185
Energy: 0.5019395335589938
Energy: 0.43745892768185
Energy: 0.5019395335599689
Energy: 0.43745892768185
Energy: 0.5019395335599689
Energy: 0.579059809482844
Energy: 0.5836421175904661
Energy: 0.579059809482844
Energy: 0.5836421175904661
Energy: 0.579059809482844
Energy: 0.5836421175904661
Energy: 0.4526456718065332
Energy: 0.43711909189819714
Energy: 0.452645671804583
Energy: 0.437119091897222
Energy: 0.4526456718055581
Energy: 0.43711909189819714
Energy: 0.5016182782847798
Energy: 0.5629830536619793
Energy: 0.5016182782857549
Energy: 0.5629830536619793
Energy: 0.5016182782847798
Energy: 0.5629830536619793
Energy: 0.5788270721968967
Energy: 0.6344414612401327
Energy: 0.5788270721968967
Energy: 0.6344414612401327
Energy: 0.5788270721968967
Energy: 0.6344414612401327
Energy: 0.4376982116044589
Energy: 0.4501693332127433
Energy: 0.4376982116044589
Energy: 0.4501693332127433
Energy: 0.4376982116044589
Energy: 0.4501693332127433
Energy: 0.5788168995791255
Energy: 0.6343985908732185
Energy: 0.5788168995791255
Energy: 0.6343985908732185
Energy: 0.5788168995781504
Energy: 0.6343985908741936
Energy: 0.49969897637448735
Energy: 0.5631624898412099
Energy: 0.4996989763735122
Energy: 0.5631624898402349
Energy: 0.49969897637448735
Energy: 0.5631624898402349
Energy: 0.45264256083364307
Energy: 0.4371550425156115
Energy: 0.4526425608346182
Energy: 0.43715504251658666
Energy: 0.45264256083364307
Energy: 0.43715504251658666
Energy: 0.579067440459562
Energy: 0.5836536102415951
Energy: 0.579067440459562
Energy: 0.5836536102415951
Energy: 0.579067440459562
Energy: 0.5836536102406201
Energy: 0.43749747928075433
Energy: 0.502392142624616
Energy: 0.43749747928075433
Energy: 0.502392142624616
Energy: 0.43749747927977917
Energy: 0.502392142624616
Energy: 0.43745892768185
Energy: 0.5019395335599689
Energy: 0.4374589276828251
Energy: 0.5019395335599689
Energy: 0.43745892768185
Energy: 0.5019395335599689
Energy: 0.579059809482844
Energy: 0.5836421175904661
Energy: 0.579059809482844
Energy: 0.5836421175904661
Energy: 0.579059809482844
Energy: 0.583642117589491

minimum gb energy = 0.437119091897222 eV
minimum distance =  2.40464726838419 Angstroms
sigma value = 11


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

Energy: 0.8774746228316914
Energy: 1.0036540287312865
Energy: 0.8774746228302629
Energy: 1.0036540287312865
Energy: 0.8774746228316914
Energy: 1.0036540287312865
Energy: 1.0241510195512455
Energy: 0.8771037535719274
Energy: 1.0241510195505312
Energy: 0.8771037535719274
Energy: 1.0241510195512455
Energy: 0.8771037535719274
Energy: 0.8917255821235244
Energy: 1.1565021183468378
Energy: 1.0402946120487524
Energy: 1.1565021183489808
Energy: 1.0402946120501813
Energy: 1.1565021183482664
Energy: 1.0225061463520497
Energy: 0.7889896942877488
Energy: 1.0225061463527638
Energy: 0.788989694288463
Energy: 1.0225061463520497
Energy: 0.7889896942877488
Energy: 0.7894262756334032
Energy: 0.757037608388906
Energy: 0.7894262756341175
Energy: 0.7570376083881917
Energy: 0.7894262756348318
Energy: 0.7570376083881917
Energy: 0.9306491515212888
Energy: 0.78230642606075
Energy: 0.9306491515227173
Energy: 0.7823064260600356
Energy: 0.9306491515234316
Energy: 0.78230642606075
Energy: 0.7631369559999214
Energy: 0.8376677794172867
Energy: 0.7631369559984927
Energy: 0.8376677794158581
Energy: 0.7631369560027785
Energy: 0.8376677794151438
Energy: 1.0014517666467997
Energy: 0.72487619725199
Energy: 1.0014517666475138
Energy: 0.72487619725199
Energy: 1.0014517666460852
Energy: 0.7248761972527044
Energy: 0.9132677558900352
Energy: 0.7289055796329197
Energy: 0.9132677558893209
Energy: 0.7289055796329197
Energy: 0.9132677558907495
Energy: 0.7289055796336341
Energy: 0.7427405257415091
Energy: 1.083900179072277
Energy: 0.7427405257400805
Energy: 1.0839001790737057
Energy: 0.7427405257415091
Energy: 1.0839001790744198
Energy: 0.9453412891020988
Energy: 0.953450847569421
Energy: 0.9453412891035274
Energy: 0.9534508475701353
Energy: 0.9453412891035274
Energy: 0.9534508475701353
Energy: 0.7889570801945617
Energy: 0.7602940900141787
Energy: 0.7889570801924186
Energy: 0.7602940900134645
Energy: 0.7889570801924186
Energy: 0.7602940900134645
Energy: 1.0242367273378565
Energy: 0.7951915100799579
Energy: 1.0242367273378565
Energy: 0.7951915100792436
Energy: 1.024236727338571
Energy: 0.7951915100792436
Energy: 0.9802983612361884
Energy: 1.123949167009216
Energy: 0.9802983612361884
Energy: 1.1239491670099306
Energy: 0.9802983612354742
Energy: 1.1239491670106447
Energy: 1.0230154486345229
Energy: 0.8797933149856442
Energy: 1.0230154486345229
Energy: 0.8797933149849299
Energy: 1.023015448636666
Energy: 0.8797933149849299
Energy: 0.8335135460198577
Energy: 0.9987673790066998
Energy: 0.8335135460205723
Energy: 0.9987673790066998
Energy: 0.8335135460198577
Energy: 0.9987673790066998
Energy: 0.8876472409252834
Energy: 0.8669946884979852
Energy: 0.8876472409252834
Energy: 0.8669946884979852
Energy: 0.8876472409238547
Energy: 0.8669946884986995
Energy: 1.2332732343009811
Energy: 0.8853146400374935
Energy: 1.233273234303124
Energy: 0.8853146400367791
Energy: 1.2332732343024095
Energy: 0.8853146400389221
Energy: 0.936469123669763
Energy: 0.7847284359129993
Energy: 0.9364691236690487
Energy: 0.7847284359137136
Energy: 0.9364691236690487
Energy: 0.7847284359137136
Energy: 0.7894583550839922
Energy: 0.8956976262101924
Energy: 0.789458355078992
Energy: 0.8956976262101924
Energy: 0.7894583550868494
Energy: 0.8956976262101924
Energy: 0.7431711678826084
Energy: 0.7854291276818506
Energy: 0.7431711678818941
Energy: 0.7854291276818506
Energy: 0.7431711678826084
Energy: 0.7854291276811363
Energy: 0.801438461284937
Energy: 0.836372667157138
Energy: 0.801438461284937
Energy: 0.8363726671585666
Energy: 0.8014384612842227
Energy: 0.8363726671564238
Energy: 0.8079012808650028
Energy: 0.9007133092815685
Energy: 0.8079012808721457
Energy: 0.9007133092822827
Energy: 0.8079012808721457
Energy: 0.9007133092815685
Energy: 0.9105866719582516
Energy: 0.7745426177497851
Energy: 0.9105866719582516
Energy: 0.7745426177497851
Energy: 0.9105866719589659
Energy: 0.7745426177497851
Energy: 0.7430295706979486
Energy: 1.0843904136093792
Energy: 0.7430295706979486
Energy: 1.0843904136043792
Energy: 0.7430295706979486
Energy: 1.084390413608665
Energy: 1.3933159233236867
Energy: 0.953853837248222
Energy: 1.3933159233229724
Energy: 0.9538538372496506
Energy: 1.3933159233222583
Energy: 0.9538538372489362

minimum gb energy = 0.72487619725199 eV
minimum distance =  2.30961913805334 Angstroms
sigma value = 41


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

Energy: 0.9779552487209441
Energy: 0.8440465712476287
Energy: 0.9779552487209441
Energy: 0.8440465712476287
Energy: 0.9779552487209441
Energy: 0.8440465712481917
Energy: 1.1063857305481382
Energy: 1.0401753173143968
Energy: 1.1063857305481382
Energy: 1.0401753173160857
Energy: 1.1063857305481382
Energy: 1.0401753173149595
Energy: 0.9677469699640987
Energy: 1.0011114480490482
Energy: 0.9677469699635356
Energy: 1.0011114480490482
Energy: 0.9677469699635356
Energy: 1.0011114480484853
Energy: 0.8994080606690248
Energy: 0.8359285261015456
Energy: 0.8994080606707139
Energy: 0.8359285261021084
Energy: 0.8994080606701509
Energy: 0.8359285261021084
Energy: 0.8180987948242496
Energy: 0.8815221886367899
Energy: 0.8180987948248125
Energy: 0.8815221886367899
Energy: 0.8180987948242496
Energy: 0.8815221886367899
Energy: 1.072658984189765
Energy: 1.0523289141282832
Energy: 1.072658984189765
Energy: 1.0523289141271575
Energy: 1.072658984190328
Energy: 1.0523289141288463
Energy: 0.830456950616246
Energy: 1.1785510249948525
Energy: 0.830456950615683
Energy: 1.1785510249954154
Energy: 0.830456950615683
Energy: 1.1785510249954154
Energy: 0.8104811502618978
Energy: 0.8359521378527824
Energy: 0.8104811502618978
Energy: 0.8359521378522193
Energy: 0.8104811502602088
Energy: 0.8359521378527824
Energy: 0.8250645824025832
Energy: 0.8655803718212353
Energy: 0.8250645824031461
Energy: 0.8655803718212353
Energy: 0.8250645824025832
Energy: 0.8655803718212353
Energy: 0.8955028660638997
Energy: 0.923998397472274
Energy: 0.8955028660638997
Energy: 0.923998397470585
Energy: 0.8955028660638997
Energy: 0.9239983974767269
Energy: 0.8892383003359767
Energy: 0.9284970376653398
Energy: 0.8892383003354138
Energy: 0.9284970376642138
Energy: 0.8892383003359767
Energy: 0.9284970376653398
Energy: 0.7967926963023797
Energy: 1.0398385289294716
Energy: 0.7967926963023797
Energy: 1.0398385289294716
Energy: 0.7967926963018166
Energy: 1.0398385289294716
Energy: 0.8102609851245629
Energy: 0.8304216255704328
Energy: 0.8102609851234368
Energy: 0.8304216255698696
Energy: 0.8102609851251259
Energy: 0.8304216255704328
Energy: 0.7794950405898777
Energy: 0.9164839382082374
Energy: 0.7794950405904407
Energy: 0.9164839382076744
Energy: 0.7794950405898777
Energy: 0.9164839382088004
Energy: 1.074028379005272
Energy: 1.0556349215378884
Energy: 1.0740283790047092
Energy: 1.0556349215378884
Energy: 1.074028379005272
Energy: 1.0556349215378884
Energy: 0.7781181643451602
Energy: 1.0733553427807054
Energy: 0.7781181643440344
Energy: 1.1487985707711845
Energy: 0.7781181643451602
Energy: 1.0604919429183737
Energy: 0.8484737917877544
Energy: 0.8303185840301884
Energy: 0.8484737917877544
Energy: 0.8303185840296253
Energy: 0.8484737917877544
Energy: 0.8303185840296253
Energy: 0.8621436759010176
Energy: 1.000174412650609
Energy: 0.8621436759010176
Energy: 1.000174412650046
Energy: 0.8621436759004546
Energy: 1.000174412650609
Energy: 0.91791301783019
Energy: 1.041722298621204
Energy: 0.9179130178296268
Energy: 1.0417222986217674
Energy: 0.9179130178296268
Energy: 1.0417222986217674
Energy: 0.8885296662009433
Energy: 1.0570989870428464
Energy: 0.8885296662015063
Energy: 1.0185803154174027
Energy: 0.8885296662020693
Energy: 1.0570989870428464
Energy: 0.8267063260328296
Energy: 0.9108895312594074
Energy: 0.8267063260333926
Energy: 0.9108895312599703
Energy: 0.8267063260328296
Energy: 0.9108895312577185
Energy: 0.8647855791339306
Energy: 0.9994310009323651
Energy: 0.8647855791328046
Energy: 0.9994310009301132
Energy: 0.8647855791356197
Energy: 0.9994310009295501
Energy: 0.8984022814831875
Energy: 0.8295221145521647
Energy: 0.8984022814826245
Energy: 0.8295221145521647
Energy: 0.8984022814837503
Energy: 0.8295221145521647
Energy: 0.7782892065588726
Energy: 1.0711413937706151
Energy: 0.7782892065594356
Energy: 1.0711413937700525
Energy: 0.7782892065594356
Energy: 1.0711413937706151
Energy: 0.7868257865311504
Energy: 1.071459474148115
Energy: 0.7868257865317133
Energy: 1.0714594741605008
Energy: 0.7868257865322763
Energy: 1.0714594741627528
Energy: 0.8289367839392389
Energy: 0.8805857963504001
Energy: 0.8289367839398019
Energy: 0.9716210967419098
Energy: 0.8289367839392389
Energy: 0.918185347492428
Energy: 0.8153735483263151
Energy: 0.8295213379095987
Energy: 0.8153735483268783
Energy: 0.8295213379090358
Energy: 0.8153735483263151
Energy: 0.8295213379090358
Energy: 0.8224639355342179
Energy: 0.9101200598665857
Energy: 0.8224639355336549
Energy: 0.9876777109651191
Energy: 0.8224639355336549
Energy: 0.9876777109544734
Energy: 0.8888321790866324
Energy: 1.0549492642012692
Energy: 0.8888321790866324
Energy: 1.0549492642018323
Energy: 0.8888321790860695
Energy: 1.0549492642018323
Energy: 0.9805030329168928
Energy: 0.8387545362692667
Energy: 0.980503032908448
Energy: 0.9297586431959296
Energy: 0.9805030329129518
Energy: 0.8726987579357663
Energy: 0.8005049791698992
Energy: 1.0150610258250996
Energy: 0.8005049791693362
Energy: 1.0150610258250996
Energy: 0.8005049791693362
Energy: 1.0150610258250996
Energy: 0.8359752431027134
Energy: 0.8639059032223733
Energy: 0.8359752431038393
Energy: 0.8639059032229363
Energy: 0.8359752431027134
Energy: 0.8639059032223733
Energy: 0.7858973143971205
Energy: 0.8602271652880057
Energy: 0.7858973143982465
Energy: 0.8602271652880057
Energy: 0.7858973143976835
Energy: 0.8602271652885687

minimum gb energy = 0.7781181643440344 eV
minimum distance =  2.32906090439341 Angstroms
sigma value = 33


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

Energy: 1.0964861380857023
Energy: 0.9572084318032115
Energy: 1.0476882540989214
Energy: 0.9572084318032115
Energy: 1.0964861380857023
Energy: 0.9572084318091739
Energy: 1.2213910229034777
Energy: 0.9311694427760296
Energy: 1.221391022904268
Energy: 0.9311694427764606
Energy: 1.2213910229023281
Energy: 0.9311694427649666
Energy: 1.0076624998911285
Energy: 1.014762505175722
Energy: 1.0076624998978096
Energy: 1.0147625051768714
Energy: 1.0076624998914878
Energy: 1.0147625051733515
Energy: 1.0414258256686413
Energy: 0.9611270607319101
Energy: 1.0414258256702218
Energy: 0.9611270607322694
Energy: 1.0414258256694315
Energy: 0.9611270607295395
Energy: 1.0053043212055697
Energy: 1.1461945552855752
Energy: 1.005300483168884
Energy: 1.1461945552855752
Energy: 1.0053043212052106
Energy: 1.1461945552867965
Energy: 1.02394280991092
Energy: 0.8827331660040774
Energy: 1.0239428099093395
Energy: 0.8827331660044364
Energy: 1.023942809910561
Energy: 0.882733165998905
Energy: 0.9729027607541633
Energy: 0.9721334384299473
Energy: 0.9729027607529421
Energy: 0.9721334384303784
Energy: 0.9729027607537324
Energy: 0.9721334384331083
Energy: 0.9973253365848187
Energy: 1.1134930987857754
Energy: 0.9973253365828789
Energy: 1.1134930987854161
Energy: 0.9973253365852496
Energy: 1.1134930987885052
Energy: 1.0814998484086995
Energy: 0.9514596289670856
Energy: 1.081682090625959
Energy: 0.9514596289666544
Energy: 1.0814998484094898
Energy: 0.9514596289627033
Energy: 1.0939897207906653
Energy: 0.9546254367208236
Energy: 1.093989720790234
Energy: 0.9546254367211828
Energy: 1.0939897207878635
Energy: 0.9546254367145017
Energy: 1.0327989164299856
Energy: 0.9280537015713011
Energy: 1.032798916429195
Energy: 0.9280537015709418
Energy: 1.0327989164307758
Energy: 0.9280537015705108
Energy: 1.1685718755536822
Energy: 0.960941629402829
Energy: 1.1685718755536822
Energy: 0.960941629402829
Energy: 1.1685718755528918
Energy: 0.9609416294087917
Energy: 0.9098662029489708
Energy: 1.0755825612134937
Energy: 0.9098662029473904
Energy: 1.0755825612138532
Energy: 0.9098662029486116
Energy: 1.075582561217445
Energy: 1.084550738586209
Energy: 1.0426373548721901
Energy: 1.0845532020371422
Energy: 1.0426373548721901
Energy: 1.08455073858585
Energy: 1.0426373548761412
Energy: 1.0718376724206866
Energy: 0.9174317661648125
Energy: 1.071837338040957
Energy: 0.9174317661648125
Energy: 1.0718376724206866
Energy: 0.9174317661589219
Energy: 0.9309996874903577
Energy: 1.2278085405289672
Energy: 0.9309996874820964
Energy: 1.2278085405293266
Energy: 0.9309996874899986
Energy: 1.2278085405285364
Energy: 1.0371490112354407
Energy: 0.9508421395736608
Energy: 1.0371490112354407
Energy: 0.9508421395736608
Energy: 1.0371490112453545
Energy: 0.9508421395712902
Energy: 0.9549257368090017
Energy: 1.0174453775371262
Energy: 0.9549349568600622
Energy: 1.0174453775359769
Energy: 0.9549257368090017
Energy: 1.0174453775394967
Energy: 1.0176703330225294
Energy: 0.9759010483039461
Energy: 1.0176703330225294
Energy: 0.9759010483035867
Energy: 1.0176703330225294
Energy: 0.9759010483063167
Energy: 1.0783365183871423
Energy: 0.9080472133272354
Energy: 1.0783365183887228
Energy: 0.9080472133272354
Energy: 1.0783365183879325
Energy: 0.9080472133173215
Energy: 0.9936996616692855
Energy: 1.0185687513402493
Energy: 0.993703179604831
Energy: 1.01856875133989
Energy: 0.9936996616704348
Energy: 1.0185687513355077
Energy: 0.9250586032908102
Energy: 1.2569824113041905
Energy: 0.9253165518657198
Energy: 1.2569824113041905
Energy: 0.9250586032911695
Energy: 1.2569824113089318
Energy: 0.9438167506280224
Energy: 0.9361770983516668
Energy: 0.9438167506288127
Energy: 0.9361770983516668
Energy: 0.9438167506323328
Energy: 0.9361770983548278
Energy: 0.9692108392330232
Energy: 1.1903312669525568
Energy: 0.9692108392310116
Energy: 1.1903312669525568
Energy: 0.969210839232592
Energy: 1.190331266943074
Energy: 1.0547332602618347
Energy: 0.9508000418347216
Energy: 1.054733260265786
Energy: 0.9508000418351527
Energy: 1.054733260262625
Energy: 0.9508000418386726
Energy: 0.8790670725394513
Energy: 1.0179561480113313
Energy: 0.879067072542181
Energy: 1.017956148010541
Energy: 0.8790670725394513
Energy: 1.0179561480157135
Energy: 0.9787655147032877
Energy: 0.9769584110533284
Energy: 0.9787655147056584
Energy: 0.9769584110541186
Energy: 0.9787655147032877
Energy: 0.9769584110497366
Energy: 1.0661294666534884
Energy: 1.0881922181872277
Energy: 1.0116280452331061
Energy: 1.088192218188018
Energy: 1.0661294666539192
Energy: 1.088192218185288
Energy: 0.9500215914413672
Energy: 1.042238335751066
Energy: 0.9500215914448872
Energy: 1.0422383357060954
Energy: 0.9500215914413672
Energy: 1.0422383356452478
Energy: 0.9664803185373552
Energy: 1.0879923554130182
Energy: 0.9664803185389357
Energy: 1.0879923554130182
Energy: 0.9664803185369242
Energy: 1.0879923554225008
Energy: 0.89882927950174
Energy: 0.9506361805970452
Energy: 0.8988292795009497
Energy: 0.9506361805974045
Energy: 0.89882927950174
Energy: 0.9506361806013557
Energy: 0.969461904631523
Energy: 1.14343854455161
Energy: 0.9694546835707322
Energy: 1.1434385445524002
Energy: 0.969461904631954
Energy: 1.143438544551969
Energy: 1.013832973324615
Energy: 0.8945287069670849
Energy: 1.0138329733242557
Energy: 0.8945287069667256
Energy: 1.0138329733266263
Energy: 0.8945287069769987
Energy: 1.0524642397721429
Energy: 1.042597696047027
Energy: 1.0524642397729331
Energy: 1.0425976960442969
Energy: 1.0524642397729331
Energy: 1.042597696040705
Energy: 0.9221328368019225
Energy: 1.0424692823568777
Energy: 0.922132836810615
Energy: 1.0424692823560875
Energy: 0.9221328368022815
Energy: 1.0424692823497654
Energy: 1.0074855806677887
Energy: 0.9196400417019475
Energy: 1.007793168131859
Energy: 0.9196400417023785
Energy: 1.0074855806658494
Energy: 0.9196400416968469
Energy: 0.9508785945802538
Energy: 1.2581743644013141
Energy: 0.9508785945834147
Energy: 1.2581743644013141
Energy: 0.950878594580685
Energy: 1.2581743644032537
Energy: 1.114685268336804
Energy: 0.9511935580734198
Energy: 1.1146852683372352
Energy: 0.9511935580734198
Energy: 1.1146852683372352
Energy: 0.9511935580623567
Energy: 1.034805457361392
Energy: 1.2811637149671178
Energy: 1.0348072237468346
Energy: 1.2811637149671178
Energy: 1.034805457361392
Energy: 1.2811637149588564
Energy: 0.9021171806455343
Energy: 1.076376538102255
Energy: 0.9021171806407928
Energy: 1.076376538102255
Energy: 0.902117180645175
Energy: 1.0763765381038355
Energy: 1.053207703867803
Energy: 0.996648006778969
Energy: 1.0532046944166147
Energy: 0.996648006778969
Energy: 1.0532077038674437
Energy: 0.9966480067738684
Energy: 1.1897399420697903
Energy: 0.9211056813755453
Energy: 1.1897399420666295
Energy: 0.921105681374755
Energy: 1.1897399420697903
Energy: 0.9211056813814359
Energy: 0.9206937040367745
Energy: 0.9432800576095035
Energy: 0.9206937040426654
Energy: 0.9432800576082824
Energy: 0.9206937040367745
Energy: 0.9432800576130237
Energy: 1.0755035087949805
Energy: 0.9513317383610741
Energy: 1.0755035087954115
Energy: 0.9513317383610741
Energy: 1.0755035087989315
Energy: 0.951331738359853
Energy: 0.9508523400052644
Energy: 1.1953512036869272
Energy: 0.9508542164894171
Energy: 1.1953512036877174
Energy: 0.9508523400040432
Energy: 1.1953512036948293
Energy: 0.9440104884288548
Energy: 0.935857589142012
Energy: 0.9440104884320156
Energy: 0.9358575891428021
Energy: 0.9440104884284957
Energy: 0.9358575891483337
Energy: 0.9249790078858915
Energy: 0.9832154228755914
Energy: 0.9249790078811502
Energy: 0.9832154228752322
Energy: 0.9249790078862508
Energy: 0.9832154228712812

minimum gb energy = 0.8790670725394513 eV
minimum distance =  2.32752203700898 Angstroms
sigma value = 67


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

Energy: 0.9842781998117237
Energy: 0.9421847921835298
Energy: 0.9842781998117237
Energy: 0.9421847921835298
Energy: 0.9842781998117237
Energy: 0.9421847921835298
Energy: 0.9531629308827992
Energy: 0.8924403749983817
Energy: 0.9531629308827992
Energy: 0.8924403750010224
Energy: 0.9531629308827992
Energy: 0.8924403749983817
Energy: 1.1582187474187131
Energy: 1.1106593513410892
Energy: 1.3773950659618888
Energy: 1.1106593513410892
Energy: 1.230877933544034
Energy: 1.1106593513410892
Energy: 0.9531627297562858
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: 0.9421847921861705
Energy: 0.9531629308827992
Energy: 0.8924403750010224
Energy: 0.9531629308827992
Energy: 0.8924403750010224
Energy: 0.9531629308827992
Energy: 0.8924403750010224
Energy: 1.1582187474160721
Energy: 1.1106593513410892
Energy: 1.3773950659618888
Energy: 1.1106593513410892
Energy: 1.230877933544034
Energy: 1.1106593513410892

minimum gb energy = 0.8924403749983817 eV
minimum distance =  2.34043491548799 Angstroms
sigma value = 3


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

Energy: 1.312284880809261
Energy: 1.0611707329561364
Energy: 1.312284880809261
Energy: 1.0611707329561364
Energy: 1.312284880809261
Energy: 1.0611707329561364
Energy: 1.075282806172009
Energy: 0.9985800150639804
Energy: 1.075282806172009
Energy: 0.9985800150639804
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Energy: 1.1247667969459625
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Energy: 1.1245884416991416
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Energy: 1.0031486504437415
Energy: 1.154702565752025
Energy: 1.0031486504437415
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Energy: 1.1923432569107628
Energy: 1.0736798208362859
Energy: 1.1923432569143564
Energy: 1.0736798208362859
Energy: 1.1923432569143564
Energy: 1.0736798208362859
Energy: 1.0210672217565655
Energy: 1.189705866361094
Energy: 1.0210672217565655
Energy: 1.189705866361094
Energy: 1.0210672217565655
Energy: 1.189705866361094
Energy: 1.2392863478552931
Energy: 0.9994006145148032
Energy: 1.2392863478516996
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Energy: 1.2392863478552931
Energy: 0.9994006145148032
Energy: 1.0587518391130901
Energy: 1.1330565053951083
Energy: 1.0587518391130901
Energy: 1.1330565053951083
Energy: 1.0587518391130901
Energy: 1.1330565053915147
Energy: 1.1377427820739698
Energy: 1.0006468756609948
Energy: 1.1377427820775634
Energy: 1.0006468756609948
Energy: 1.1377427820775634
Energy: 1.0006468756609948
Energy: 1.1091173094666595
Energy: 1.0723054430434995
Energy: 1.1091173094666595
Energy: 1.0723054430434995
Energy: 1.1091173094666595
Energy: 1.0723054430434995
Energy: 1.1562209345519867
Energy: 1.0456516599200256
Energy: 1.1562209345519867
Energy: 1.0456516599200256
Energy: 1.1562209345519867
Energy: 1.0456516599200256
Energy: 1.1104396125058251
Energy: 1.0822108781721895
Energy: 1.1104396125094187
Energy: 1.0822108781685962
Energy: 1.1104396125058251
Energy: 1.0822108781757833
Energy: 1.1075662149510703
Energy: 1.0596175396790342
Energy: 1.1075662149510703
Energy: 1.0596175396790342
Energy: 1.1075662149510703
Energy: 1.0596175396790342
Energy: 1.0209133134646295
Energy: 1.104208147039726
Energy: 1.020913313461036
Energy: 1.1042081470361325
Energy: 1.0209133134646295
Energy: 1.1042081470361325
Energy: 1.0857114761353945
Energy: 1.0886379663057248
Energy: 1.0857114761318665
Energy: 1.0886379663021313
Energy: 1.0857114761318665
Energy: 1.0886379663021313
Energy: 1.0720330594893028
Energy: 1.070366988803147
Energy: 1.0720330594893028
Energy: 1.0703669888102687
Energy: 1.0720330594893028
Energy: 1.070366988803147

minimum gb energy = 0.9970137273344031 eV
minimum distance =  2.30879013434153 Angstroms
sigma value = 81


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

Energy: 1.1463829894030149
Energy: 1.0921541288316274
Energy: 1.0803460909411549
Energy: 1.0921541288316274
Energy: 1.1463829894030149
Energy: 1.0921541288331071
Energy: 1.0455955383234883
Energy: 1.0279499137624868
Energy: 1.0455955383244746
Energy: 1.02794991376298
Energy: 1.045595538322995
Energy: 1.0279499137600208
Energy: 1.1710538224549696
Energy: 0.9727407185215036
Energy: 1.1698940576477626
Energy: 0.9727407185234763
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Energy: 0.9727407185234763
Energy: 1.0448704378335458
Energy: 1.1586968151043224
Energy: 1.0448704378350253
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Energy: 0.9741487700612809
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Energy: 0.9741487700578286
Energy: 1.0241173404447401
Energy: 0.9707825905843143
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Energy: 0.9707825905843143
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Energy: 0.9707825905897395
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Energy: 1.0226828989890069
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Energy: 1.0418156253258324
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Energy: 1.1348014081215945
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Energy: 1.1348014081211013
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Energy: 1.1588311492247627
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Energy: 1.1588311492262424
Energy: 0.996566947699342
Energy: 1.1588311492237762
Energy: 0.9965669476968759
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Energy: 0.974779955362564
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Energy: 1.0737876438351732
Energy: 0.9747799553670028
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Energy: 0.9713974687921221
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Energy: 0.9713974687911356
Energy: 1.1062103839221156
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Energy: 0.9750478273897318
Energy: 1.113700328674597
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Energy: 0.9750478273902251
Energy: 1.1137003286893932
Energy: 1.1498266977365188
Energy: 1.1973947506536926
Energy: 1.1498266977384917
Energy: 1.1973947506541858
Energy: 1.1498266977375051
Energy: 1.1973947506556655
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Energy: 1.0706946552008152
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Energy: 1.0706946552013084
Energy: 0.9995314911218186
Energy: 1.0706946552022947
Energy: 1.0377112734386413
Energy: 1.0229679340803266
Energy: 0.9705587199790883
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Energy: 1.0377112734381482
Energy: 1.0229679340862452
Energy: 1.0380173698223583
Energy: 0.9569680068607052
Energy: 0.9705797489502881
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Energy: 0.9569680068587771
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Energy: 1.0695293356697209
Energy: 1.0412814675724178
Energy: 1.0695293356687792
Energy: 1.0412814675743907
Energy: 1.0695293356677926
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Energy: 1.2231149129598615
Energy: 1.133471504811223
Energy: 1.2231149129598615
Energy: 1.1334715048102366
Energy: 1.2231149129603547
Energy: 0.9732379456104282
Energy: 1.324335059255204
Energy: 0.9732379456148669
Energy: 1.324335059255204
Energy: 0.9732379456114146
Energy: 1.3243350592517515
Energy: 1.0129450925624575
Energy: 1.0492554281275814
Energy: 1.012945092563444
Energy: 1.0492554281265951
Energy: 1.0129450925624575
Energy: 1.0492554281246225
Energy: 1.1016894092191614
Energy: 0.9711889229974323
Energy: 1.1016894092221206
Energy: 0.9711889229974323
Energy: 1.1016894092162022
Energy: 0.9711889229969389
Energy: 1.0227321946443306
Energy: 1.0491711424379953
Energy: 1.0241241470770155
Energy: 1.049171142437502
Energy: 1.0227321946418646
Energy: 1.0491711424360226
Energy: 0.9732911686277221
Energy: 0.9968558181214595
Energy: 0.9732911686287086
Energy: 0.9968558181214595
Energy: 0.9732911686277221
Energy: 0.9968558181194868
Energy: 1.158237046208059
Energy: 1.1591658897421637
Energy: 1.1582370462055929
Energy: 1.1591658897461095
Energy: 1.1582370462075657
Energy: 1.1591658897431503
Energy: 0.9753198921079511
Energy: 1.0697128292678926
Energy: 0.975319892110417
Energy: 1.0697128292683857
Energy: 0.9753198921084443
Energy: 1.0697128292722866
Energy: 0.9710813700357848
Energy: 1.0237889346530473
Energy: 0.9710813700357848
Energy: 1.0237889346535407
Energy: 0.9710813700362778
Energy: 1.0237889346505813
Energy: 0.9739970153561975
Energy: 0.9536249449843494
Energy: 0.9739970153611295
Energy: 0.9536249449843494
Energy: 0.9739970153561975
Energy: 0.9536249449882949
Energy: 1.1690407621183105
Energy: 1.3055170087660204
Energy: 1.1684738880343934
Energy: 1.305517008767007
Energy: 1.1690407621183105
Energy: 1.3055170087635544
Energy: 1.1961781942451604
Energy: 1.1512736336531377
Energy: 1.196178194244174
Energy: 1.151273633648206
Energy: 1.1961781942451604
Energy: 1.1512736336526448
Energy: 1.024918053254602
Energy: 1.0018362726058336
Energy: 1.0249180532555884
Energy: 1.0018362726058336
Energy: 1.024918053254602
Energy: 1.0018362726028744
Energy: 1.0213370247605265
Energy: 0.9705197059306093
Energy: 1.0213370247624993
Energy: 0.970519705930116
Energy: 1.0213370247605265
Energy: 0.9705197059320888

minimum gb energy = 0.9536249449843494 eV
minimum distance =  2.37851326275926 Angstroms
sigma value = 43


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

Energy: 1.2604962513917464
Energy: 1.0267068503860917
Energy: 1.2604962513917464
Energy: 1.0267068503860917
Energy: 1.2604962513911409
Energy: 1.0267068503860917
Energy: 1.0976428775816403
Energy: 0.9980050292881776
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Energy: 0.9980050292881776
Energy: 1.0976428775822462
Energy: 0.9980050292881776
Energy: 1.0968160955813069
Energy: 1.2077592472013672
Energy: 1.0968160955819128
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Energy: 1.0968160955813069
Energy: 1.2077592472013672
Energy: 0.9991121327232181
Energy: 1.03505887166655
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Energy: 1.0350588716653386
Energy: 0.9991121327226123
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Energy: 1.094212277260073
Energy: 1.0832057969067892
Energy: 1.0942122772612846
Energy: 1.083205796907395
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Energy: 1.0703208225645262
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Energy: 1.1392795783643037
Energy: 1.0422183222640833
Energy: 1.1392795783649097
Energy: 1.0422183222634773
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Energy: 0.9798465845647131
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Energy: 1.0738178795698907
Energy: 1.037067649859979
Energy: 1.0738178795704965
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Energy: 1.073817879569285
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Energy: 1.0369645518575
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Energy: 1.1409043568638864
Energy: 1.0705632846498474
Energy: 1.1409043568657036
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Energy: 0.9770074547587704
Energy: 1.199738110015785
Energy: 0.9770074547581644
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Energy: 0.9770074547593761
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Energy: 1.0842048176921593
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Energy: 1.0842048176927375
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Energy: 1.0842048176921593
Energy: 1.0535969510750864
Energy: 1.1182106792789455
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Energy: 1.1182106792789455
Energy: 1.053596951075692
Energy: 1.1182106792789455
Energy: 1.1173116865352504
Energy: 0.9973969853557045
Energy: 1.1173116865352504
Energy: 0.9973969853550989
Energy: 1.1173116865352504
Energy: 0.9973969853550989
Energy: 1.1420825266791916
Energy: 1.049611054163516
Energy: 1.1420825266791916
Energy: 1.0496110541629102
Energy: 1.1420825266797974
Energy: 1.049611054163516
Energy: 1.1551812238904833
Energy: 1.0214169283234487
Energy: 1.1551812238910888
Energy: 1.0214169283234487
Energy: 1.1551812238910888
Energy: 1.0214169283234487
Energy: 1.1188245067123124
Energy: 1.1362192678109249
Energy: 1.1188245067123124
Energy: 1.1362192678109249
Energy: 1.1188245067117064
Energy: 1.1362192678109249
Energy: 1.0531697814624694
Energy: 1.071857535397917
Energy: 1.0531697814618637
Energy: 1.071857535397917
Energy: 1.0531697814624694
Energy: 1.071857535397917
Energy: 1.1560302978421675
Energy: 1.10636779949129
Energy: 1.1560302978427734
Energy: 1.10636779949129
Energy: 1.1560302978421675
Energy: 1.10636779949129
Energy: 0.9772391723527893
Energy: 1.119450853949043
Energy: 0.9772391723527893
Energy: 1.119450853949043
Energy: 0.9772391723527893
Energy: 1.119450853949043
Energy: 1.1387539477882878
Energy: 1.0704322458658053
Energy: 1.1387539477882878
Energy: 1.0704322458658053
Energy: 1.1387539477882878
Energy: 1.0704322458658053
Energy: 1.03663198729485
Energy: 1.0274341709905759
Energy: 1.0366319872942444
Energy: 1.0274341709905759
Energy: 1.03663198729485
Energy: 1.0274341709905759
Energy: 1.1721364189672283
Energy: 1.0813605101913986
Energy: 1.1721364189672283
Energy: 1.0813605101913986
Energy: 1.1721364189672283
Energy: 1.0813605101913986
Energy: 1.0796798198826527
Energy: 0.9976510912722237
Energy: 1.0796798198826527
Energy: 0.997651091271012
Energy: 1.0796798198832587
Energy: 0.9976510912704063
Energy: 1.2157482169714884
Energy: 1.0324181254154285
Energy: 1.2157482169720941
Energy: 1.0324181254154285
Energy: 1.2157482169720941
Energy: 1.0324181254148228
Energy: 1.0367044254600826
Energy: 1.0839919448566215
Energy: 1.0367044254600826
Energy: 1.0839919448560158
Energy: 1.0367044254594768
Energy: 1.0839919448566215
Energy: 1.0894030345023613
Energy: 1.0795918358631047
Energy: 1.0894030345017554
Energy: 1.079591835862499
Energy: 1.0894030345017554
Energy: 1.0795918358637107
Energy: 1.034482760338828
Energy: 1.0703419337678814
Energy: 1.0344827603394338
Energy: 1.0703419337678814
Energy: 1.034482760338828
Energy: 1.0703419337678814

minimum gb energy = 0.9770074547581644 eV
minimum distance =  2.32957821907287 Angstroms
sigma value = 57


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

Energy: 1.1345532654725798
Energy: 0.9846772792266392
Energy: 1.1345532654733643
Energy: 0.9846772792266392
Energy: 1.1345532654733643
Energy: 0.9846772792274235
Energy: 1.0458674144422273
Energy: 0.9349309733105597
Energy: 1.045867414445365
Energy: 0.9349309733105597
Energy: 1.0458674144445803
Energy: 0.9349309733105597
Energy: 1.1347533287351417
Energy: 1.1630185598094445
Energy: 1.1347533287351417
Energy: 1.163018559810229
Energy: 1.1347533287351417
Energy: 1.1630185598086604
Energy: 1.0383876099101825
Energy: 1.0734980658806064
Energy: 1.0383876099117515
Energy: 1.0734980658806064
Energy: 1.0383876099117515
Energy: 1.0734980658806064
Energy: 1.0482275592289696
Energy: 1.0720545915766309
Energy: 1.048227559229754
Energy: 1.0720545915766309
Energy: 1.048227559229754
Energy: 1.0720545915750619
Energy: 1.1449104732176136
Energy: 1.022214304214758
Energy: 1.1449104732176136
Energy: 1.0222143042139735
Energy: 1.1449104732176136
Energy: 1.0222143042139735
Energy: 1.077272880666963
Energy: 1.1611637985562089
Energy: 1.077272880666963
Energy: 1.1611637985562089
Energy: 1.0772728806661784
Energy: 1.1611637985562089
Energy: 1.038574232853396
Energy: 0.9867782229544103
Energy: 1.038574232853396
Energy: 0.9867782229544103
Energy: 1.038574232853396
Energy: 0.9867782229544103
Energy: 1.041097591792102
Energy: 0.9348857895398653
Energy: 1.0410975917928864
Energy: 0.9348857895398653
Energy: 1.0410975917928864
Energy: 0.9348857895406496
Energy: 0.9380633743523015
Energy: 1.0207154042223472
Energy: 0.938063374353086
Energy: 1.020715404221563
Energy: 0.9380633743523015
Energy: 1.020715404221563
Energy: 1.0777101107071503
Energy: 1.072826587937263
Energy: 1.077710110706366
Energy: 1.072826587937263
Energy: 1.077710110706366
Energy: 1.0728265879364784
Energy: 1.0434317539343971
Energy: 1.120098877917761
Energy: 1.0434317539343971
Energy: 1.1200988779161922
Energy: 1.0434317539343971
Energy: 1.1200988779169767
Energy: 1.089022393441579
Energy: 0.9348783071534877
Energy: 1.0890223934423633
Energy: 0.9348783071527034
Energy: 1.089022393441579
Energy: 0.9348783071527034
Energy: 1.0390211715963353
Energy: 0.9435063203212508
Energy: 1.0390211716033948
Energy: 0.9435063203212508
Energy: 1.0390211715971196
Energy: 0.9435063203212508
Energy: 1.0378167118543946
Energy: 0.9406829978177919
Energy: 1.0378167118551789
Energy: 0.9406829978185763
Energy: 1.0378167118543946
Energy: 0.9406829978177919
Energy: 1.0414313356756149
Energy: 0.9921669589793212
Energy: 1.0414313356748304
Energy: 0.9921669589793212
Energy: 1.0414313356748304
Energy: 0.9921669589793212
Energy: 0.9357618727609741
Energy: 1.0453927681601929
Energy: 0.9357618727617584
Energy: 1.0453927681601929
Energy: 0.9357618727609741
Energy: 1.0453927681601929
Energy: 1.0742212497541463
Energy: 1.0877010488847298
Energy: 1.0742212497541463
Energy: 1.0877010488847298
Energy: 1.074221249753362
Energy: 1.0877010488847298
Energy: 0.9354366442649862
Energy: 1.0453892349366425
Energy: 0.9354366442657706
Energy: 1.0453892349382112
Energy: 0.9354366442657706
Energy: 1.0453892349366425
Energy: 1.0415047469395742
Energy: 0.9920678111951419
Energy: 1.0415047469395742
Energy: 0.9920678111951419
Energy: 1.0415047469395742
Energy: 0.9920678111951419
Energy: 1.0378047681250748
Energy: 0.9407335595284676
Energy: 1.0378047681258593
Energy: 0.940733559527683
Energy: 1.0378047681250748
Energy: 0.940733559527683
Energy: 1.039044656371525
Energy: 0.9942399043744339
Energy: 1.0390446563660343
Energy: 0.9942399043736495
Energy: 1.039044656367603
Energy: 0.9942399043736495
Energy: 1.088949243969649
Energy: 0.9348171753204884
Energy: 1.088949243969649
Energy: 0.9348171753181352
Energy: 1.088949243969649
Energy: 0.934817175319704
Energy: 1.0436543421208908
Energy: 1.1202708160214225
Energy: 1.043654342121675
Energy: 1.1202708160206385
Energy: 1.043654342121675
Energy: 1.1202708160214225

minimum gb energy = 0.9348171753181352 eV
minimum distance =  2.35300559960497 Angstroms
sigma value = 17


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

Energy: 1.0917372143287343
Energy: 0.961379800735735
Energy: 1.0917372143298436
Energy: 0.961379800735735
Energy: 1.0917372143298436
Energy: 0.961379800735735
Energy: 0.9295647363305539
Energy: 0.9143470382339738
Energy: 0.9295647363305539
Energy: 0.9143470382328645
Energy: 0.9295647363305539
Energy: 0.9143470382339738
Energy: 1.045757959007752
Energy: 1.084688580250314
Energy: 1.045757959007752
Energy: 1.084688580250314
Energy: 1.0457579590088613
Energy: 1.084688580250314
Energy: 0.8714408238545198
Energy: 1.0455972818696309
Energy: 0.8714408238534105
Energy: 1.0455972818685215
Energy: 0.8714408238545198
Energy: 1.0455972818674124
Energy: 1.0612511877533088
Energy: 1.0087723608132941
Energy: 1.0612511877544182
Energy: 1.0087723608132941
Energy: 1.0612511877544182
Energy: 1.0087723608132941
Energy: 0.9723646394371604
Energy: 1.0538321514179083
Energy: 0.9723646394371604
Energy: 1.0538321514167992
Energy: 0.9723646394371604
Energy: 1.0538321514167992
Energy: 1.0214541396064687
Energy: 0.9343895093646545
Energy: 1.0214541396064687
Energy: 0.9343895093635454
Energy: 1.0214541396064687
Energy: 0.9343895093646545
Energy: 0.8717034369852008
Energy: 1.0368089134287242
Energy: 0.8717034369852008
Energy: 1.0368089134287242
Energy: 0.8717034369852008
Energy: 1.0368089134287242
Energy: 1.0167479650096045
Energy: 0.9151095207856993
Energy: 1.0167479650096045
Energy: 0.9151095207856993
Energy: 1.0167479650096045
Energy: 0.9151095207856993
Energy: 0.9905123759249335
Energy: 0.930818899570183
Energy: 0.9905123759249335
Energy: 0.9308188995712922
Energy: 0.9905123759249335
Energy: 0.9308188995712922
Energy: 0.9736155636333064
Energy: 0.9598031236804417
Energy: 0.9736155636333064
Energy: 0.9598031236804417
Energy: 0.9736155636321971
Energy: 0.9598031236804417
Energy: 0.9985535598145571
Energy: 0.9159231749945624
Energy: 0.9985535598145571
Energy: 0.9159231749934532
Energy: 0.9985535598145571
Energy: 0.9159231749934532
Energy: 0.8708136875056345
Energy: 1.0588217492783465
Energy: 0.8708136875067437
Energy: 1.0588217492783465
Energy: 0.8708136875056345
Energy: 1.0588217492783465
Energy: 0.9900280399866539
Energy: 1.0348307015641953
Energy: 0.990028039987763
Energy: 1.0348307015641953
Energy: 0.990028039987763
Energy: 1.0348307015641953
Energy: 0.971086140894029
Energy: 0.9386116859779348
Energy: 0.971086140894029
Energy: 0.9387650855634583
Energy: 0.971086140894029
Energy: 0.9386114183804605
Energy: 0.9715799581625708
Energy: 1.0630318867223665
Energy: 0.9715799581614615
Energy: 1.0630318867223665
Energy: 0.9715799581614615
Energy: 1.0630318867223665
Energy: 0.9878179225878908
Energy: 1.03459441332074
Energy: 0.9878179225867816
Energy: 1.03459441332074
Energy: 0.9878179225867816
Energy: 1.03459441332074

minimum gb energy = 0.8708136875056345 eV
minimum distance =  2.30984899378766 Angstroms
sigma value = 17


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

Energy: 0.9921830388947085
Energy: 0.8881885459248958
Energy: 0.9921830388947085
Energy: 0.888188545925324
Energy: 0.9921830388947085
Energy: 0.888188545925324
Energy: 0.8967831361642007
Energy: 0.8518364742964235
Energy: 0.8967831361616303
Energy: 0.8518364742959952
Energy: 0.8967831361629155
Energy: 0.8518364742968519
Energy: 0.972681601381885
Energy: 0.9386932314342621
Energy: 0.9726816013806
Energy: 0.9386932314342621
Energy: 0.9726816013823135
Energy: 0.9386932314342621
Energy: 0.823111675007357
Energy: 0.9163553520595371
Energy: 0.8231116750069286
Energy: 0.9163553520595371
Energy: 0.8231116750082137
Energy: 0.9163553520616401
Energy: 1.0177227551317898
Energy: 0.8503139988466323
Energy: 1.0177227551313612
Energy: 0.8503139988462041
Energy: 1.0177227551313612
Energy: 0.8503139988466323
Energy: 0.9336351323223806
Energy: 0.8653325505452436
Energy: 0.9336351323206671
Energy: 0.8653325505448152
Energy: 0.9336351323223806
Energy: 0.8653325505448152
Energy: 0.8976949023096463
Energy: 0.884446934053469
Energy: 0.8976949023066477
Energy: 0.8844469340517556
Energy: 0.89769490231393
Energy: 0.8844469340517556
Energy: 0.8981053745477987
Energy: 0.9921387829735452
Energy: 0.898105374543515
Energy: 0.9921387829748303
Energy: 0.8981053745460852
Energy: 0.9921387829752586
Energy: 0.9216572288095414
Energy: 0.9444492339220731
Energy: 0.9216572288086847
Energy: 0.9444492339220731
Energy: 0.9216572288091129
Energy: 0.9444492339216448
Energy: 0.9025447093951259
Energy: 0.8121747118089443
Energy: 0.9025447093946974
Energy: 0.8121747118093728
Energy: 0.9025447093951259
Energy: 0.8121747118089443
Energy: 0.8233606894746482
Energy: 0.9726967925255477
Energy: 0.8233606894746482
Energy: 0.9726967925242628
Energy: 0.8233606894742198
Energy: 0.9726967925251194
Energy: 0.9752588008575502
Energy: 0.8683712833038976
Energy: 0.9752588008588353
Energy: 0.8683712833051827
Energy: 0.9752588008579786
Energy: 0.8683712833047543
Energy: 0.9106456232471192
Energy: 0.8741973792538161
Energy: 0.9106456232479759
Energy: 0.8741973792542446
Energy: 0.9106456232471192
Energy: 0.8741973792538161
Energy: 0.8941924809657523
Energy: 0.9806228052260756
Energy: 0.8941924809661808
Energy: 0.9806228052260756
Energy: 0.8941924809661808
Energy: 0.9806228052260756
Energy: 0.9486431604126383
Energy: 0.9689989597830052
Energy: 0.9486431604134951
Energy: 0.9689989597830052
Energy: 0.9486431604122099
Energy: 0.9689989597834336
Energy: 0.8219094806420134
Energy: 0.9676644495881348
Energy: 0.821909480641585
Energy: 0.9676644495907051
Energy: 0.8219094806407282
Energy: 0.9676644495877066
Energy: 0.9091632390146043
Energy: 0.9174616158309244
Energy: 0.9091632390146043
Energy: 0.9174616158309244
Energy: 0.909163239014176
Energy: 0.9174616158309244
Energy: 0.9290651598762002
Energy: 0.9471169522369755
Energy: 0.9290651598706315
Energy: 0.9471169522348337
Energy: 0.9290651598766286
Energy: 0.9471169522361188
Energy: 0.8979433176973541
Energy: 0.932202433855045
Energy: 0.8979433176977824
Energy: 0.9322024338284859
Energy: 0.8979433176964973
Energy: 0.9322024338606137
Energy: 0.9078013813468285
Energy: 0.9150396603086739
Energy: 0.9078013813481136
Energy: 0.9150396603086739
Energy: 0.9078013813468285
Energy: 0.9291118179729458
Energy: 0.8980015853090489
Energy: 0.9357613762945276
Energy: 0.8980015853090489
Energy: 0.9357613762958128
Energy: 0.8980015853086207
Energy: 0.935761376299668
Energy: 0.9286408690893957
Energy: 0.9473765558565495
Energy: 0.9286408690919659
Energy: 0.9473765558539793
Energy: 0.9286408690898239
Energy: 0.9473765558522658
Energy: 0.9088896474366635
Energy: 0.9172226271916557
Energy: 0.9088896474366635
Energy: 0.9172226271916557
Energy: 0.9088896474353783
Energy: 0.917222627192084
Energy: 0.8220480908098948
Energy: 1.0016830995596042
Energy: 0.8220480908086097
Energy: 1.0016830995604609
Energy: 0.8220480908111799
Energy: 1.0016830995600325
Energy: 0.9483274391568136
Energy: 0.9673062266919257
Energy: 0.9483274391568136
Energy: 0.9673062266940675
Energy: 0.9483274391555285
Energy: 0.9673062266944961
Energy: 0.8939701502328705
Energy: 0.9808911898465587
Energy: 0.8939701502337272
Energy: 0.9808911898461301
Energy: 0.8939701502328705
Energy: 0.9808911898461301
Energy: 0.9097388209807485
Energy: 0.8742885724602402
Energy: 0.9097388209811771
Energy: 0.8742885724598116
Energy: 0.9097388209803203
Energy: 0.8742885724598116
Energy: 0.9752606973163518
Energy: 0.868400759557642
Energy: 0.97526069731678
Energy: 0.868400759557642
Energy: 0.9752606973172084
Energy: 0.8684007595580703
Energy: 0.8233550214016553
Energy: 0.9730477238049681
Energy: 0.8233550214007984
Energy: 0.9730477238058247
Energy: 0.8233550214012267
Energy: 0.9730477238028263
Energy: 0.9009967316872968
Energy: 0.9751790766824202
Energy: 0.9009967316872968
Energy: 0.975179076683277
Energy: 0.9009967316877252
Energy: 0.975179076683277
Energy: 0.9217453787682617
Energy: 0.9442555399276358
Energy: 0.9217453787665484
Energy: 0.9442555399272075
Energy: 0.9217453787674051
Energy: 0.9442555399293494
Energy: 0.897743904534518
Energy: 0.9923508081566051
Energy: 0.897743904535803
Energy: 0.9923508081553201
Energy: 0.8977439045396585
Energy: 0.9923508081561769
Energy: 0.8983046062372999
Energy: 0.8846105576069382
Energy: 0.8983046062385851
Energy: 0.8846105576052248
Energy: 0.8983046062360147
Energy: 0.8846105576077952
Energy: 0.9333388947619914
Energy: 0.8706775422022766
Energy: 0.9333388947611347
Energy: 0.8706775422018482
Energy: 0.9333388947624197
Energy: 0.8706775422022766
Energy: 1.0177866607187427
Energy: 0.8515291627970756
Energy: 1.0177866607234547
Energy: 0.8515291627970756
Energy: 1.0177866607200277
Energy: 0.8515291627970756
Energy: 0.8233351096775613
Energy: 0.9162951939300554
Energy: 0.8233351096797032
Energy: 0.9162951939291988
Energy: 0.8233351096788464
Energy: 0.9162951939287703
Energy: 0.9729694910195573
Energy: 0.9383105448378252
Energy: 0.9729694910204139
Energy: 0.9383105448373967
Energy: 0.9729694910199856
Energy: 0.9383105448373967
Energy: 0.8967580649003241
Energy: 0.8562560139439547
Energy: 0.896758064901181
Energy: 0.8562560139439547
Energy: 0.8967580649003241
Energy: 0.8562560139435261
Energy: 0.9921830388942801
Energy: 0.8881885459296079
Energy: 0.9921830388938518
Energy: 0.8881885459287512
Energy: 0.9921830388942801
Energy: 0.8881885459287512
Energy: 0.8967831361689126
Energy: 0.85183647429471
Energy: 0.8967831361671991
Energy: 0.85183647429471
Energy: 0.8967831361689126
Energy: 0.8518364742959952
Energy: 0.972681601381885
Energy: 0.9386932314346904
Energy: 0.9726816013801717
Energy: 0.9386932314342621
Energy: 0.972681601381885
Energy: 0.9386932314346904
Energy: 0.8231116750069286
Energy: 0.9409355581097838
Energy: 0.823111675007357
Energy: 0.9409355581106406
Energy: 0.8231116750077855
Energy: 0.9409355581097838
Energy: 1.0177227551305046
Energy: 0.8503139988462041
Energy: 1.0177227551305046
Energy: 0.8503139988466323
Energy: 1.0177227551296475
Energy: 0.8503139988453474

minimum gb energy = 0.8121747118089443 eV
minimum distance =  2.32832011934904 Angstroms
sigma value = 57


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

Energy: 0.9145841379297466
Energy: 0.8228863652811587
Energy: 0.9145841379297466
Energy: 0.8228863652811587
Energy: 0.9145841379304441
Energy: 0.8228863652811587
Energy: 0.9378394639935282
Energy: 0.8064606153227593
Energy: 0.9378394639921332
Energy: 0.8064606153220617
Energy: 0.9378394639942257
Energy: 0.8064606153227593
Energy: 0.918429326262434
Energy: 0.8752399593601009
Energy: 0.918429326261039
Energy: 0.8752399593601009
Energy: 0.9184293262631316
Energy: 0.8752399593601009
Energy: 0.7779718292917012
Energy: 0.8885867632570981
Energy: 0.777971813562554
Energy: 0.8885867632570981
Energy: 0.7779717806165088
Energy: 0.8885867632570981
Energy: 0.932770887960936
Energy: 0.7582771485739754
Energy: 0.932770887960936
Energy: 0.7582771485739754
Energy: 0.9327708879602387
Energy: 0.7582771485739754
Energy: 0.8778464086712847
Energy: 0.8074622268417732
Energy: 0.8778464086726797
Energy: 0.807462226840378
Energy: 0.8778464086726797
Energy: 0.8074622268410756
Energy: 0.7724864255760436
Energy: 0.8520583285850024
Energy: 0.7724864255760436
Energy: 0.8520583285863975
Energy: 0.7724864255760436
Energy: 0.852058328587095
Energy: 1.0439053178179454
Energy: 0.8411875319881261
Energy: 1.0439053178172477
Energy: 0.8411875319888237
Energy: 1.043905317815853
Energy: 0.8411875319874287
Energy: 0.8134819227798195
Energy: 0.8101599294498295
Energy: 0.8134819227784245
Energy: 0.8101599294498295
Energy: 0.8134819227791219
Energy: 0.810159929449132
Energy: 0.830412372951971
Energy: 0.825686056110055
Energy: 0.8304123729512736
Energy: 0.825686056110055
Energy: 0.830412372951971
Energy: 0.825686056110055
Energy: 0.7722219964399851
Energy: 0.9250272733731325
Energy: 0.7722219964413801
Energy: 0.925027273372435
Energy: 0.7722219964385901
Energy: 0.9250272733731325
Energy: 0.8443763400786269
Energy: 0.7801583141161239
Energy: 0.8443763400786269
Energy: 0.7801583141154265
Energy: 0.8443763400786269
Energy: 0.7801583141147289
Energy: 0.8274626917797653
Energy: 0.9285033928481418
Energy: 0.8274626917783704
Energy: 0.9285033928481418
Energy: 0.8274626917790678
Energy: 0.9285033928481418
Energy: 0.7785900305923178
Energy: 0.9647807511649449
Energy: 0.7785900305923178
Energy: 0.9647807511642474
Energy: 0.7785900305923178
Energy: 0.9647807511649449
Energy: 0.9077152139991983
Energy: 0.8171247307473595
Energy: 0.9077152139985009
Energy: 0.8171247307473595
Energy: 0.9077152139991983
Energy: 0.8171247307473595
Energy: 0.8248337820262721
Energy: 0.8251794328948923
Energy: 0.8248337820262721
Energy: 0.8251794328934973
Energy: 0.8248337820262721
Energy: 0.8251794328969847
Energy: 0.8353703271254419
Energy: 0.9368626635161601
Energy: 0.8353703271240469
Energy: 0.9368626635161601
Energy: 0.8353703271254419
Energy: 0.9368626635161601
Energy: 0.8796920042128615
Energy: 0.9035545301519751
Energy: 0.879692004212164
Energy: 0.9035545301505801
Energy: 0.879692004214954
Energy: 0.9035545301512775
Energy: 0.779948429384122
Energy: 0.9803087008498842
Energy: 0.7799484293834245
Energy: 0.9803087008498842
Energy: 0.779948429384122
Energy: 0.9803087008512792
Energy: 0.7791824571751048
Energy: 0.8789478677534744
Energy: 0.7791824571723148
Energy: 0.8789478677534744
Energy: 0.779182457169525
Energy: 0.8789478677534744
Energy: 0.86188609284718
Energy: 0.8778722621860154
Energy: 0.86188609284718
Energy: 0.8778722621874104
Energy: 0.86188609284718
Energy: 0.8778722621867129
Energy: 0.7700634030412652
Energy: 0.986782428445759
Energy: 0.7700634030391728
Energy: 0.9867824284464565
Energy: 0.7700634030398702
Energy: 0.9867824284464565
Energy: 0.8452504348876136
Energy: 0.8443766062939086
Energy: 0.8452504348890086
Energy: 0.8443766062939086
Energy: 0.8452504348876136
Energy: 0.8443766062946062
Energy: 0.8355360812906133
Energy: 0.9858040756416779
Energy: 0.8355360812892183
Energy: 0.9858040756416779
Energy: 0.8355360812892183
Energy: 0.9858040756409806
Energy: 0.8372900418490565
Energy: 1.0501042126924032
Energy: 0.8372900418483591
Energy: 1.0501042126917057
Energy: 0.8372900418455691
Energy: 1.0501042126924032
Energy: 0.8243310227044791
Energy: 0.8441175619512159
Energy: 0.8243310227051767
Energy: 0.8441175619512159
Energy: 0.8243310227044791
Energy: 0.8441175619512159
Energy: 0.7845996386706314
Energy: 0.9795394656292503
Energy: 0.7845996386699339
Energy: 0.9795394656292503
Energy: 0.7845996386699339
Energy: 0.9795394656292503

minimum gb energy = 0.7582771485739754 eV
minimum distance =  2.29197391830753 Angstroms
sigma value = 43


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

Energy: 0.7773335560545104
Energy: 0.7457820254540792
Energy: 0.7773335560545104
Energy: 0.7457820254540792
Energy: 0.7773335560545104
Energy: 0.7457820254540792
Energy: 0.8176650514924029
Energy: 0.7484450239935713
Energy: 0.8176650514924029
Energy: 0.7484450239935713
Energy: 0.8176650514924029
Energy: 0.7484450239935713
Energy: 0.8032365507067126
Energy: 0.7534824935939884
Energy: 0.803236550707729
Energy: 0.7534824935934803
Energy: 0.8032365507072208
Energy: 0.7534824935934803
Energy: 0.8455228282922705
Energy: 0.7723202318729793
Energy: 0.8455228282912544
Energy: 0.7723202318724711
Energy: 0.8455228282917624
Energy: 0.7723202318729793
Energy: 0.8135745686480862
Energy: 0.7167383019581314
Energy: 0.8135745686475779
Energy: 0.7167383019581314
Energy: 0.8135745686470697
Energy: 0.7167383019586395
Energy: 0.7615906382647625
Energy: 0.7261454189737
Energy: 0.7615906382657789
Energy: 0.7261454189737
Energy: 0.7615906382652707
Energy: 0.7261454189737
Energy: 0.687497007327584
Energy: 0.7444943548729623
Energy: 0.6874970073265675
Energy: 0.7444943548734705
Energy: 0.6874970073296167
Energy: 0.7444943548724542
Energy: 0.802892999166773
Energy: 0.7106505637440671
Energy: 0.8028929991682975
Energy: 0.7106505637445751
Energy: 0.8028929991688057
Energy: 0.7106505637440671
Energy: 0.727750833433867
Energy: 0.719020003576173
Energy: 0.7277508334343751
Energy: 0.719020003576173
Energy: 0.7277508334333589
Energy: 0.7190200035756648
Energy: 0.8178230247642635
Energy: 0.7112512681825495
Energy: 0.8178230247637552
Energy: 0.7112512681820412
Energy: 0.8178230247642635
Energy: 0.7112512681825495
Energy: 0.8790210272592522
Energy: 0.790265563442442
Energy: 0.8790210272592522
Energy: 0.7902655634434583
Energy: 0.8790210272597606
Energy: 0.7902655634393928
Energy: 0.6942595065091638
Energy: 0.7209751760914092
Energy: 0.6942595065091638
Energy: 0.7209751760919173
Energy: 0.6942595065091638
Energy: 0.7209751760914092
Energy: 0.8159242436733029
Energy: 0.6824976324349544
Energy: 0.8159242436733029
Energy: 0.6824976324349544
Energy: 0.8159242436733029
Energy: 0.6824976324349544
Energy: 0.8868647130064671
Energy: 0.8717411401697663
Energy: 0.8868647130064671
Energy: 0.8717411401697663
Energy: 0.8868647130064671
Energy: 0.8717411401697663
Energy: 0.7139408505299422
Energy: 0.7167575910417662
Energy: 0.7139408505299422
Energy: 0.7167575910422743
Energy: 0.7139408505299422
Energy: 0.7167575910427826
Energy: 0.7582172944239498
Energy: 0.753044654297333
Energy: 0.7582172944239498
Energy: 0.753044654297333
Energy: 0.758217294424458
Energy: 0.7530446542968248
Energy: 0.8933525549371566
Energy: 0.8655895682201639
Energy: 0.8933525549386812
Energy: 0.8655895682196558
Energy: 0.8933525549376646
Energy: 0.8655895682201639
Energy: 0.7319705633727598
Energy: 0.7182825449197912
Energy: 0.7319705633722515
Energy: 0.7182825449197912
Energy: 0.7319705633717433
Energy: 0.7182825449197912
Energy: 0.7283819412720489
Energy: 0.812997851043443
Energy: 0.7283819412735736
Energy: 0.812997851043443
Energy: 0.7283819412730654
Energy: 0.8129978510429346
Energy: 0.756353134154406
Energy: 0.7944436275375302
Energy: 0.756353134154406
Energy: 0.7944436275375302
Energy: 0.756353134154406
Energy: 0.7944436275380384
Energy: 0.7946724043912486
Energy: 0.7259970759468147
Energy: 0.7946724043912486
Energy: 0.7259970759468147
Energy: 0.7946724043902323
Energy: 0.7259970759463066
Energy: 0.7463931242753727
Energy: 0.8087835379014379
Energy: 0.7463931242758809
Energy: 0.8087835379014379
Energy: 0.7463931242743563
Energy: 0.8087835379014379
Energy: 0.7696281435758646
Energy: 0.8107092475324396
Energy: 0.7696281435763729
Energy: 0.8107092475324396
Energy: 0.7696281435768811
Energy: 0.8107092475324396
Energy: 0.7748452352286093
Energy: 0.7503148802634336
Energy: 0.7748452352291174
Energy: 0.7503148802624172
Energy: 0.7748452352286093
Energy: 0.7503148802634336
Energy: 0.7139631071905035
Energy: 0.7950317694738127
Energy: 0.7139631071905035
Energy: 0.7950317694738127
Energy: 0.7139631071915199
Energy: 0.7950317694738127
Energy: 0.7104253597513669
Energy: 0.7726756741664982
Energy: 0.710425359751875
Energy: 0.7726756741664982
Energy: 0.7104253597523832
Energy: 0.7726756741664982
Energy: 0.7762385969331095
Energy: 0.7070623950032313
Energy: 0.7762385969341259
Energy: 0.7070623950022149
Energy: 0.7762385969336176
Energy: 0.7070623950022149
Energy: 0.6913358170254051
Energy: 0.79360049527084
Energy: 0.6913358170254051
Energy: 0.79360049527084
Energy: 0.6913358170254051
Energy: 0.79360049527084
Energy: 0.7100002045783355
Energy: 0.7250137489650587
Energy: 0.7100002045793516
Energy: 0.7250137489645505
Energy: 0.7100002045793516
Energy: 0.7250137489650587
Energy: 0.7083874572881785
Energy: 0.8917207503275013
Energy: 0.7083874572891949
Energy: 0.8917207503275013
Energy: 0.7083874572876704
Energy: 0.8917207503280095
Energy: 0.6923501503036795
Energy: 0.7903058383451367
Energy: 0.6923501503041878
Energy: 0.7903058383451367
Energy: 0.6923501503036795
Energy: 0.7903058383436121
Energy: 0.7106528997894656
Energy: 0.7064880528050927
Energy: 0.710652899788449
Energy: 0.7064880528045846
Energy: 0.7106528997894656
Energy: 0.7064880528050927
Energy: 0.6894797704889746
Energy: 0.795215754728125
Energy: 0.6894797704879583
Energy: 0.7952157547291413
Energy: 0.6894797704894828
Energy: 0.7952157547286332
Energy: 0.8808162009962458
Energy: 0.8884879037565985
Energy: 0.8808162009957375
Energy: 0.8884879037565985
Energy: 0.8808162009957375
Energy: 0.8884879037565985
Energy: 0.7120486327012482
Energy: 0.6878766292673933
Energy: 0.7120486327012482
Energy: 0.6878766292699343
Energy: 0.7120486327017564
Energy: 0.6878766292679014
Energy: 0.6437116994934213
Energy: 0.7928994132092863
Energy: 0.6437116994929132
Energy: 0.7928994132087781
Energy: 0.6437116994934213
Energy: 0.7928994132082697

minimum gb energy = 0.6437116994929132 eV
minimum distance =  2.27891988174794 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: 0.550015421067485
Energy: 0.05001827532710533
Energy: 0.5500154210693521
Energy: 0.05001827532710533
Energy: 0.550015421067485
Energy: 0.05001827532710533
Energy: 0.5499792923744109
Energy: 0.04985677828913703
Energy: 0.5499792923725436
Energy: 0.04985677829100426
Energy: 0.5499792923725436
Energy: 0.04985677828913703
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.04869103916443126
Energy: 0.09998885442941054
Energy: 0.550015421067485
Energy: 0.05001827532897256
Energy: 0.550015421067485
Energy: 0.05001827532897256
Energy: 0.5500154210693521
Energy: 0.05001827532897256
Energy: 0.5499792923744109
Energy: 0.04985677829287149
Energy: 0.5499792923744109
Energy: 0.04985677829287149
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: 0.5500154210693521
Energy: 0.05001827533270702
Energy: 0.5500154210693521
Energy: 0.05001827532897256
Energy: 0.5500154210693521
Energy: 0.05001827533270702
Energy: 0.5499792923744109
Energy: 0.04985677828726979
Energy: 0.5499792923725436
Energy: 0.04985677828913703
Energy: 0.5499792923744109
Energy: 0.04985677828726979
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 =  2.46498099591636 Angstroms
sigma value = 3


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

Energy: 0.828458670477443
Energy: 0.6800210171026767
Energy: 0.8284586704780017
Energy: 0.6800210171026767
Energy: 0.828458670477443
Energy: 0.6800210171026767
Energy: 0.6930821971439243
Energy: 0.7020426576458227
Energy: 0.6930821971433655
Energy: 0.7020426576458227
Energy: 0.6930821971439243
Energy: 0.7020426576458227
Energy: 0.7289794452946375
Energy: 0.6955106716026778
Energy: 0.7289794452951963
Energy: 0.6955106716026778
Energy: 0.7289794452951963
Energy: 0.695510671602119
Energy: 0.7740593499232494
Energy: 0.674142838455257
Energy: 0.7740593499232494
Energy: 0.674142838455257
Energy: 0.7740593499232494
Energy: 0.674142838455257
Energy: 0.594909296574062
Energy: 0.7012049553043399
Energy: 0.5949092965751795
Energy: 0.7012049553048988
Energy: 0.5949092965751795
Energy: 0.7012049553043399
Energy: 0.7207295897608049
Energy: 0.7278451819734962
Energy: 0.720729589760246
Energy: 0.7278451819734962
Energy: 0.7207295897596873
Energy: 0.7278451819734962
Energy: 0.725105541181963
Energy: 0.7006333220318286
Energy: 0.7251055411825217
Energy: 0.7006333220318286
Energy: 0.7251055411814042
Energy: 0.7006333220323874
Energy: 0.5912151533844328
Energy: 0.7006402514074238
Energy: 0.5912151533844328
Energy: 0.7006402514074238
Energy: 0.5912151533849915
Energy: 0.7006402514074238
Energy: 0.7332100968079124
Energy: 0.7344923497488178
Energy: 0.7332100968084713
Energy: 0.7344923497493767
Energy: 0.7332100968084713
Energy: 0.7344923497493767
Energy: 0.680801149635876
Energy: 0.6403604339102514
Energy: 0.6808011496364349
Energy: 0.6403604339102514
Energy: 0.680801149635876
Energy: 0.6403604339096927
Energy: 0.6316919580480728
Energy: 0.690769035905152
Energy: 0.6316919580486315
Energy: 0.690769035905152
Energy: 0.631691958049749
Energy: 0.690769035905152
Energy: 0.7538979354209828
Energy: 0.7630235142877515
Energy: 0.7538979354209828
Energy: 0.7630235142883104
Energy: 0.7538979354215416
Energy: 0.7630235142877515
Energy: 0.7017077819098918
Energy: 0.605795290310135
Energy: 0.7017077819087743
Energy: 0.605795290310135
Energy: 0.7017077819087743
Energy: 0.605795290310135
Energy: 0.6602309333470212
Energy: 0.7523639717557892
Energy: 0.660230933345345
Energy: 0.7523639717563481
Energy: 0.6602309333464624
Energy: 0.7523639717557892
Energy: 0.7255829717894778
Energy: 0.7439468564431164
Energy: 0.7255829717900366
Energy: 0.7439468564431164
Energy: 0.7255829717894778
Energy: 0.7439468564431164
Energy: 0.6982854798415484
Energy: 0.5945332060103071
Energy: 0.6982854798421073
Energy: 0.5945332060108659
Energy: 0.6982854798415484
Energy: 0.5945332060108659
Energy: 0.6953966054668755
Energy: 0.7720645796642783
Energy: 0.6953966054663167
Energy: 0.7720645796642783
Energy: 0.6953966054668755
Energy: 0.7720645796642783
Energy: 0.7039109577779092
Energy: 0.7045050177279925
Energy: 0.7039109577779092
Energy: 0.7045050177279925
Energy: 0.7039109577773505
Energy: 0.7045050177279925
Energy: 0.726579326263985
Energy: 0.6861476666908911
Energy: 0.726579326263985
Energy: 0.6861476666908911
Energy: 0.7265793262645438
Energy: 0.6861476666908911
Energy: 0.6793250411945326
Energy: 0.8073474848455967
Energy: 0.6793250411939739
Energy: 0.8073474848461556
Energy: 0.6793250411939739
Energy: 0.8073474848455967
Energy: 0.7239944792399521
Energy: 0.6953821902542884
Energy: 0.7239944792405109
Energy: 0.6953821902542884
Energy: 0.7239944792393933
Energy: 0.6953821902542884
Energy: 0.7135700306418629
Energy: 0.6878076755674387
Energy: 0.7135700306413042
Energy: 0.6878076755668799
Energy: 0.7135700306424216
Energy: 0.6878076755674387
Energy: 0.7002530831724443
Energy: 0.7184815790888394
Energy: 0.7002530831724443
Energy: 0.7184815790888394
Energy: 0.7002530831718856
Energy: 0.7184815790888394
Energy: 0.7156172066592091
Energy: 0.6751304774597663
Energy: 0.7156172066580916
Energy: 0.6751304774597663
Energy: 0.7156172066592091
Energy: 0.6751304774597663
Energy: 0.7280114048128525
Energy: 0.71988376314137
Energy: 0.7280114048128525
Energy: 0.7198837631408113
Energy: 0.7280114048128525
Energy: 0.71988376314137
Energy: 0.6813945982783538
Energy: 0.7299674138605525
Energy: 0.6813945982794714
Energy: 0.7299674138605525
Energy: 0.6813945982794714
Energy: 0.7299674138605525
Energy: 0.7887706825757931
Energy: 0.5889515800480027
Energy: 0.7887706825752343
Energy: 0.5889515800480027
Energy: 0.7887706825752343
Energy: 0.5889515800480027
Energy: 0.7262235495866752
Energy: 0.7405997899929891
Energy: 0.7262235495866752
Energy: 0.7405997899929891
Energy: 0.7262235495866752
Energy: 0.7405997899929891
Energy: 0.663928725557238
Energy: 0.7008941758413871
Energy: 0.663928725557238
Energy: 0.7008941758419459
Energy: 0.6639287255566793
Energy: 0.7008941758419459
Energy: 0.800712927905628
Energy: 0.6337448091291444
Energy: 0.800712927905628
Energy: 0.6337448091291444
Energy: 0.800712927905628
Energy: 0.6337448091297032
Energy: 0.7427163787734183
Energy: 0.7330539784011436
Energy: 0.7427163787739771
Energy: 0.7330539784005848
Energy: 0.7427163787734183
Energy: 0.7330539784005848
Energy: 0.635823116596078
Energy: 0.6881617651028225
Energy: 0.635823116596078
Energy: 0.6881617651017048
Energy: 0.6358231165966368
Energy: 0.6881617651033812
Energy: 0.7490839126394401
Energy: 0.6960989512597489
Energy: 0.7490839126394401
Energy: 0.6960989512597489
Energy: 0.7490839126388813
Energy: 0.6960989512597489

minimum gb energy = 0.5889515800480027 eV
minimum distance =  2.33480387310731 Angstroms
sigma value = 67


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

Energy: 0.9615859464163887
Energy: 0.8528678895572824
Energy: 0.9615859464155924
Energy: 0.8528678895572824
Energy: 0.9615859464163887
Energy: 0.8528678895564863
Energy: 0.850419100183954
Energy: 0.8722014393357993
Energy: 0.8504191001831577
Energy: 0.8722014393357993
Energy: 0.8504191001847501
Energy: 0.8722014393357993
Energy: 0.9198795826369938
Energy: 0.8718514364447273
Energy: 0.9198795826369938
Energy: 0.8718514364447273
Energy: 0.9198795826369938
Energy: 0.8718514364455235
Energy: 0.9239272920691745
Energy: 0.8750996022712176
Energy: 0.923927292067582
Energy: 0.8750996022712176
Energy: 0.9239272920691745
Energy: 0.8750996022712176
Energy: 0.7576982618669648
Energy: 0.8410006270059748
Energy: 0.7576982618677609
Energy: 0.8410006270059748
Energy: 0.7576982618669648
Energy: 0.8410006270051787
Energy: 0.9091274014482714
Energy: 0.9046935589519718
Energy: 0.9091274014490676
Energy: 0.9046935589527678
Energy: 0.9091274014482714
Energy: 0.9046935589519718
Energy: 0.8519003475043543
Energy: 0.8258744099103563
Energy: 0.8519003475043543
Energy: 0.8258744099103563
Energy: 0.8519003475051505
Energy: 0.8258744099103563
Energy: 0.8166683626398353
Energy: 0.8375455053239804
Energy: 0.8166683626430201
Energy: 0.8375455053239804
Energy: 0.8166683626406315
Energy: 0.8375455053239804
Energy: 0.9354285761922265
Energy: 0.9482798175753203
Energy: 0.9354285761914303
Energy: 0.9482798175753203
Energy: 0.9354285761914303
Energy: 0.9482798175753203
Energy: 0.8518117658429968
Energy: 0.7767980200119379
Energy: 0.8518117658422006
Energy: 0.7767980200127341
Energy: 0.8518117658429968
Energy: 0.7767980200119379
Energy: 0.8642979246050613
Energy: 0.9081804467712399
Energy: 0.8642979246058574
Energy: 0.9081804467712399
Energy: 0.8642979246066537
Energy: 0.9081804467712399
Energy: 0.8532853358296567
Energy: 0.8949722391404162
Energy: 0.853285335830453
Energy: 0.8949722391404162
Energy: 0.853285335830453
Energy: 0.8949722391404162
Energy: 0.8927441093520865
Energy: 0.8451961242449575
Energy: 0.8927441093512903
Energy: 0.8451961242449575
Energy: 0.8927441093504941
Energy: 0.8451961242449575
Energy: 0.8479818695043103
Energy: 0.9260821166348638
Energy: 0.8479818695043103
Energy: 0.92608211663566
Energy: 0.8479818695043103
Energy: 0.9260821166348638
Energy: 0.8596961650016525
Energy: 0.8476286987139391
Energy: 0.8596961650008563
Energy: 0.8476286987139391
Energy: 0.8596961650008563
Energy: 0.8476286987139391
Energy: 0.8571573749446032
Energy: 0.8681883911871237
Energy: 0.8571573749438071
Energy: 0.8681883911871237
Energy: 0.8571573749446032
Energy: 0.8681883911871237
Energy: 0.8745983210725438
Energy: 0.9186264074417017
Energy: 0.8745983210741363
Energy: 0.9186264074417017
Energy: 0.8745983210733399
Energy: 0.9186264074417017
Energy: 0.8763636366684832
Energy: 0.837097659969385
Energy: 0.8763636366692793
Energy: 0.837097659969385
Energy: 0.8763636366684832
Energy: 0.837097659969385
Energy: 0.9058311701569672
Energy: 0.9157298269585532
Energy: 0.9058311701569672
Energy: 0.9157298269585532
Energy: 0.9058311701569672
Energy: 0.9157298269585532
Energy: 0.760162471026838
Energy: 0.8714586645100324
Energy: 0.760162471026838
Energy: 0.8714586645100324
Energy: 0.7601624710332076
Energy: 0.8714586645100324
Energy: 0.9261312993262114
Energy: 0.8567404396035323
Energy: 0.9261312993262114
Energy: 0.8567404396035323
Energy: 0.9261312993262114
Energy: 0.8567404396027359
Energy: 0.929734544309717
Energy: 0.9547251888992523
Energy: 0.929734544309717
Energy: 0.9547251888984559
Energy: 0.929734544309717
Energy: 0.9547251888992523
Energy: 0.8177305113433696
Energy: 0.908198587577733
Energy: 0.8177305113433696
Energy: 0.9081985875785291
Energy: 0.8177305113433696
Energy: 0.908198587577733

minimum gb energy = 0.7576982618669648 eV
minimum distance =  2.3343950061778 Angstroms
sigma value = 33


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

Energy: 1.0573116410184005
Energy: 0.9338244160302821
Energy: 1.0573116410194106
Energy: 0.9338244160302821
Energy: 1.0573116410189056
Energy: 0.9338244160302821
Energy: 0.9438511436494071
Energy: 0.9744446242914576
Energy: 0.9438511436494071
Energy: 0.9744446242919628
Energy: 0.9438511436489021
Energy: 0.9744446242919628
Energy: 1.011298243909988
Energy: 1.0026731355846232
Energy: 1.011298243908978
Energy: 1.0026731355846232
Energy: 1.011298243909483
Energy: 1.0026731355846232
Energy: 1.0160957400827741
Energy: 0.9636148860671395
Energy: 1.0160957400827741
Energy: 0.9636148860671395
Energy: 1.016095740081259
Energy: 0.9636148860676447
Energy: 0.9009431862633508
Energy: 0.9691535814036869
Energy: 0.9009431862628458
Energy: 0.9691535814036869
Energy: 0.900943186264866
Energy: 0.9691535814036869
Energy: 1.0689583414129233
Energy: 1.0202947365491855
Energy: 1.0689583414084234
Energy: 1.0202947365491855
Energy: 1.0689583414129233
Energy: 1.0202947365486803
Energy: 0.9427390557158362
Energy: 0.914754130657199
Energy: 0.9427390557158362
Energy: 0.914754130657199
Energy: 0.9427390557163412
Energy: 0.914754130657199
Energy: 0.9437619017720436
Energy: 1.0189953867839208
Energy: 0.9437619017725486
Energy: 1.0189953867844257
Energy: 0.9437619017705283
Energy: 1.0189953867844257
Energy: 0.9694816476046072
Energy: 1.024548862349764
Energy: 0.9694816476056174
Energy: 1.0245488623502692
Energy: 0.9694816476056174
Energy: 1.024548862349764
Energy: 1.046728643143161
Energy: 0.931532640217239
Energy: 1.046728643143161
Energy: 0.931532640217239
Energy: 1.0467286431436664
Energy: 0.9315326402177441
Energy: 0.9932736026884594
Energy: 1.0070433793485993
Energy: 0.9932736026879544
Energy: 1.0070433793491043
Energy: 0.9932736026894697
Energy: 1.0070433793491043
Energy: 0.9452475081082451
Energy: 0.9578584824472528
Energy: 0.9452475081082451
Energy: 0.9578584824477578
Energy: 0.9452475081082451
Energy: 0.9578584824477578
Energy: 1.0499047249722087
Energy: 0.95515754315965
Energy: 1.0499047249706934
Energy: 0.9551575431591448
Energy: 1.0499047249711984
Energy: 0.9551575431591448
Energy: 0.9634391455698685
Energy: 1.0074949712309909
Energy: 0.9634391455708786
Energy: 1.0074949712309909
Energy: 0.9634391455693635
Energy: 1.0074949712309909
Energy: 0.9797639619383962
Energy: 0.9727465420373304
Energy: 0.9797639619383962
Energy: 0.9727465420373304
Energy: 0.9797639619383962
Energy: 0.9727465420373304
Energy: 1.015707223498035
Energy: 1.0212112191495508
Energy: 1.0157072234985403
Energy: 1.0212112191495508
Energy: 1.0157072234985403
Energy: 1.0212112191495508
Energy: 0.8869854503438588
Energy: 1.002898710840988
Energy: 0.8869854503332978
Energy: 1.0028987108404828
Energy: 0.8869854503564859
Energy: 1.002898710840988
Energy: 1.0372967331320841
Energy: 1.033415320501002
Energy: 1.0372967331315792
Energy: 1.0334153204999919
Energy: 1.0372967331315792
Energy: 1.0334153204999919
Energy: 0.9482898636751358
Energy: 1.0279477872125051
Energy: 0.9482898636736206
Energy: 1.0279477872125051
Energy: 0.9482898636736206
Energy: 1.0279477872120002
Energy: 0.9510664861875254
Energy: 0.97412739050968
Energy: 0.9510664861865152
Energy: 0.97412739050968
Energy: 0.9510664861865152
Energy: 0.97412739050968
Energy: 1.0141605271830194
Energy: 1.0190547894956064
Energy: 1.0141605271835248
Energy: 1.0190547894956064
Energy: 1.0141605271835248
Energy: 1.0190547894956064
Energy: 0.9730212387510541
Energy: 0.9431769089317098
Energy: 0.973021238750549
Energy: 0.9431769089322148
Energy: 0.9730212387515591
Energy: 0.9431769089317098
Energy: 0.9963208722929561
Energy: 1.0064853614207872
Energy: 0.9963208722934611
Energy: 1.0064853614202822
Energy: 0.9963208722934611
Energy: 1.0064853614217972
Energy: 1.0432814920096722
Energy: 0.9552552825706708
Energy: 1.0432814920101774
Energy: 0.9552552825706708
Energy: 1.0432814920091669
Energy: 0.9552552825706708
Energy: 0.9452111466658993
Energy: 0.9657592131509515
Energy: 0.9452111466648891
Energy: 0.9657592131509515
Energy: 0.9452111466658993
Energy: 0.9657592131504463
Energy: 0.9985102893518578
Energy: 1.018753090271193
Energy: 0.9985102893503426
Energy: 1.018753090271193
Energy: 0.998510289352868
Energy: 1.0187530902706878
Energy: 0.9431663196623158
Energy: 0.9417131657319961
Energy: 0.9431663196613056
Energy: 0.9417131657319961
Energy: 0.9431663196613056
Energy: 0.9417131657319961
Energy: 1.012270121888465
Energy: 1.0657652099452022
Energy: 1.012270121888465
Energy: 1.0657652099446973
Energy: 1.01227012188796
Energy: 1.0657652099452022
Energy: 0.9431381064722171
Energy: 0.9689054833805308
Energy: 0.943138106476258
Energy: 0.9689054833805308
Energy: 0.9431381064742377
Energy: 0.9689054833800258
Energy: 0.9417876702887218
Energy: 0.9120327127512577
Energy: 0.9417876702882167
Energy: 0.9120327127522678
Energy: 0.9417876702887218
Energy: 0.9120327127517628
Energy: 1.0706700303281083
Energy: 1.0594878714223106
Energy: 1.0706700303286134
Energy: 1.0594878714223106
Energy: 1.0706700303291183
Energy: 1.0594878714223106
Energy: 0.9017025975276993
Energy: 0.9742066312075346
Energy: 0.9017025975307298
Energy: 0.9742066312070295
Energy: 0.9017025975292146
Energy: 0.9742066312075346
Energy: 1.0154189528749678
Energy: 0.9906654986628762
Energy: 1.0154189528749678
Energy: 0.9906654986633813
Energy: 1.0154189528749678
Energy: 0.9906654986633813
Energy: 0.9767417538558626
Energy: 0.9764233240729341
Energy: 0.9767417538563676
Energy: 0.9764233240734392
Energy: 0.9767417538558626
Energy: 0.9764233240729341
Energy: 0.9539895806134973
Energy: 1.0033215285365225
Energy: 0.9539895806165276
Energy: 1.0033215285370274
Energy: 0.9539895806145073
Energy: 1.0033215285365225
Energy: 1.0574758909045765
Energy: 0.9332751044834514
Energy: 1.0574758909050817
Energy: 0.9332751044839565
Energy: 1.0574758909050817
Energy: 0.9332751044839565
Energy: 0.9467714338190487
Energy: 0.9687429238243799
Energy: 0.9467714338190487
Energy: 0.9687429238248849
Energy: 0.9467714338190487
Energy: 0.9687429238248849

minimum gb energy = 0.8869854503332978 eV
minimum distance =  2.31956712964806 Angstroms
sigma value = 41


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

Energy: 1.1838913134588982
Energy: 1.1161776083996466
Energy: 1.1838913134588982
Energy: 1.1161776084010255
Energy: 1.1838913134588982
Energy: 1.1161776084010255
Energy: 1.094035041459541
Energy: 1.1505482735083605
Energy: 1.094035041459541
Energy: 1.1505482735083605
Energy: 1.094035041459541
Energy: 1.1505482735097399
Energy: 1.1789763065128565
Energy: 1.1385147320589557
Energy: 1.1789763065142356
Energy: 1.1385147320589557
Energy: 1.1789763065142356
Energy: 1.1385147320603346
Energy: 1.1829845219796016
Energy: 1.1488378375059345
Energy: 1.1829845219796016
Energy: 1.1488378375073136
Energy: 1.1829845219796016
Energy: 1.1488378375059345
Energy: 1.0723590908970086
Energy: 1.122240779298531
Energy: 1.0723590908970086
Energy: 1.122240779298531
Energy: 1.0723590908970086
Energy: 1.122240779298531
Energy: 1.2184867788748772
Energy: 1.2119276295328265
Energy: 1.2184867788748772
Energy: 1.2119276295314476
Energy: 1.2184867788748772
Energy: 1.2119276295314476
Energy: 1.1654967286686087
Energy: 1.0781300660061266
Energy: 1.1654967286686087
Energy: 1.0781300660061266
Energy: 1.1654967286672295
Energy: 1.0781300660061266
Energy: 1.1562049066645739
Energy: 1.1452368766071253
Energy: 1.1562049066645739
Energy: 1.1452368766071253
Energy: 1.156204906663195
Energy: 1.1452368766057464
Energy: 1.0970269387721439
Energy: 1.0958536387895697
Energy: 1.0970269387721439
Energy: 1.0958536387895697
Energy: 1.0970269387721439
Energy: 1.0958536387909485
Energy: 1.1808230311104313
Energy: 1.1300115349607276
Energy: 1.1808230311104313
Energy: 1.1300115349607276
Energy: 1.1808230311104313
Energy: 1.1300115349607276
Energy: 1.1652570072370274
Energy: 1.138501591132906
Energy: 1.206326169941573
Energy: 1.138501591132906
Energy: 1.0958830304923886
Energy: 1.138501591132906
Energy: 1.1509451418238155
Energy: 1.148863838377753
Energy: 1.1509451418251941
Energy: 1.148863838377753
Energy: 1.1509451418238155
Energy: 1.148863838377753
Energy: 1.1803265640380363
Energy: 1.1843487924686924
Energy: 1.1803265640380363
Energy: 1.1843487924673135
Energy: 1.1803265640380363
Energy: 1.1843487924673135
Energy: 1.0743557808268387
Energy: 1.1394219441989888
Energy: 1.0743557808268387
Energy: 1.139421944203126
Energy: 1.0743557808268387
Energy: 1.1394219441989888

minimum gb energy = 1.0723590908970086 eV
minimum distance =  2.30944526377703 Angstroms
sigma value = 11


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

Energy: 1.3407550130673795
Energy: 1.3092616304172615
Energy: 1.3407550130667736
Energy: 1.3092616304172615
Energy: 1.3407550130673795
Energy: 1.3092616304178673
Energy: 1.1929863448381497
Energy: 1.2662194169347953
Energy: 1.1929863448381497
Energy: 1.2662194169347953
Energy: 1.1929863448381497
Energy: 1.2662194169347953
Energy: 1.286544546468798
Energy: 1.2611603405943725
Energy: 1.2865445464675864
Energy: 1.2611603405943725
Energy: 1.2865445464669805
Energy: 1.2611603405943725
Energy: 1.2643254287821244
Energy: 1.2116533161192802
Energy: 1.2643254287821244
Energy: 1.2116533161192802
Energy: 1.2643254287821244
Energy: 1.2116533161192802
Energy: 1.2696542411109988
Energy: 1.2612774294332123
Energy: 1.2696542411109988
Energy: 1.2612774294332123
Energy: 1.2696542411109988
Energy: 1.2612774294332123
Energy: 1.239480841082712
Energy: 1.302776378701719
Energy: 1.239480841083318
Energy: 1.302776378701719
Energy: 1.239480841083318
Energy: 1.302776378701719
Energy: 1.2629228976517564
Energy: 1.231909840642592
Energy: 1.2629228976517564
Energy: 1.2319098406419862
Energy: 1.2629228976511508
Energy: 1.231909840642592
Energy: 1.2465627044330512
Energy: 1.2663084202687782
Energy: 1.2465627044336571
Energy: 1.2663084202687782
Energy: 1.2465627044336571
Energy: 1.2663084202687782
Energy: 1.2631474138873209
Energy: 1.249874453397232
Energy: 1.2631474138879266
Energy: 1.2498744533978376
Energy: 1.2631474138873209
Energy: 1.249874453397232
Energy: 1.2495386999749092
Energy: 1.26799733081065
Energy: 1.2495386999743037
Energy: 1.2679973308112558
Energy: 1.2495386999743037
Energy: 1.26799733081065
Energy: 1.2277567962967673
Energy: 1.2627425091593893
Energy: 1.2277567962967673
Energy: 1.2627425091593893
Energy: 1.2277567962967673
Energy: 1.2627425091593893
Energy: 1.2678778306991678
Energy: 1.2870684261540122
Energy: 1.2678778306991678
Energy: 1.2870684261540122
Energy: 1.2678778306985623
Energy: 1.2870684261540122
Energy: 1.2734837627213609
Energy: 1.2424040626310753
Energy: 1.2734837627213609
Energy: 1.2424040626316812
Energy: 1.273483762720755
Energy: 1.2424040626310753
Energy: 1.2505867997002564
Energy: 1.2601136936254618
Energy: 1.2505867997002564
Energy: 1.2601136936254618
Energy: 1.2505867997002564
Energy: 1.2601136936254618
Energy: 1.1909384690077334
Energy: 1.2457453430413283
Energy: 1.1909384690077334
Energy: 1.2457453430407226
Energy: 1.1909384690077334
Energy: 1.2457453430413283
Energy: 1.2669201655049895
Energy: 1.2329892706852115
Energy: 1.266920165506201
Energy: 1.232989270685817
Energy: 1.266920165505595
Energy: 1.232989270686423
Energy: 1.2151470883789661
Energy: 1.2664383514152244
Energy: 1.2151470883789661
Energy: 1.2664383514152244
Energy: 1.2151470883789661
Energy: 1.2664383514152244
Energy: 1.2828272388387323
Energy: 1.294092786537963
Energy: 1.2828272388387323
Energy: 1.294092786537357
Energy: 1.2828272388393382
Energy: 1.294092786537357
Energy: 1.230930807144574
Energy: 1.1919724152107574
Energy: 1.2309308071451799
Energy: 1.1919724152107574
Energy: 1.2309308071451799
Energy: 1.1919724152107574
Energy: 1.235327079769729
Energy: 1.2590804639221864
Energy: 1.2353270797673062
Energy: 1.2590804639215807
Energy: 1.2353270797685176
Energy: 1.2590804639221864
Energy: 1.2026910061675236
Energy: 1.2330470817292567
Energy: 1.2026910061675236
Energy: 1.2330470817292567
Energy: 1.2026910061669178
Energy: 1.2330470817292567
Energy: 1.28576600940572
Energy: 1.2953763209093638
Energy: 1.285766009406326
Energy: 1.2953763209087583
Energy: 1.28576600940572
Energy: 1.2953763209087583
Energy: 1.251754610252296
Energy: 1.2618377761618975
Energy: 1.251754610252902
Energy: 1.2618377761618975
Energy: 1.251754610252296
Energy: 1.2618377761618975
Energy: 1.3035058228317191
Energy: 1.26527045963254
Energy: 1.3035058228311132
Energy: 1.265270459631934
Energy: 1.3035058228317191
Energy: 1.265270459631934
Energy: 1.2499728140883435
Energy: 1.2526906065387688
Energy: 1.2499728140877377
Energy: 1.2526906065387688
Energy: 1.2499728140877377
Energy: 1.2526906065393744
Energy: 1.229855147933087
Energy: 1.2597122462531318
Energy: 1.229855147933693
Energy: 1.2597122462537373
Energy: 1.229855147933693
Energy: 1.2597122462537373
Energy: 1.2376622460420736
Energy: 1.2939410118608377
Energy: 1.2376622460420736
Energy: 1.2939410118620491
Energy: 1.2376622460426794
Energy: 1.2939410118608377
Energy: 1.2683347266695322
Energy: 1.2307467061744477
Energy: 1.2683347266695322
Energy: 1.2307467061744477
Energy: 1.2683347266695322
Energy: 1.2307467061744477
Energy: 1.250719625317345
Energy: 1.2732934006087164
Energy: 1.2507196253167392
Energy: 1.2732934006093224
Energy: 1.250719625317345
Energy: 1.2732934006093224
Energy: 1.2342401089948174
Energy: 1.184744429903739
Energy: 1.2342401089948174
Energy: 1.184744429903739
Energy: 1.2342401089948174
Energy: 1.184744429903739
Energy: 1.2537660342242176
Energy: 1.2824452229479562
Energy: 1.2537660342248234
Energy: 1.2824452229479562
Energy: 1.2537660342242176
Energy: 1.2824452229479562

minimum gb energy = 1.184744429903739 eV
minimum distance =  2.26569422218172 Angstroms
sigma value = 57


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

Energy: 1.2001585404537187
Energy: 1.1740672505927927
Energy: 1.2001585404537187
Energy: 1.1740672505927927
Energy: 1.2001585404537187
Energy: 1.1740672505927927
Energy: 1.2590286693279762
Energy: 1.2557351587522612
Energy: 1.2590286693279762
Energy: 1.2557351587522612
Energy: 1.2590286693279762
Energy: 1.2557351587522612
Energy: 1.2805863669953972
Energy: 1.248076355310165
Energy: 1.2805863669943192
Energy: 1.248076355310165
Energy: 1.2805863669953972
Energy: 1.248076355310165
Energy: 1.1926387995727024
Energy: 1.5177582541262833
Energy: 1.1926387995727024
Energy: 1.653874486269714
Energy: 1.1926387995727024
Energy: 1.5177582541273613
Energy: 1.2800821960909698
Energy: 1.248143965001182
Energy: 1.2800821960909698
Energy: 1.248143965001182
Energy: 1.2800821960909698
Energy: 1.248143965001182
Energy: 1.259045718298288
Energy: 1.2557090525037546
Energy: 1.259045718298288
Energy: 1.2557090525037546
Energy: 1.259045718298288
Energy: 1.2557090525037546
Energy: 1.2001585404547968
Energy: 1.1740672505917145
Energy: 1.2001585404547968
Energy: 1.1740672505917145
Energy: 1.2001585404547968
Energy: 1.1740672505917145
Energy: 1.259028669324742
Energy: 1.2557351587522612
Energy: 1.259028669324742
Energy: 1.2557351587522612
Energy: 1.259028669324742
Energy: 1.2557351587522612
Energy: 1.2805863669932411
Energy: 1.248076355309087
Energy: 1.2805863669986313
Energy: 1.248076355310165
Energy: 1.280586366992163
Energy: 1.248076355310165
Energy: 1.1926387995705463
Energy: 1.455537479973734
Energy: 1.1926387995705463
Energy: 1.4555374799748122
Energy: 1.1926387995705463
Energy: 1.4555374799748122
Energy: 1.2800821960909698
Energy: 1.24814396500226
Energy: 1.2800821960888138
Energy: 1.24814396500226
Energy: 1.2800821960888138
Energy: 1.24814396500226
Energy: 1.259045718300444
Energy: 1.2557090525026766
Energy: 1.2590457182993662
Energy: 1.2557090525026766
Energy: 1.259045718300444
Energy: 1.2557090525026766
Energy: 1.2001585404537187
Energy: 1.1740672505917145
Energy: 1.2001585404526407
Energy: 1.1740672505917145
Energy: 1.2001585404537187
Energy: 1.1740672505917145
Energy: 1.2590286693279762
Energy: 1.2557351587522612
Energy: 1.2590286693279762
Energy: 1.2557351587522612
Energy: 1.2590286693279762
Energy: 1.255735158751183
Energy: 1.280586366988978
Energy: 1.248076355310165
Energy: 1.2805863669932411
Energy: 1.248076355309087
Energy: 1.280586366992163
Energy: 1.248076355310165
Energy: 1.1926387995737804
Energy: 1.288866199011818
Energy: 1.1926387995737804
Energy: 1.288866199011818
Energy: 1.1926387995737804
Energy: 1.288866199011818
Energy: 1.2800821960888138
Energy: 1.248143965001182
Energy: 1.2800821960909698
Energy: 1.248143965001182
Energy: 1.2800821960898918
Energy: 1.248143965001182

minimum gb energy = 1.1740672505917145 eV
minimum distance =  2.30988985617228 Angstroms
sigma value = 9


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

Energy: 1.321072394859214
Energy: 1.2374625480020562
Energy: 1.321072394859214
Energy: 1.2374625480029366
Energy: 1.321072394860094
Energy: 1.2374625480029366
Energy: 1.27617116834109
Energy: 1.2801515920036959
Energy: 1.2761711683393293
Energy: 1.2801515920036959
Energy: 1.2761711683393293
Energy: 1.2801515920036959
Energy: 1.2741034223162957
Energy: 1.2766063901784253
Energy: 1.274103422318056
Energy: 1.2766063901784253
Energy: 1.274103422317176
Energy: 1.2766063901784253
Energy: 1.2566201425554189
Energy: 1.3539638936398304
Energy: 1.2566201425554189
Energy: 1.3539638936398304
Energy: 1.2566201425562988
Energy: 1.3539638936398304
Energy: 1.2733281804422658
Energy: 1.2937746696600594
Energy: 1.2733281804422658
Energy: 1.2937746696600594
Energy: 1.2733281804422658
Energy: 1.2937746696600594
Energy: 1.2841351537079575
Energy: 1.2825816728925943
Energy: 1.2841351537070773
Energy: 1.2825816728925943
Energy: 1.2841351537079575
Energy: 1.2825816728925943
Energy: 1.2656023815303612
Energy: 1.2867018569676656
Energy: 1.265602381529481
Energy: 1.2867018569676656
Energy: 1.2656023815303612
Energy: 1.2867018569685458
Energy: 1.2616939702953491
Energy: 1.3072879670949418
Energy: 1.2616939702962293
Energy: 1.3072879670931814
Energy: 1.2616939702962293
Energy: 1.3072879670949418
Energy: 1.3530758418884345
Energy: 1.2743799876112711
Energy: 1.3530758418884345
Energy: 1.2743799876121513
Energy: 1.3530758418893147
Energy: 1.2743799876121513
Energy: 1.267208309773942
Energy: 1.2611159679668273
Energy: 1.2672083097730615
Energy: 1.2611159679668273
Energy: 1.267208309773942
Energy: 1.2611159679668273
Energy: 1.2629222651450396
Energy: 1.2728100381365175
Energy: 1.3025925864931145
Energy: 1.2728100381373977
Energy: 1.253284963190289
Energy: 1.2728100381373977
Energy: 1.332752820573939
Energy: 1.2824222918681103
Energy: 1.332752820573059
Energy: 1.2824222918681103
Energy: 1.332752820573939
Energy: 1.2824222918681103
Energy: 1.2619463136556093
Energy: 1.3152660977727155
Energy: 1.2619463136547289
Energy: 1.3152660977735957
Energy: 1.2619463136556093
Energy: 1.3152660977727155
Energy: 1.2760509387897507
Energy: 1.26289991932853
Energy: 1.2760509387897507
Energy: 1.2628999193276498
Energy: 1.2760509387906307
Energy: 1.26289991932853
Energy: 1.308816543655011
Energy: 1.2714516304566583
Energy: 1.308816543655011
Energy: 1.2714516304566583
Energy: 1.308816543655891
Energy: 1.2714516304566583
Energy: 1.3272999185096488
Energy: 1.2714845698817279
Energy: 1.327299918510529
Energy: 1.2714845698817279
Energy: 1.3272999185096488
Energy: 1.2714845698817279
Energy: 1.3097365093245796
Energy: 1.2720369546953292
Energy: 1.3097365093245796
Energy: 1.272036954694449
Energy: 1.3097365093245796
Energy: 1.272036954694449
Energy: 1.4117794328010398
Energy: 1.2729508268100111
Energy: 1.4117794328001596
Energy: 1.2729508268091307
Energy: 1.4117794328010398
Energy: 1.2729508268091307
Energy: 1.286318678144858
Energy: 1.2702978842996593
Energy: 1.286318678144858
Energy: 1.2702978842996593
Energy: 1.286318678144858
Energy: 1.2702978842996593
Energy: 1.271685924591842
Energy: 1.2381236947591767
Energy: 1.271685924591842
Energy: 1.2381236947591767
Energy: 1.271685924592722
Energy: 1.2381236947600567
Energy: 1.336840836562588
Energy: 1.297475747194473
Energy: 1.336840836563468
Energy: 1.297475747194473
Energy: 1.336840836563468
Energy: 1.297475747194473

minimum gb energy = 1.2374625480020562 eV
minimum distance =  2.27820088506009 Angstroms
sigma value = 27


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

Energy: 1.351412533989069
Energy: 1.2200639607613815
Energy: 1.351412533989069
Energy: 1.2200639607636075
Energy: 1.351412533989069
Energy: 1.2200639607621235
Energy: 1.3083962359497543
Energy: 1.235255039549007
Energy: 1.3083962359490124
Energy: 1.235255039549007
Energy: 1.3083962359490124
Energy: 1.2352550395482647
Energy: 1.2096821996067904
Energy: 1.2441613715103266
Energy: 1.2096821996060483
Energy: 1.2441613715103266
Energy: 1.2096821996053064
Energy: 1.2441613715110686
Energy: 1.2119862438069329
Energy: 1.2074372034147525
Energy: 1.2119862438069329
Energy: 1.2074372034147525
Energy: 1.2119862438069329
Energy: 1.2074372034147525
Energy: 1.2117006204986922
Energy: 1.252595551420794
Energy: 1.2117006204994343
Energy: 1.252595551420794
Energy: 1.2117006204986922
Energy: 1.252595551420052
Energy: 1.2484997712415964
Energy: 1.311228519857208
Energy: 1.2484997712408545
Energy: 1.311228519857208
Energy: 1.2484997712415964
Energy: 1.311228519857208
Energy: 1.213004685744109
Energy: 1.2599158441970935
Energy: 1.213004685744109
Energy: 1.2599158441963514
Energy: 1.213004685744851
Energy: 1.2599158441956093
Energy: 1.2741242665728132
Energy: 1.2092205263333669
Energy: 1.2741242665720711
Energy: 1.2092205263333669
Energy: 1.2741242665720711
Energy: 1.209220526332625
Energy: 1.2342284989915795
Energy: 1.2463183396488928
Energy: 1.2342284989915795
Energy: 1.2463183396488928
Energy: 1.2342284989923216
Energy: 1.2463183396488928
Energy: 1.3231339128419186
Energy: 1.2280910213353047
Energy: 1.3231339128411765
Energy: 1.2280910213353047
Energy: 1.3231339128411765
Energy: 1.2280910213353047
Energy: 1.3184464300931282
Energy: 1.2526049852582393
Energy: 1.3184464300931282
Energy: 1.2526049852582393
Energy: 1.3184464300931282
Energy: 1.2526049852582393
Energy: 1.2603916961121384
Energy: 1.2113458757372673
Energy: 1.2603916961121384
Energy: 1.2113458757380093
Energy: 1.2603916961121384
Energy: 1.2113458757380093
Energy: 1.272185063061811
Energy: 1.2057377885681544
Energy: 1.272185063061069
Energy: 1.2057377885674123
Energy: 1.272185063061069
Energy: 1.2057377885674123
Energy: 1.2412054424350563
Energy: 1.2360385910030391
Energy: 1.2412054424357983
Energy: 1.2360385910030391
Energy: 1.2412054424357983
Energy: 1.2360385910030391
Energy: 1.2412927169416321
Energy: 1.3326980575758944
Energy: 1.2412927169416321
Energy: 1.3326980575758944
Energy: 1.2412927169416321
Energy: 1.3326980575758944
Energy: 1.237818307624734
Energy: 1.2520283256378602
Energy: 1.237818307624734
Energy: 1.2520283256378602
Energy: 1.237818307624734
Energy: 1.2520283256378602
Energy: 1.2116209648120673
Energy: 1.211146590518084
Energy: 1.2116209648128091
Energy: 1.211146590518084
Energy: 1.2116209648120673
Energy: 1.2111465905188261
Energy: 1.20838983328467
Energy: 1.234603578768734
Energy: 1.20838983328467
Energy: 1.234603578768734
Energy: 1.2083898332839282
Energy: 1.234603578768734
Energy: 1.1664497459667347
Energy: 1.211705266981844
Energy: 1.1664497459674765
Energy: 1.211705266981844
Energy: 1.1664497459667347
Energy: 1.211705266982586
Energy: 1.3514125339875853
Energy: 1.2200639607598978
Energy: 1.3514125339875853
Energy: 1.2200639607606396
Energy: 1.3514125339875853
Energy: 1.2200639607613815
Energy: 1.3083962359467867
Energy: 1.235255039549007
Energy: 1.3083962359460446
Energy: 1.235255039549007
Energy: 1.3083962359467867
Energy: 1.235255039549007
Energy: 1.2096821996060483
Energy: 1.2441613715110686
Energy: 1.2096821996060483
Energy: 1.2441613715110686
Energy: 1.2096821996060483
Energy: 1.2441613715110686
Energy: 1.2119862438061912
Energy: 1.2074372034147525
Energy: 1.2119862438054492
Energy: 1.2074372034147525
Energy: 1.2119862438061912
Energy: 1.2074372034147525
Energy: 1.2117006205009182
Energy: 1.2525955514222777
Energy: 1.2117006205009182
Energy: 1.2525955514222777
Energy: 1.2117006205001764
Energy: 1.2525955514222777
Energy: 1.2484997712401125
Energy: 1.311228519858692
Energy: 1.2484997712401125
Energy: 1.3112285198594336
Energy: 1.2484997712401125
Energy: 1.311228519858692

minimum gb energy = 1.1664497459667347 eV
minimum distance =  2.3094229710892 Angstroms
sigma value = 19


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

Energy: 1.2410084612039531
Energy: 1.2363777701294614
Energy: 1.2410084612045935
Energy: 1.2363777701301017
Energy: 1.2410084612039531
Energy: 1.2363777701294614
Energy: 1.23948042717704
Energy: 1.2424259999093532
Energy: 1.2394804271776805
Energy: 1.2424259999099938
Energy: 1.23948042717704
Energy: 1.2424259999093532
Energy: 1.2403851408539905
Energy: 1.1865927559865213
Energy: 1.2403851408539905
Energy: 1.1865927559858809
Energy: 1.2403851408539905
Energy: 1.1865927559865213
Energy: 1.2038038564935478
Energy: 1.2524949435816979
Energy: 1.2038038564929074
Energy: 1.2524949435816979
Energy: 1.2038038564935478
Energy: 1.2524949435816979
Energy: 1.2158487384106444
Energy: 1.2538398555657058
Energy: 1.2158487384112848
Energy: 1.2538398555657058
Energy: 1.2158487384112848
Energy: 1.2538398555657058
Energy: 1.2347886574685174
Energy: 1.2083676179969707
Energy: 1.234788657467877
Energy: 1.2083676179969707
Energy: 1.234788657467877
Energy: 1.2083676179969707
Energy: 1.1864679620326428
Energy: 1.292079568958092
Energy: 1.1864679620320022
Energy: 1.292079568958092
Energy: 1.1864679620326428
Energy: 1.292079568958092
Energy: 1.2258758419063773
Energy: 1.2496585828784954
Energy: 1.2258758419063773
Energy: 1.2496585828784954
Energy: 1.2258758419063773
Energy: 1.2496585828784954
Energy: 1.2980524825165398
Energy: 1.1835654316710502
Energy: 1.2980524825165398
Energy: 1.1835654316710502
Energy: 1.2980524825165398
Energy: 1.1835654316710502
Energy: 1.243004004177967
Energy: 1.24126804557519
Energy: 1.2430040041786077
Energy: 1.24126804557519
Energy: 1.2430040041786077
Energy: 1.2412680455745495
Energy: 1.1922464964385255
Energy: 1.2500264584147402
Energy: 1.192246496437885
Energy: 1.2500264584147402
Energy: 1.192246496437885
Energy: 1.2500264584147402
Energy: 1.2451805989859888
Energy: 1.1839381760898935
Energy: 1.2451805989853482
Energy: 1.1839381760898935
Energy: 1.2451805989853482
Energy: 1.1839381760898935
Energy: 1.2383531576063127
Energy: 1.2223055283843516
Energy: 1.2383531576069533
Energy: 1.222305528383711
Energy: 1.2383531576069533
Energy: 1.2223055283843516
Energy: 1.2028201590423409
Energy: 1.2399552687682367
Energy: 1.2028201590423409
Energy: 1.2399552687675963
Energy: 1.2028201590423409
Energy: 1.2399552687669557
Energy: 1.25642442282269
Energy: 1.1773168850580604
Energy: 1.25642442282269
Energy: 1.1773168850574198
Energy: 1.25642442282269
Energy: 1.1773168850580604
Energy: 1.2412112406867177
Energy: 1.1858781351726
Energy: 1.2412112406867177
Energy: 1.1858781351726
Energy: 1.2412112406867177
Energy: 1.1858781351726
Energy: 1.203196382877244
Energy: 1.2429119013537882
Energy: 1.2031963828778554
Energy: 1.2429119013544285
Energy: 1.2031963828778554
Energy: 1.2429119013544285
Energy: 1.2453969824973383
Energy: 1.2844608260373367
Energy: 1.2453969824966977
Energy: 1.2844608260373367
Energy: 1.2453969824973383
Energy: 1.2844608260373367
Energy: 1.223574154599482
Energy: 1.2052305398991519
Energy: 1.2235741546001226
Energy: 1.2052305398991519
Energy: 1.223574154599482
Energy: 1.2052305398991519
Energy: 1.2142676765760676
Energy: 1.2310531213993965
Energy: 1.2142676765760676
Energy: 1.2310531213993965
Energy: 1.2142676765754272
Energy: 1.2310531213993965
Energy: 1.1771683273423916
Energy: 1.2503836601655536
Energy: 1.1771683273423916
Energy: 1.2503836601655536
Energy: 1.1771683273423916
Energy: 1.2503836601655536
Energy: 1.3022242552513699
Energy: 1.1842614114148011
Energy: 1.3022242552513699
Energy: 1.1842614114148011
Energy: 1.3022242552507295
Energy: 1.1842614114148011
Energy: 1.2961991851434262
Energy: 1.239659924187133
Energy: 1.2961991851440666
Energy: 1.239659924187133
Energy: 1.2961991851440666
Energy: 1.239659924187133
Energy: 1.2431004198497728
Energy: 1.2418585813905296
Energy: 1.2431004198497728
Energy: 1.2418585813905296
Energy: 1.2431004198497728
Energy: 1.2418585813905296
Energy: 1.2422627691961938
Energy: 1.185375011597421
Energy: 1.2422627691955535
Energy: 1.185375011597421
Energy: 1.2422627691955535
Energy: 1.185375011597421
Energy: 1.2404365666218087
Energy: 1.2126720756521019
Energy: 1.240436566622449
Energy: 1.2126720756521019
Energy: 1.240436566622449
Energy: 1.2126720756514617
Energy: 1.1911682502825014
Energy: 1.2395482369646105
Energy: 1.1911682502831418
Energy: 1.2395482369646105
Energy: 1.1911682502831418
Energy: 1.239548236965251
Energy: 1.2415966337746505
Energy: 1.2166435380125304
Energy: 1.2415966337746505
Energy: 1.2166435380131708
Energy: 1.2415966337746505
Energy: 1.2166435380125304
Energy: 1.2363793968647803
Energy: 1.217751640791221
Energy: 1.2363793968647803
Energy: 1.217751640791221
Energy: 1.2363793968647803
Energy: 1.217751640791221

minimum gb energy = 1.1771683273423916 eV
minimum distance =  2.27143187293274 Angstroms
sigma value = 101


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

Energy: 1.177201996881877
Energy: 1.2544031643988518
Energy: 1.177201996881877
Energy: 1.2544031643988518
Energy: 1.1772019968824399
Energy: 1.2544031643994145
Energy: 1.2369024002370823
Energy: 1.2053993423552578
Energy: 1.2369024002370823
Energy: 1.2053993423552578
Energy: 1.2369024002376452
Energy: 1.2053993423552578
Energy: 1.2141650165381557
Energy: 1.1329362107994372
Energy: 1.2141650165375928
Energy: 1.1329362107994372
Energy: 1.2141650165381557
Energy: 1.1329362107994372
Energy: 1.1301364987893796
Energy: 1.2188345389390898
Energy: 1.1301364987888165
Energy: 1.2188345389368378
Energy: 1.1301364987888165
Energy: 1.2616476681161988
Energy: 1.1689471003318772
Energy: 1.1767123138025435
Energy: 1.1689471003318772
Energy: 1.1767123138042326
Energy: 1.168947100331314
Energy: 1.1767123138019804
Energy: 1.2348988243967352
Energy: 1.1320220400456218
Energy: 1.2348988243967352
Energy: 1.132022040046185
Energy: 1.2348988243961723
Energy: 1.132022040046185
Energy: 1.169917202406102
Energy: 1.2044498401396275
Energy: 1.1699172024066649
Energy: 1.2044498401396275
Energy: 1.1699172024066649
Energy: 1.2044498401390644
Energy: 1.1271594090642612
Energy: 1.2039807029407736
Energy: 1.1271594090648243
Energy: 1.2627772509583262
Energy: 1.1271594090642612
Energy: 1.2627772509572
Energy: 1.2300346632023402
Energy: 1.1332596599780171
Energy: 1.2300346632017771
Energy: 1.1332596599785802
Energy: 1.2300346632017771
Energy: 1.1332596599780171
Energy: 1.1692089623318165
Energy: 1.2253201744768007
Energy: 1.1692089623318165
Energy: 1.2832069907580166
Energy: 1.1692089623323798
Energy: 1.2832069907580166
Energy: 1.1234637765733206
Energy: 1.336661287595281
Energy: 1.1234637765733206
Energy: 1.336661287595281
Energy: 1.1234637765727575
Energy: 1.336661287595281
Energy: 1.2384330590750028
Energy: 1.2063831029982337
Energy: 1.2384330590761286
Energy: 1.2143846222289543
Energy: 1.2384330590750028
Energy: 1.1936316996680638
Energy: 1.2075625462805526
Energy: 1.1317875296707993
Energy: 1.2075625462811157
Energy: 1.1317875296702362
Energy: 1.2075625462805526
Energy: 1.1317875296707993
Energy: 1.1835617579226811
Energy: 1.2038797682971007
Energy: 1.183561757922118
Energy: 1.2482054652920676
Energy: 1.183561757922118
Energy: 1.2482054652915047
Energy: 1.232265084276379
Energy: 1.1745054796609897
Energy: 1.2322650842758156
Energy: 1.1745054796609897
Energy: 1.2322650842752527
Energy: 1.1745054796609897
Energy: 1.2142571833665825
Energy: 1.132042195611548
Energy: 1.2142571833665825
Energy: 1.132042195610985
Energy: 1.2142571833660196
Energy: 1.132042195611548
Energy: 1.120410721394674
Energy: 1.2194350156658218
Energy: 1.120410721394111
Energy: 1.2194350156658218
Energy: 1.120410721394674
Energy: 1.2194350156652587
Energy: 1.1186572425090238
Energy: 1.2232473431856834
Energy: 1.1186572425090238
Energy: 1.2232473431862463
Energy: 1.1186572425084609
Energy: 1.2232473431856834
Energy: 1.2307487752601787
Energy: 1.1332256505040121
Energy: 1.2307487752584896
Energy: 1.1332256505045755
Energy: 1.2307487752613044
Energy: 1.1332256505040121
Energy: 1.1688679446197965
Energy: 1.22479806219215
Energy: 1.1688679446197965
Energy: 1.22479806219215
Energy: 1.1688679446181078
Energy: 1.22479806219215
Energy: 1.123981507621665
Energy: 1.335083454042888
Energy: 1.1239815076222281
Energy: 1.335083454044014
Energy: 1.123981507621665
Energy: 1.335083454044577
Energy: 1.2234739921127262
Energy: 1.1261727326272541
Energy: 1.2234739921127262
Energy: 1.1261727326266913
Energy: 1.2234739921127262
Energy: 1.1261727326266913
Energy: 1.2215741111168106
Energy: 1.1265883588356622
Energy: 1.2215741111173732
Energy: 1.126588358836225
Energy: 1.2215741111168106
Energy: 1.126588358836225
Energy: 1.1301459261171218
Energy: 1.2561230284493858
Energy: 1.1301459261171218
Energy: 1.2561230284499487
Energy: 1.1301459261171218
Energy: 1.2561230284488225
Energy: 1.2497994862778021
Energy: 1.1760741379323625
Energy: 1.2497994862783652
Energy: 1.1760741379323625
Energy: 1.2497994862778021
Energy: 1.1760741379323625
Energy: 1.2083796661884214
Energy: 1.1319618099366688
Energy: 1.2083796661884214
Energy: 1.1319618099366688
Energy: 1.2083796661884214
Energy: 1.1319618099366688
Energy: 1.1771215771673194
Energy: 1.2061647033198193
Energy: 1.1771215771656303
Energy: 1.2061647033198193
Energy: 1.1771215771661934
Energy: 1.2061647033203824
Energy: 1.17781964888213
Energy: 1.2204469826103408
Energy: 1.1778196488815669
Energy: 1.220446982609778
Energy: 1.1778196488826929
Energy: 1.220446982609778
Energy: 1.2405271907535789
Energy: 1.1483644234297985
Energy: 1.2405271907535789
Energy: 1.1483644234297985
Energy: 1.2405271907535789
Energy: 1.1483644234297985
Energy: 1.1193917948438523
Energy: 1.2191240375120755
Energy: 1.1193917948438523
Energy: 1.2191240375120755
Energy: 1.1193917948444154
Energy: 1.2191240375120755
Energy: 1.121393381218386
Energy: 1.1855935485373335
Energy: 1.121393381218386
Energy: 1.1855935485378963
Energy: 1.121393381217823
Energy: 1.1855935485378963
Energy: 1.222839973565723
Energy: 1.1259936372425272
Energy: 1.222839973565723
Energy: 1.1259936372425272
Energy: 1.222839973564597
Energy: 1.1259936372425272
Energy: 1.222160965387608
Energy: 1.127010605059282
Energy: 1.222160965387608
Energy: 1.127010605059282
Energy: 1.222160965387045
Energy: 1.127010605059282

minimum gb energy = 1.1186572425084609 eV
minimum distance =  2.28711405969304 Angstroms
sigma value = 33


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

Energy: 0.020372437802896156
Energy: 0.9609405549998538
Energy: 0.020372437803363928
Energy: 0.9609405549998538
Energy: 0.020372437802896156
Energy: 0.9609405549998538
Energy: 0.02109595779877244
Energy: 0.3985364074234687
Energy: 0.021095957799188235
Energy: 0.3985364074234687
Energy: 0.021095957799188235
Energy: 0.398536407423001
Energy: 1.4287447543890017
Energy: 0.3991855957419661
Energy: 1.4287447543880663
Energy: 0.399185595744253
Energy: 1.4287447543890017
Energy: 0.39918559574331747
Energy: 0.021095957800123778
Energy: 0.398536407423001
Energy: 0.021095957800123778
Energy: 0.398536407423001
Energy: 0.021095957799188235
Energy: 0.398536407423001

minimum gb energy = 0.020372437802896156 eV
minimum distance =  2.48139739560884 Angstroms
sigma value = 1