Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.170121654868126
cohesive_energy=6.626793453681482
mass=95.95
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: -4.22544605584842 eV

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

Energy: 0.016667434634961825
Energy: 0.018019172034657093
Energy: 1.4748464171267819
Energy: 0.018019172034249287
Energy: 0.016667434634961825
Energy: 0.018019172034249287
Energy: 0.018019172034249287
Energy: 4.344611769713168
Energy: 0.018019172034657093
Energy: 3.5562471033739658
Energy: 0.018019172034249287
Energy: 3.5562471033739658
Energy: 1.4748464171267819
Energy: 0.018019172034249287
Energy: 0.016667434634961825
Energy: 0.018019172034249287
Energy: 1.4748464171271443
Energy: 0.018019172034249287
Energy: 0.018019172034249287
Energy: 3.5562471033739658
Energy: 0.018019172034249287
Energy: 3.5562471033739658
Energy: 0.018019172034657093
Energy: 3.5562471033739658
Energy: 0.016667434634961825
Energy: 0.018019172034249287
Energy: 1.4748464171267819
Energy: 0.018019172034249287
Energy: 0.016667434634961825
Energy: 0.018019172034249287
Energy: 0.018019172034249287
Energy: 3.5562471033739658
Energy: 0.018019172034249287
Energy: 3.5562471033739658
Energy: 0.018019172034249287
Energy: 3.5562471033739658

minimum gb energy = 0.016667434634961825 eV
minimum distance =  2.49521133861734 Angstroms
sigma value = 1


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

Energy: 2.151539330766638
Energy: 2.107604518901176
Energy: 2.101564194936153
Energy: 2.107604518901176
Energy: 2.151539330766638
Energy: 2.107604518901176
Energy: 2.1658119404048284
Energy: 2.0813756000477137
Energy: 2.0770544912180013
Energy: 2.081375600046732
Energy: 2.1658119404048284
Energy: 2.0813756000477137
Energy: 1.9906181348333496
Energy: 2.082346130016901
Energy: 2.084285062391438
Energy: 2.082346130016901
Energy: 1.9906181348333496
Energy: 2.0823461300178825
Energy: 2.0937630550936057
Energy: 2.066487132793251
Energy: 2.0735088815348144
Energy: 2.066487132793251
Energy: 2.0937630550936057
Energy: 2.066487132793251
Energy: 2.093731663498257
Energy: 2.109823866451326
Energy: 2.1027109633590664
Energy: 2.109823866451326
Energy: 2.093731663498257
Energy: 2.109823866451326
Energy: 2.076202842253428
Energy: 2.083583521114173
Energy: 2.0053681204019633
Energy: 2.083583521114173
Energy: 2.076202842253428
Energy: 2.0835835211151545
Energy: 2.0758964393933224
Energy: 2.0841034727668846
Energy: 1.9967088984800956
Energy: 2.0841034727668846
Energy: 2.0758964393933224
Energy: 2.0841034727668846
Energy: 2.1183655970788493
Energy: 2.1099138491325844
Energy: 2.5602840380952028
Energy: 2.1099138491335667
Energy: 2.1183655970788493
Energy: 2.1099138491335667
Energy: 2.1902294901841186
Energy: 2.0663973724548432
Energy: 2.165150866267814
Energy: 2.0663973724548432
Energy: 2.1902294901841186
Energy: 2.0663973724548432
Energy: 2.078015197909493
Energy: 2.0819753683415216
Energy: 1.998269617918564
Energy: 2.0819753683415216
Energy: 2.078015197909493
Energy: 2.0819753683415216
Energy: 2.186350053196443
Energy: 2.3895061276900913
Energy: 2.1652910107940717
Energy: 2.38950612768911
Energy: 2.186350053196443
Energy: 2.38950612768911
Energy: 1.9912606839376843
Energy: 2.109018578357699
Energy: 1.9912880327942895
Energy: 2.109018578357699
Energy: 1.9912606839376843
Energy: 2.109018578357699
Energy: 2.1652668321461963
Energy: 2.3895061276900913
Energy: 2.171709510111545
Energy: 2.3895061276900913
Energy: 2.1652668321461963
Energy: 2.38950612768911
Energy: 1.9982497564687063
Energy: 2.081994275598065
Energy: 2.0780122430417842
Energy: 2.081994275598065
Energy: 1.9982497564687063
Energy: 2.081994275598065
Energy: 2.1655981661874373
Energy: 2.0663468936459237
Energy: 2.190284301489892
Energy: 2.0663468936459237
Energy: 2.1655981661874373
Energy: 2.0663468936459237
Energy: 2.5602681149726756
Energy: 2.1099844180943195
Energy: 2.118456631354216
Energy: 2.109984418095301
Energy: 2.560268114971694
Energy: 2.1099844180943195
Energy: 1.99653049556655
Energy: 2.0840902146557925
Energy: 2.075825377848624
Energy: 2.0840902146557925
Energy: 1.9965304955675316
Energy: 2.0840902146557925
Energy: 2.0053661670557505
Energy: 2.08357825459644
Energy: 2.076204118593342
Energy: 2.08357825459644
Energy: 2.0053661670557505
Energy: 2.0835782545974215
Energy: 2.1027071945065434
Energy: 2.1097281957543403
Energy: 2.0936979339773063
Energy: 2.1097281957543403
Energy: 2.1027071945065434
Energy: 2.109728195755322
Energy: 2.0736485635009
Energy: 2.06617406815899
Energy: 2.093811146472455
Energy: 2.06617406815899
Energy: 2.0736485635009
Energy: 2.06617406815899
Energy: 2.0839096557659005
Energy: 2.082329149985065
Energy: 1.9906066499201587
Energy: 2.082329149985065
Energy: 2.0839096557659005
Energy: 2.082329149985065
Energy: 2.077252862947319
Energy: 2.081375293281471
Energy: 2.1657210549450756
Energy: 2.081375293281471
Energy: 2.077252862947319
Energy: 2.081375293281471
Energy: 2.101564194936153
Energy: 2.107604518901176
Energy: 2.151539330766638
Energy: 2.107604518901176
Energy: 2.101564194936153
Energy: 2.107604518901176

minimum gb energy = 1.9906066499201587 eV
minimum distance =  2.47439699011645 Angstroms
sigma value = 33


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

Energy: 2.5014656259870156
Energy: 2.2309118637011682
Energy: 2.1512637409462734
Energy: 2.2309118637011682
Energy: 2.5014656259870156
Energy: 2.2309118637011682
Energy: 2.1964639608905623
Energy: 2.1919009598286476
Energy: 2.2299957463830693
Energy: 2.1919009598286476
Energy: 2.196463960890004
Energy: 2.1919009598280894
Energy: 2.0845532399922324
Energy: 2.2328335316958676
Energy: 2.2272661130551956
Energy: 2.2328335316958676
Energy: 2.0845532399927906
Energy: 2.2328335316958676
Energy: 2.111518195808481
Energy: 2.1952229678129793
Energy: 2.219496875683257
Energy: 2.1952229678135375
Energy: 2.111518195808481
Energy: 2.1952229678135375
Energy: 2.1111445872876136
Energy: 2.196344274742592
Energy: 2.224605169728402
Energy: 2.19634427474315
Energy: 2.1111445872876136
Energy: 2.19634427474315
Energy: 2.120107990186816
Energy: 2.195175536346307
Energy: 2.1074112330538384
Energy: 2.195175536346307
Energy: 2.120107990186816
Energy: 2.195175536346307
Energy: 2.119729357776083
Energy: 2.1952816504717774
Energy: 2.193144819796993
Energy: 2.1952816504717774
Energy: 2.119729357776083
Energy: 2.1952816504717774
Energy: 2.1051131359737814
Energy: 2.1972744546228897
Energy: 2.433957164025617
Energy: 2.1972744546228897
Energy: 2.1051131359737814
Energy: 2.1972744546228897
Energy: 2.187310714517287
Energy: 2.1949660744186006
Energy: 2.2348731671009427
Energy: 2.1949660744180424
Energy: 2.187310714517287
Energy: 2.1949660744186006
Energy: 2.1192032568963297
Energy: 2.233090373478572
Energy: 2.1180136460849357
Energy: 2.233090373478572
Energy: 2.1192032568963297
Energy: 2.233090373479131
Energy: 2.143820751568129
Energy: 2.21779702835584
Energy: 2.2198841709327124
Energy: 2.21779702835584
Energy: 2.143820751568129
Energy: 2.2177970283552817
Energy: 2.21754633007804
Energy: 2.1968612786498007
Energy: 2.1441754502747465
Energy: 2.1968612786498007
Energy: 2.21754633007804
Energy: 2.1968612786498007
Energy: 2.2986644039726016
Energy: 2.2020110930227186
Energy: 2.2554964760193332
Energy: 2.2020110930227186
Energy: 2.2986644039726016
Energy: 2.2020110930227186
Energy: 2.1717748198195648
Energy: 2.232326507513889
Energy: 2.509413842661684
Energy: 2.232326507513331
Energy: 2.171774819819006
Energy: 2.232326507513331
Energy: 2.2178778382045374
Energy: 2.1957681914761316
Energy: 2.1752810595798713
Energy: 2.1957681914761316
Energy: 2.2178778382045374
Energy: 2.1957681914761316
Energy: 2.217685762367542
Energy: 2.1957546800900842
Energy: 2.1434507244289733
Energy: 2.1957546800900842
Energy: 2.2176857623681
Energy: 2.1957546800900842
Energy: 2.2165754333455565
Energy: 2.1958860755689273
Energy: 2.1180049987871485
Energy: 2.1958860755689273
Energy: 2.2165754333455565
Energy: 2.1958860755689273
Energy: 2.2168653783461254
Energy: 2.1916919403519075
Energy: 2.1751409993413238
Energy: 2.1916919403519075
Energy: 2.2168653783461254
Energy: 2.1916919403519075
Energy: 2.104260622707564
Energy: 2.1974200472322876
Energy: 2.434084801816393
Energy: 2.1974200472322876
Energy: 2.1042606227070055
Energy: 2.1974200472317293
Energy: 2.186120391969035
Energy: 2.193846378450849
Energy: 2.234591841059923
Energy: 2.193846378450849
Energy: 2.186120391969035
Energy: 2.1938463784514077
Energy: 2.25251120714798
Energy: 2.232627100806935
Energy: 2.1187822060913994
Energy: 2.2326271008074934
Energy: 2.25251120714798
Energy: 2.2326271008074934
Energy: 2.1390756368922297
Energy: 2.2191853362801095
Energy: 2.21832101904853
Energy: 2.2191853362801095
Energy: 2.1390756368922297
Energy: 2.2191853362801095
Energy: 2.110636941996692
Energy: 2.1971384631316804
Energy: 2.22434023941007
Energy: 2.197138463131122
Energy: 2.110636941996692
Energy: 2.1971384631316804
Energy: 2.218485568323911
Energy: 2.191812614268828
Energy: 2.1126376290035034
Energy: 2.191812614268828
Energy: 2.2184855683244695
Energy: 2.1918126142682697
Energy: 2.1346179474589357
Energy: 2.1968342759018946
Energy: 2.2270117018061297
Energy: 2.196834275902453
Energy: 2.1346179474594944
Energy: 2.1968342759018946
Energy: 2.161771809744101
Energy: 2.2296060400137847
Energy: 2.162999871803236
Energy: 2.2296060400137847
Energy: 2.161771809745218
Energy: 2.2296060400143434
Energy: 2.161520476344426
Energy: 2.229862204283954
Energy: 2.1630503609476035
Energy: 2.229862204283954
Energy: 2.1615204763449842
Energy: 2.229862204283954
Energy: 2.134758298012648
Energy: 2.196809006031516
Energy: 2.227006912106859
Energy: 2.196809006031516
Energy: 2.134758298012648
Energy: 2.196809006030958
Energy: 2.218512361378007
Energy: 2.1915278343023816
Energy: 2.1131442645694425
Energy: 2.1915278343023816
Energy: 2.218512361378007
Energy: 2.1915278343023816
Energy: 2.110635829562857
Energy: 2.1971400876730414
Energy: 2.1671904102507473
Energy: 2.1971400876730414
Energy: 2.110635829562857
Energy: 2.1971400876730414
Energy: 2.139075941370929
Energy: 2.2191853362801095
Energy: 2.2194148145849426
Energy: 2.219185336281226
Energy: 2.139075941370929
Energy: 2.219185336281226
Energy: 2.2525206818379604
Energy: 2.2326057583392913
Energy: 2.11877318649817
Energy: 2.2326057583398495
Energy: 2.2525206818379604
Energy: 2.2326057583398495
Energy: 2.185960207030745
Energy: 2.1938120634573566
Energy: 2.235618529141167
Energy: 2.1938120634573566
Energy: 2.185960207030745
Energy: 2.193812063456798
Energy: 2.1042561330595744
Energy: 2.1974281192537215
Energy: 2.4881561518058026
Energy: 2.1974281192531633
Energy: 2.1042561330595744
Energy: 2.1974281192531633
Energy: 2.2168299284155304
Energy: 2.191659534241499
Energy: 2.2503598525155906
Energy: 2.191659534241499
Energy: 2.2168299284155304
Energy: 2.191659534241499
Energy: 2.216643892393412
Energy: 2.19591725623081
Energy: 2.117997710210108
Energy: 2.19591725623081
Energy: 2.216643892393412
Energy: 2.19591725623081
Energy: 2.217660163291183
Energy: 2.1957258374797424
Energy: 2.108315392573031
Energy: 2.1957258374797424
Energy: 2.217660163291183
Energy: 2.1957258374803006
Energy: 2.217870613504668
Energy: 2.1957858996639996
Energy: 2.175170626718741
Energy: 2.1957858996634414
Energy: 2.217870613504668
Energy: 2.195785899662883
Energy: 2.1717664747082948
Energy: 2.232328544353287
Energy: 2.5094201265589504
Energy: 2.232328544353287
Energy: 2.1717664747082948
Energy: 2.232328544353287
Energy: 2.2976745020433396
Energy: 2.2022878604627105
Energy: 2.1961178248532973
Energy: 2.202287860463269
Energy: 2.2976745020438987
Energy: 2.202287860463269
Energy: 2.217566530259516
Energy: 2.1968691988537445
Energy: 2.1101451648672014
Energy: 2.1968691988537445
Energy: 2.217566530259516
Energy: 2.1968691988537445

minimum gb energy = 2.0845532399922324 eV
minimum distance =  2.43487033479005 Angstroms
sigma value = 51


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

Energy: 2.290301065836119
Energy: 2.305595438975094
Energy: 2.3749717032262154
Energy: 2.305595438975094
Energy: 2.290301065836119
Energy: 2.3055954389738007
Energy: 2.2166088027671482
Energy: 2.3421858919757073
Energy: 2.4227145917440995
Energy: 2.3421858919744136
Energy: 2.2166088027671482
Energy: 2.3421858919744136
Energy: 2.1229241137127763
Energy: 2.305320851495467
Energy: 2.3407923305331155
Energy: 2.305320851495467
Energy: 2.12292411371407
Energy: 2.305320851495467
Energy: 2.134622977641127
Energy: 2.237139309033896
Energy: 2.3428789195549995
Energy: 2.237139309033896
Energy: 2.134622977641127
Energy: 2.237139309033896
Energy: 2.134128766728195
Energy: 2.2317808851930034
Energy: 2.340445321757217
Energy: 2.2317808851930034
Energy: 2.134128766729489
Energy: 2.2317808851930034
Energy: 2.33524611891359
Energy: 2.236573109063101
Energy: 2.390924327918489
Energy: 2.236573109063101
Energy: 2.33524611891359
Energy: 2.236573109063101
Energy: 2.332657184445784
Energy: 2.2349003794489533
Energy: 2.345716410213774
Energy: 2.2349003794502473
Energy: 2.332657184445784
Energy: 2.2349003794489533
Energy: 2.1378049204719956
Energy: 2.234298164102898
Energy: 2.1157579881274264
Energy: 2.234298164102898
Energy: 2.1378049204719956
Energy: 2.234298164102898
Energy: 2.3353718936330137
Energy: 2.3586826217159587
Energy: 2.14550339677406
Energy: 2.3586826217172527
Energy: 2.3353718936330137
Energy: 2.3586826217159587
Energy: 2.1278481364290505
Energy: 2.2984523525770277
Energy: 2.1141700951930904
Energy: 2.2984523525770277
Energy: 2.1278481364290505
Energy: 2.2984523525770277
Energy: 2.3362695370755913
Energy: 2.23159071425573
Energy: 2.342481123193943
Energy: 2.23159071425573
Energy: 2.3362695370755913
Energy: 2.23159071425573
Energy: 2.2934578013715026
Energy: 2.2984841938937732
Energy: 2.390851224864035
Energy: 2.298484193892479
Energy: 2.2934578013715026
Energy: 2.2984841938937732
Energy: 2.2203316897267826
Energy: 2.2356208181950747
Energy: 2.3418487905282928
Energy: 2.2356208181950747
Energy: 2.220331689725489
Energy: 2.2356208181950747
Energy: 2.1276464691688406
Energy: 2.2996230415289145
Energy: 2.340717176074784
Energy: 2.2996230415289145
Energy: 2.1276464691688406
Energy: 2.299623041527621
Energy: 2.1239738794597387
Energy: 2.2947750177458874
Energy: 2.3426181650676385
Energy: 2.2947750177458874
Energy: 2.1239738794597387
Energy: 2.2947750177458874
Energy: 2.1242354668111387
Energy: 2.2321330154292305
Energy: 2.3410309696687803
Energy: 2.2321330154292305
Energy: 2.1242354668111387
Energy: 2.2321330154292305
Energy: 2.2902964024623187
Energy: 2.2947999866527202
Energy: 2.3817717487588173
Energy: 2.2947999866527202
Energy: 2.2902964024623187
Energy: 2.2947999866527202
Energy: 2.3372891225708674
Energy: 2.2356980837165445
Energy: 2.343302378136376
Energy: 2.2356980837165445
Energy: 2.3372891225708674
Energy: 2.2356980837165445

minimum gb energy = 2.1141700951930904 eV
minimum distance =  2.4380151488736 Angstroms
sigma value = 19


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

Energy: 2.4620269949533506
Energy: 2.357149798054674
Energy: 2.3884798366827913
Energy: 2.357149798054674
Energy: 2.4620269949525833
Energy: 2.357149798054674
Energy: 2.223393885014001
Energy: 2.3592420873989113
Energy: 2.3142318057183595
Energy: 2.3592420873996787
Energy: 2.2233938850147688
Energy: 2.3592420873989113
Energy: 2.195385601683243
Energy: 2.375485379680071
Energy: 2.281732734713008
Energy: 2.375485379680071
Energy: 2.195385601683243
Energy: 2.375485379680071
Energy: 2.2466335079340602
Energy: 2.3385977679648438
Energy: 2.298307479793216
Energy: 2.3385977679648438
Energy: 2.2466335079340602
Energy: 2.3385977679648438
Energy: 2.2470145258134613
Energy: 2.355633940537607
Energy: 2.4576422315718855
Energy: 2.355633940537607
Energy: 2.2470145258142287
Energy: 2.355633940537607
Energy: 2.457360319340285
Energy: 2.355916584008398
Energy: 2.246799458394309
Energy: 2.355916584008398
Energy: 2.457360319340285
Energy: 2.355916584008398
Energy: 2.2983319365007544
Energy: 2.3385957143592306
Energy: 2.2466378581126665
Energy: 2.3385957143592306
Energy: 2.2983319365007544
Energy: 2.3385957143592306
Energy: 2.28195652803409
Energy: 2.3754615779120796
Energy: 2.1953872483316212
Energy: 2.3754615779120796
Energy: 2.28195652803409
Energy: 2.3754615779120796
Energy: 2.3142222892130073
Energy: 2.359289493993778
Energy: 2.2086685154298085
Energy: 2.359289493993778
Energy: 2.3142222892130073
Energy: 2.359289493993778
Energy: 2.327916160690281
Energy: 2.357149798054674
Energy: 2.4620269949533506
Energy: 2.357149798054674
Energy: 2.327916160690281
Energy: 2.357149798054674
Energy: 2.3142318057183595
Energy: 2.3592420873996787
Energy: 2.222151197954886
Energy: 2.3592420873989113
Energy: 2.3142318057183595
Energy: 2.3592420873989113
Energy: 2.281732734713008
Energy: 2.375485379680071
Energy: 2.195385601683243
Energy: 2.375485379680071
Energy: 2.281732734713008
Energy: 2.375485379680071
Energy: 2.298307479793216
Energy: 2.3385977679648438
Energy: 2.2466335079332933
Energy: 2.3385977679648438
Energy: 2.298307479793216
Energy: 2.3385977679648438
Energy: 2.4576422315718855
Energy: 2.355633940537607
Energy: 2.2470145258134613
Energy: 2.355633940537607
Energy: 2.4576422315718855
Energy: 2.355633940537607
Energy: 2.246799458394309
Energy: 2.355916584008398
Energy: 2.4201156375236206
Energy: 2.355916584008398
Energy: 2.246799458394309
Energy: 2.355916584008398
Energy: 2.2525825912158277
Energy: 2.3385957143592306
Energy: 2.2983319365007544
Energy: 2.3385957143592306
Energy: 2.2525825912158277
Energy: 2.3385957143592306
Energy: 2.1953872483316212
Energy: 2.3754615779120796
Energy: 2.28195652803409
Energy: 2.3754615779120796
Energy: 2.1953872483316212
Energy: 2.3754615779120796
Energy: 2.2086685154298085
Energy: 2.359289493993778
Energy: 2.3142222892130073
Energy: 2.359289493993778
Energy: 2.2086685154298085
Energy: 2.359289493993778
Energy: 2.4620269949533506
Energy: 2.357149798054674
Energy: 2.327916160690281
Energy: 2.357149798054674
Energy: 2.4620269949525833
Energy: 2.357149798054674
Energy: 2.222151197955654
Energy: 2.3592420873989113
Energy: 2.3142318057183595
Energy: 2.3592420873989113
Energy: 2.222151197955654
Energy: 2.3592420873989113
Energy: 2.195385601683243
Energy: 2.375485379680071
Energy: 2.281732734713008
Energy: 2.375485379680071
Energy: 2.195385601683243
Energy: 2.375485379680071
Energy: 2.2466335079340602
Energy: 2.3385977679648438
Energy: 2.298307479793216
Energy: 2.3385977679648438
Energy: 2.2466335079340602
Energy: 2.3385977679648438
Energy: 2.2470145258134613
Energy: 2.355633940537607
Energy: 2.4576422315718855
Energy: 2.355633940537607
Energy: 2.2470145258142287
Energy: 2.355633940537607
Energy: 2.373114623472076
Energy: 2.355916584008398
Energy: 2.246799458394309
Energy: 2.355916584008398
Energy: 2.373114623472076
Energy: 2.355916584008398
Energy: 2.2983319365007544
Energy: 2.3385957143592306
Energy: 2.2576802491239163
Energy: 2.3385957143592306
Energy: 2.2983319365007544
Energy: 2.3385957143592306
Energy: 2.28195652803409
Energy: 2.3754615779120796
Energy: 2.1953872483316212
Energy: 2.3754615779120796
Energy: 2.28195652803409
Energy: 2.3754615779120796
Energy: 2.3142222892130073
Energy: 2.359289493993778
Energy: 2.2086685154298085
Energy: 2.359289493993778
Energy: 2.3142222892130073
Energy: 2.359289493993778
Energy: 2.3279161606895133
Energy: 2.357149798054674
Energy: 2.4620269949525833
Energy: 2.357149798054674
Energy: 2.327916160690281
Energy: 2.357149798054674
Energy: 2.3142318057183595
Energy: 2.3592420873989113
Energy: 2.222151197955654
Energy: 2.3592420873989113
Energy: 2.3142318057183595
Energy: 2.3592420873989113
Energy: 2.281732734713008
Energy: 2.375485379680071
Energy: 2.195385601683243
Energy: 2.375485379680071
Energy: 2.281732734713008
Energy: 2.375485379680071

minimum gb energy = 2.195385601683243 eV
minimum distance =  2.39100890972069 Angstroms
sigma value = 27


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

Energy: 2.0760113933616675
Energy: 2.229386812124665
Energy: 2.725730732735605
Energy: 2.229386812124665
Energy: 2.0760113933616675
Energy: 2.229386812124665
Energy: 2.0296751664833006
Energy: 2.185203175410141
Energy: 2.067203582637501
Energy: 2.1852031773453664
Energy: 2.0296751664833006
Energy: 2.1852031764284625
Energy: 2.067183286495398
Energy: 2.426568843784763
Energy: 2.105468833722514
Energy: 2.426568843784763
Energy: 2.067183286495398
Energy: 2.426568843784763
Energy: 2.076730626451074
Energy: 2.231581940008972
Energy: 2.067982148818569
Energy: 2.231581940008972
Energy: 2.076730626451074
Energy: 2.231581940008972
Energy: 2.1052177194174297
Energy: 2.2295778206271835
Energy: 2.0673830988452098
Energy: 2.2295778206271835
Energy: 2.1052177194174297
Energy: 2.2295778206271835
Energy: 2.066989468470007
Energy: 2.2895405551179864
Energy: 2.1060503323444575
Energy: 2.289456488160889
Energy: 2.066989468470007
Energy: 2.2895404443951897
Energy: 2.1042869067280114
Energy: 2.2001174347605508
Energy: 2.06720949275351
Energy: 2.2001174347605508
Energy: 2.1042869067280114
Energy: 2.2001174347605508
Energy: 2.0758364434849037
Energy: 2.2314063384683793
Energy: 2.1033910326498044
Energy: 2.2314063384683793
Energy: 2.0758364434849037
Energy: 2.2314063384683793
Energy: 2.0676650877217213
Energy: 2.2317834406901196
Energy: 2.104559710671037
Energy: 2.2317834406901196
Energy: 2.0676650877217213
Energy: 2.2317834406901196
Energy: 2.06688657541494
Energy: 2.431729198286763
Energy: 2.06687957459369
Energy: 2.431729198286763
Energy: 2.06688657541494
Energy: 2.431729198286763
Energy: 2.104502869258287
Energy: 2.231924747604457
Energy: 2.067829446503772
Energy: 2.231924747604457
Energy: 2.104502869258287
Energy: 2.231924747604457
Energy: 2.103120418767462
Energy: 2.231404129639811
Energy: 2.0758420462165255
Energy: 2.231404129639811
Energy: 2.103120418767462
Energy: 2.231404129639811

minimum gb energy = 2.0296751664833006 eV
minimum distance =  2.4319281720625 Angstroms
sigma value = 9


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

Energy: 2.5032389057171094
Energy: 2.4753810277593638
Energy: 2.3173477560968267
Energy: 2.4753810277593638
Energy: 2.5032389057171094
Energy: 2.4753810277593638
Energy: 2.30261914815355
Energy: 2.4594925908106227
Energy: 2.160790523370623
Energy: 2.462484801720439
Energy: 2.30261914815355
Energy: 2.4469854260720556
Energy: 2.1481991811328935
Energy: 2.51869795420116
Energy: 2.159280626020844
Energy: 2.51869795420116
Energy: 2.1481991811328935
Energy: 2.5186979542006314
Energy: 2.1609362011210904
Energy: 2.4580245241742746
Energy: 2.1212919254488254
Energy: 2.4580245241742746
Energy: 2.160936201120562
Energy: 2.4580245241742746
Energy: 2.156819478890326
Energy: 2.458734812787119
Energy: 2.1215692257935883
Energy: 2.458734812787119
Energy: 2.156819478890326
Energy: 2.458734812787119
Energy: 2.129236584135761
Energy: 2.424254834013299
Energy: 2.1510185361738623
Energy: 2.424254834013299
Energy: 2.129236584135761
Energy: 2.4397653707221045
Energy: 2.3418294264893222
Energy: 2.455277025445022
Energy: 2.1509419500449987
Energy: 2.455277025445022
Energy: 2.3418294264893222
Energy: 2.455277025445022
Energy: 2.2731662419980645
Energy: 2.4573193945910887
Energy: 2.192592732391349
Energy: 2.4573193945900322
Energy: 2.2731662419980645
Energy: 2.4573193945910887
Energy: 2.2930801693582668
Energy: 2.438305290090247
Energy: 2.1609157609355707
Energy: 2.438305290089767
Energy: 2.2930801693582668
Energy: 2.4383052900923596
Energy: 2.286496306858393
Energy: 2.502535929750509
Energy: 2.157104920779713
Energy: 2.502535929750509
Energy: 2.286496306858393
Energy: 2.502535929750509
Energy: 2.296862725199066
Energy: 2.4559137455104385
Energy: 2.158066851390652
Energy: 2.455913745510967
Energy: 2.2968627251980096
Energy: 2.4559137455104385
Energy: 2.1593743230034494
Energy: 2.4569176177618774
Energy: 2.1481983529631172
Energy: 2.4569176177618774
Energy: 2.1593743230034494
Energy: 2.4569176177618774
Energy: 2.1265878354883094
Energy: 2.405594607173134
Energy: 2.142864659785333
Energy: 2.405594607173134
Energy: 2.1265878354883094
Energy: 2.405594607173134
Energy: 2.341914414471335
Energy: 2.516364380016157
Energy: 2.142788421801618
Energy: 2.516364380016157
Energy: 2.341914414471335
Energy: 2.516364380016157
Energy: 2.1640440198187343
Energy: 2.455409476992721
Energy: 2.2330510387626985
Energy: 2.455409476992721
Energy: 2.1640440198187343
Energy: 2.455409476992721
Energy: 2.2684268290503886
Energy: 2.445091984300131
Energy: 2.1486628748224574
Energy: 2.445091984300131
Energy: 2.2684268290509166
Energy: 2.445091984300131
Energy: 2.286310466494059
Energy: 2.4750365520284494
Energy: 2.197473861691161
Energy: 2.4750365520284494
Energy: 2.286310466494059
Energy: 2.4750365520284494
Energy: 2.1230681054880347
Energy: 2.409081894792736
Energy: 2.1567948704410087
Energy: 2.409081894792736
Energy: 2.123068105488563
Energy: 2.409081894792736
Energy: 2.2716017682637353
Energy: 2.5120757378624172
Energy: 2.126162728690343
Energy: 2.5120757378624172
Energy: 2.2716017682637353
Energy: 2.5120757378624172
Energy: 2.1261618899549357
Energy: 2.5560649052156212
Energy: 2.1261486193893
Energy: 2.5560649052156212
Energy: 2.1261618899549357
Energy: 2.5560649052166777
Energy: 2.1262209542506727
Energy: 2.511979335480308
Energy: 2.2716075622571226
Energy: 2.511979335480308
Energy: 2.126220954251729
Energy: 2.511979335480308
Energy: 2.1568410522217083
Energy: 2.409656622864412
Energy: 2.122979633932682
Energy: 2.409656622864412
Energy: 2.1568410522217083
Energy: 2.409656622864412
Energy: 2.1975868458873102
Energy: 2.475037589805881
Energy: 2.286062770852474
Energy: 2.475037589805352
Energy: 2.1975868458873102
Energy: 2.475037589805352
Energy: 2.148763461051296
Energy: 2.4451180082538833
Energy: 2.2684362571080667
Energy: 2.4451180082538833
Energy: 2.148763461051296
Energy: 2.4451180082538833
Energy: 2.2548289836335296
Energy: 2.4560503126328306
Energy: 2.164023458285421
Energy: 2.4560503126328306
Energy: 2.2548289836335296
Energy: 2.456050312631774
Energy: 2.143059582515872
Energy: 2.487866071892952
Energy: 2.341895053809817
Energy: 2.487866071892424
Energy: 2.143059582515344
Energy: 2.487866071892952
Energy: 2.142870433205951
Energy: 2.4062626057775
Energy: 2.1264248263341017
Energy: 2.406262605776443
Energy: 2.1428704332064785
Energy: 2.406262605776443
Energy: 2.1482565742051243
Energy: 2.4567606719273107
Energy: 2.159714157218559
Energy: 2.4567606719262542
Energy: 2.1482565742051243
Energy: 2.4567606719262542
Energy: 2.158097419038582
Energy: 2.4560692718941124
Energy: 2.2053846810316733
Energy: 2.4560692718941124
Energy: 2.158097419038582
Energy: 2.4560692718941124
Energy: 2.1571064388731656
Energy: 2.50317686820314
Energy: 2.2862315888850304
Energy: 2.50317686820314
Energy: 2.1571064388731656
Energy: 2.50317686820314
Energy: 2.197050944149482
Energy: 2.438305290091303
Energy: 2.2930621488055936
Energy: 2.438305290091303
Energy: 2.197050944149482
Energy: 2.438305290091831
Energy: 2.19274919812898
Energy: 2.457317418532895
Energy: 2.2731371516317416
Energy: 2.4573174185339512
Energy: 2.19274919812898
Energy: 2.4573174185339512
Energy: 2.1508985248079813
Energy: 2.455235698657467
Energy: 2.492492433423791
Energy: 2.455235698657467
Energy: 2.1508985248079813
Energy: 2.455235698657467
Energy: 2.1502643449052505
Energy: 2.400476066468081
Energy: 2.129238447219067
Energy: 2.400476066468081
Energy: 2.1502643449052505
Energy: 2.400476066468081
Energy: 2.140994674093461
Energy: 2.4590034772154676
Energy: 2.156812065761555
Energy: 2.4590034772154676
Energy: 2.140994674092405
Energy: 2.4590034772154676
Energy: 2.1214010221995254
Energy: 2.458098184918755
Energy: 2.1609210119743083
Energy: 2.458098184918755
Energy: 2.1214010221995254
Energy: 2.458098184918755
Energy: 2.159892847341879
Energy: 2.5189297902960597
Energy: 2.1481928530292076
Energy: 2.5189297902965873
Energy: 2.159892847341879
Energy: 2.5189297902965873
Energy: 2.161328678624346
Energy: 2.462484801721495
Energy: 2.3022301647889765
Energy: 2.462484801721495
Energy: 2.161328678624346
Energy: 2.462484801721495
Energy: 2.325230922709518
Energy: 2.4753810277588357
Energy: 2.5032389057171094
Energy: 2.4753810277593638
Energy: 2.325230922714271
Energy: 2.4753810277588357
Energy: 2.160790523371679
Energy: 2.4469854260720556
Energy: 2.30261914815355
Energy: 2.4469854260715276
Energy: 2.160790523371679
Energy: 2.4469854260720556
Energy: 2.159280626020844
Energy: 2.5186979542006314
Energy: 2.1481991811328935
Energy: 2.51869795420116
Energy: 2.159280626020844
Energy: 2.51869795420116
Energy: 2.121291925449882
Energy: 2.4580245241742746
Energy: 2.1609362011210904
Energy: 2.4580245241742746
Energy: 2.121291925449882
Energy: 2.4580245241742746
Energy: 2.1215692257935883
Energy: 2.458734812787119
Energy: 2.156819478890326
Energy: 2.458734812788175
Energy: 2.1215692257935883
Energy: 2.458734812788175

minimum gb energy = 2.1212919254488254 eV
minimum distance =  2.37886871642069 Angstroms
sigma value = 57


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

Energy: 2.21487388531819
Energy: 2.1025868128245198
Energy: 2.3301570915725103
Energy: 2.1025868128245198
Energy: 2.21487388531819
Energy: 2.1025868128245198
Energy: 1.912938688275166
Energy: 2.4807732157266886
Energy: 1.9462260709892607
Energy: 2.480773215727891
Energy: 1.912938688275166
Energy: 2.480773215727891
Energy: 1.917700786263338
Energy: 2.407054917168415
Energy: 1.9902507899851056
Energy: 2.407054917168415
Energy: 1.917700786263338
Energy: 2.407054917168415
Energy: 1.9461827444401134
Energy: 2.382593424189251
Energy: 1.9460655018143456
Energy: 2.3825934241880478
Energy: 1.9461827444401134
Energy: 2.382593424189251
Energy: 1.9454446607840483
Energy: 2.1022054315650305
Energy: 1.9455655229626367
Energy: 2.1022054315662326
Energy: 1.9454446607840483
Energy: 2.1022054315650305
Energy: 1.9467646797156781
Energy: 2.4070760487067706
Energy: 1.9186449695261547
Energy: 2.4070760487067706
Energy: 1.9467646797156781
Energy: 2.4070760487067706
Energy: 1.9467155271185794
Energy: 2.407136715000198
Energy: 1.9187699014167707
Energy: 2.407136715000198
Energy: 1.9467155271185794
Energy: 2.407136715000198
Energy: 1.9454431568585242
Energy: 2.1013006833110306
Energy: 1.9456034385545131
Energy: 2.1013006833110306
Energy: 1.9454431568585242
Energy: 2.1013006833110306
Energy: 1.9462014200314652
Energy: 2.3825669177501294
Energy: 1.945997192398496
Energy: 2.3825669177501294
Energy: 1.9462014200314652
Energy: 2.3825669177501294
Energy: 1.917685810900975
Energy: 2.407009643274916
Energy: 1.990159502552867
Energy: 2.407009643274916
Energy: 1.917685810900975
Energy: 2.407009643274916
Energy: 1.9129016330171078
Energy: 2.480773215727891
Energy: 1.9459677841864678
Energy: 2.480773215727891
Energy: 1.9129016330171078
Energy: 2.480773215727891
Energy: 2.21487388531819
Energy: 2.1025868128245198
Energy: 2.229284009249383
Energy: 2.1025868128245198
Energy: 2.21487388531819
Energy: 2.1025868128245198
Energy: 1.912938688275166
Energy: 2.4807732157266886
Energy: 1.946226070990463
Energy: 2.480773215727891
Energy: 1.912938688275166
Energy: 2.480773215727891
Energy: 1.917700786263338
Energy: 2.407054917168415
Energy: 1.9902507899454314
Energy: 2.407054917168415
Energy: 1.917700786263338
Energy: 2.407054917168415
Energy: 1.9461827444413158
Energy: 2.382593424189251
Energy: 2.030977839923671
Energy: 2.382593424189251
Energy: 1.9461827444401134
Energy: 2.382593424189251
Energy: 1.9454446607840483
Energy: 2.1022054315650305
Energy: 1.9455655229626367
Energy: 2.1022054315650305
Energy: 1.9454446607840483
Energy: 2.1022054315650305
Energy: 1.9467646797156781
Energy: 2.4070760487067706
Energy: 1.9186449695261547
Energy: 2.4070760487067706
Energy: 1.9467646797156781
Energy: 2.4070760487067706
Energy: 1.9467155271185794
Energy: 2.407136715000198
Energy: 1.9187699014167707
Energy: 2.407136715000198
Energy: 1.9467155271185794
Energy: 2.407136715000198
Energy: 1.9454431568585242
Energy: 2.1013006833110306
Energy: 2.0309668320671608
Energy: 2.1013006833098276
Energy: 1.9454431568585242
Energy: 2.1013006833110306

minimum gb energy = 1.9129016330171078 eV
minimum distance =  2.46507427226929 Angstroms
sigma value = 11


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

Energy: 2.0924865164537025
Energy: 1.8836114318724138
Energy: 1.967137996433229
Energy: 1.8836114318715327
Energy: 2.0924865164537025
Energy: 1.88361143186801
Energy: 2.1920506971470584
Energy: 1.9287982895590445
Energy: 1.825255278437974
Energy: 1.9287982895599254
Energy: 2.192050697146178
Energy: 1.9287982895599254
Energy: 2.2214890824376807
Energy: 1.9298661745236847
Energy: 1.888361542571704
Energy: 1.9298661745210426
Energy: 2.2214890824376807
Energy: 1.9298661745139971
Energy: 2.1570869221940643
Energy: 1.884757810498047
Energy: 1.8795497855533911
Energy: 1.8847578117788677
Energy: 2.1570869221940643
Energy: 1.8847578116688637
Energy: 1.8995834310454285
Energy: 2.3739090749986307
Energy: 1.932461263781953
Energy: 2.3739090749986307
Energy: 1.8995834310454285
Energy: 2.3739090749986307
Energy: 1.9283462480730793
Energy: 2.165654420588538
Energy: 1.9194348647584938
Energy: 2.165654420590299
Energy: 1.9283462480739602
Energy: 2.1656544205920607
Energy: 1.9116200341123954
Energy: 1.8279555019350964
Energy: 1.921660765482085
Energy: 1.8279555019359768
Energy: 1.9116200341123954
Energy: 1.8279555019333347
Energy: 2.10946306784758
Energy: 2.360334903227938
Energy: 1.861852972090033
Energy: 2.360334903227938
Energy: 2.109463067848461
Energy: 2.360334903227938
Energy: 2.106972997712009
Energy: 1.8297420704817595
Energy: 2.1429517577883357
Energy: 1.8297420704932088
Energy: 2.1069729977111287
Energy: 1.8297420704861633
Energy: 1.8878725932799634
Energy: 1.829208014682741
Energy: 1.9192701289215195
Energy: 1.829208014682741
Energy: 1.8878725932799634
Energy: 1.8292080146818606
Energy: 1.9326786442968285
Energy: 2.0951391829045867
Energy: 1.9214904026014819
Energy: 2.095139182903706
Energy: 1.9326786442968285
Energy: 2.095139182903706
Energy: 1.8773618572586308
Energy: 2.362385168640703
Energy: 1.8789103874396926
Energy: 2.362385168640703
Energy: 1.8773618572586308
Energy: 2.362385168640703
Energy: 2.2097235570667055
Energy: 1.8845896661799542
Energy: 1.9323150709535044
Energy: 1.884589666179074
Energy: 2.2097235570667055
Energy: 1.884589666179074
Energy: 1.9226723672300048
Energy: 1.876236475638971
Energy: 1.8879265860564882
Energy: 1.8762364756398515
Energy: 1.9226723672300048
Energy: 1.8762364756407324
Energy: 2.192139735739354
Energy: 1.9288736444685202
Energy: 1.8363949107691302
Energy: 1.9288736444685202
Energy: 2.192139735740235
Energy: 1.9288736444685202
Energy: 1.9715313533941765
Energy: 1.8790975652135784
Energy: 1.950396285027133
Energy: 1.8790975652171011
Energy: 1.9715313533941765
Energy: 1.879097565209175
Energy: 2.1579772929911156
Energy: 1.9294577108250133
Energy: 1.8846269302473573
Energy: 1.929457710819729
Energy: 2.1579772929919967
Energy: 1.929457710819729
Energy: 1.9220278736343905
Energy: 1.8757178783334543
Energy: 1.951103237732049
Energy: 1.8757178783334543
Energy: 1.9220278736335097
Energy: 1.8757178783334543
Energy: 2.158774764590593
Energy: 1.8840005231770105
Energy: 1.8758248119479628
Energy: 1.8840005231884596
Energy: 2.158774764590593
Energy: 1.8840005231884596
Energy: 1.877533195695762
Energy: 1.8560709615643327
Energy: 1.9335961053595547
Energy: 1.8560709612263138
Energy: 1.877533195695762
Energy: 1.8560709614296695
Energy: 2.293920498658611
Energy: 2.167497485739816
Energy: 1.9195134402050786
Energy: 2.1674974857406966
Energy: 2.29392049865773
Energy: 2.167497485738935
Energy: 1.8885017933761088
Energy: 1.8316666928354728
Energy: 1.9233780598091876
Energy: 1.831666692836353
Energy: 1.8885017933769896
Energy: 1.831666692836353
Energy: 2.1138763726263856
Energy: 2.359984862844409
Energy: 1.862243401397522
Energy: 2.359984862844409
Energy: 2.1138763726263856
Energy: 2.359984862844409
Energy: 1.8255264636912136
Energy: 1.8556793149445372
Energy: 2.143409404845727
Energy: 1.8556793149480602
Energy: 1.8255264636912136
Energy: 1.8556793149480602
Energy: 1.886494861458277
Energy: 1.8313733202330058
Energy: 1.9196140670306845
Energy: 1.8313733202330058
Energy: 1.886494861458277
Energy: 1.8313733202338867
Energy: 1.9366533419212135
Energy: 2.1351568465555433
Energy: 1.9227892531202755
Energy: 2.1351568465555433
Energy: 1.9366533419220944
Energy: 2.1351568465546626

minimum gb energy = 1.825255278437974 eV
minimum distance =  2.43204073131251 Angstroms
sigma value = 41


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

Energy: 2.2084602585754416
Energy: 2.2409286648983358
Energy: 2.0742159334751946
Energy: 2.2409286648983358
Energy: 2.2084602585754416
Energy: 2.2409286648983358
Energy: 2.3855720110510843
Energy: 1.842288613460889
Energy: 1.7164261068587305
Energy: 1.8422886134615832
Energy: 2.3855720110510843
Energy: 1.842288613460889
Energy: 1.8408110556903128
Energy: 2.1832019093921367
Energy: 1.8787990577849192
Energy: 2.1832019093914425
Energy: 1.8408110556903128
Energy: 2.1832019093921367
Energy: 2.189347884335214
Energy: 1.75114458294162
Energy: 1.716090034421751
Energy: 1.75114458294162
Energy: 2.189347884335214
Energy: 1.75114458294162
Energy: 1.901659301948654
Energy: 1.821450352175137
Energy: 1.7511522879982153
Energy: 1.8214503521744427
Energy: 1.901659301948654
Energy: 1.821450352175137
Energy: 1.9976387327848348
Energy: 2.1503722792789657
Energy: 1.7153317602475984
Energy: 2.1503722792789657
Energy: 1.9976387327848348
Energy: 2.1503722792789657
Energy: 1.7274535592530456
Energy: 1.717665409914838
Energy: 1.7177898812578203
Energy: 1.7176654099162263
Energy: 1.7274535592523514
Energy: 1.7176654099162263
Energy: 2.095916084717987
Energy: 2.1221205573015345
Energy: 1.7404319840222107
Energy: 2.12212055730084
Energy: 2.095916084717987
Energy: 2.12212055730084
Energy: 1.7609502515972972
Energy: 1.821015055466627
Energy: 1.9546286853465538
Energy: 1.821015055466627
Energy: 1.7609502515972972
Energy: 1.821015055466627
Energy: 2.011028585909792
Energy: 2.1590480133477876
Energy: 1.9727218155602055
Energy: 2.1590480133477876
Energy: 2.011028585909792
Energy: 2.1590480133477876
Energy: 2.0070359695028666
Energy: 2.158654886312155
Energy: 1.9717333043657275
Energy: 2.158654886312155
Energy: 2.0070359695028666
Energy: 2.158654886311461
Energy: 1.7491541314291745
Energy: 1.7181645010715292
Energy: 1.74024999971085
Energy: 2.1929758147529843
Energy: 1.7491541314298686
Energy: 1.7181645010715292
Energy: 1.7613383860004463
Energy: 2.1532589407617335
Energy: 1.9545750295300304
Energy: 2.1532589407617335
Energy: 1.7613383860011405
Energy: 2.1532589407617335
Energy: 1.7155258670207894
Energy: 2.159162021723728
Energy: 1.7152797788171317
Energy: 2.159162021724423
Energy: 1.7155258670207894
Energy: 2.159162021723728
Energy: 1.9949092030177453
Energy: 1.74849042146435
Energy: 1.717752962695436
Energy: 1.7484904214622679
Energy: 1.9949092030177453
Energy: 1.748490421463656
Energy: 1.7155167730648795
Energy: 2.155722533570794
Energy: 1.7156244654153594
Energy: 2.1936220949841028
Energy: 1.7155167730648795
Energy: 2.1557225335700996
Energy: 1.9554199914379284
Energy: 2.2026093770748156
Energy: 1.7504534132195748
Energy: 2.2026093770741215
Energy: 1.9554199914379284
Energy: 2.2026093770748156
Energy: 1.7391544333395494
Energy: 2.1585719861019514
Energy: 1.7482626309309726
Energy: 2.1585719861019514
Energy: 1.7391544333395494
Energy: 2.1585719861019514
Energy: 2.3851287171046267
Energy: 1.842047387443159
Energy: 1.71734429938572
Energy: 1.842047387443159
Energy: 2.3851287171046267
Energy: 1.842047387443159
Energy: 1.9723226275115018
Energy: 2.155541292492138
Energy: 2.008035412731341
Energy: 2.1932420851953576
Energy: 1.9723226275115018
Energy: 2.155541292492138
Energy: 2.3873617709988233
Energy: 1.840691590655391
Energy: 1.7589771618712173
Energy: 1.840691590656085
Energy: 2.3873617709981287
Energy: 1.840691590655391
Energy: 1.7392364797370956
Energy: 2.158740447153288
Energy: 1.78761085015257
Energy: 2.158740447153288
Energy: 1.7392364797370956
Energy: 2.158740447153288
Energy: 1.9713672080595785
Energy: 1.7520401888539894
Energy: 1.7172617235248138
Energy: 1.7520401888539894
Energy: 1.9713672080602729
Energy: 1.752040188853295
Energy: 1.7156495589175305
Energy: 2.150878010320555
Energy: 1.878572734038992
Energy: 1.7384173478894662
Energy: 1.7156495589175305
Energy: 2.150878010320555
Energy: 1.8779276920706651
Energy: 2.15017284432236
Energy: 1.716618909889138
Energy: 2.15017284432236
Energy: 1.8779276920706651
Energy: 2.15017284432236
Energy: 1.715649084706696
Energy: 1.7605448183114165
Energy: 1.84122137327979
Energy: 1.75124335254082
Energy: 1.7156490847060017
Energy: 1.7383747417166049
Energy: 2.097023489692785
Energy: 2.157739417747371
Energy: 1.7410552662817842
Energy: 2.157739417747371
Energy: 2.097023489692785
Energy: 2.157739417747371
Energy: 1.7486748439806252
Energy: 2.1800281785725013
Energy: 1.9555556501436886
Energy: 2.01917414705185
Energy: 1.7486748439806252
Energy: 2.1800281785725013
Energy: 2.00700986382869
Energy: 2.158086415190685
Energy: 1.9721125446373833
Energy: 2.158086415190685
Energy: 2.00700986382869
Energy: 2.158086415190685
Energy: 1.715267284436107
Energy: 1.7385655726277383
Energy: 1.9714803517745036
Energy: 1.7610394191965473
Energy: 1.715267284436107
Energy: 1.7385655726277383
Energy: 1.7503649543287945
Energy: 2.1574195788381774
Energy: 1.742504260653065
Energy: 2.1574195788381774
Energy: 1.7503649543287945
Energy: 2.1574195788381774
Energy: 1.7484175936995126
Energy: 2.2013848599827637
Energy: 1.9552941384244629
Energy: 2.201384859983458
Energy: 1.7484175936995126
Energy: 2.201384859983458
Energy: 1.7174985803330503
Energy: 2.1578160842849634
Energy: 1.7168908530673166
Energy: 2.1578160842849634
Energy: 1.7174985803337446
Energy: 2.1578160842849634

minimum gb energy = 1.715267284436107 eV
minimum distance =  2.46592505135645 Angstroms
sigma value = 33


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

Energy: 1.9301899417281092
Energy: 1.9566194336972542
Energy: 1.7620152702645095
Energy: 1.9566194336972542
Energy: 1.9301899417281092
Energy: 1.9566194336972542
Energy: 2.5595488719920634
Energy: 1.6249570572852796
Energy: 1.5724054913662946
Energy: 1.6249570572852796
Energy: 2.5595488719920634
Energy: 1.6249570572852796
Energy: 1.8912963831031893
Energy: 1.9567962812129596
Energy: 1.7386000174569305
Energy: 1.9567962812129596
Energy: 1.8912963831031893
Energy: 1.9567962812129596
Energy: 2.3748586730971275
Energy: 1.5877653064823343
Energy: 1.5721860355531578
Energy: 1.5877653064823343
Energy: 2.3748586730971275
Energy: 1.5877653064823343
Energy: 1.6534790293323895
Energy: 1.9197050960698698
Energy: 1.5841733695896505
Energy: 1.9197050960698698
Energy: 1.6534790293323895
Energy: 1.9197050960698698
Energy: 2.014725146464421
Energy: 1.8877544616968458
Energy: 1.571889340568606
Energy: 1.8877544616968458
Energy: 2.014725146464421
Energy: 1.8877544616968458
Energy: 1.6314494207921844
Energy: 1.9061727480769357
Energy: 1.5662499120710356
Energy: 1.9061727480769357
Energy: 1.6314494207921844
Energy: 1.9061727480769357
Energy: 1.8790697810761212
Energy: 1.849821527949534
Energy: 1.5741099287446798
Energy: 1.849821527949534
Energy: 1.8790697810761212
Energy: 1.849821527949534
Energy: 1.5784954539942473
Energy: 1.9207590977594333
Energy: 1.7255920818337869
Energy: 1.9207590977594333
Energy: 1.5784954539942473
Energy: 1.9207590977594333
Energy: 1.7454083805838878
Energy: 1.9254905402368248
Energy: 1.7298605671209635
Energy: 1.9254905402368248
Energy: 1.7454083805838878
Energy: 1.9254905402368248
Energy: 1.5908761822355484
Energy: 1.9072194317027855
Energy: 1.7844703959054211
Energy: 1.9072194317027855
Energy: 1.5908761822355484
Energy: 1.9072194317027855
Energy: 2.093137827273795
Energy: 1.945506879940216
Energy: 1.7519189754726576
Energy: 1.945506879940216
Energy: 2.093137827273795
Energy: 1.945506879940216
Energy: 1.7359331686983193
Energy: 1.9191911889348605
Energy: 2.007894219861256
Energy: 1.9191911889348605
Energy: 1.7359331686983193
Energy: 1.9191911889348605
Energy: 1.7740929843175801
Energy: 1.9460662934722408
Energy: 2.0240826988416987
Energy: 1.9460662934722408
Energy: 1.7740929843175801
Energy: 1.9460662934722408
Energy: 1.7556498910950955
Energy: 1.892500727148104
Energy: 2.022510660756447
Energy: 1.892500727148104
Energy: 1.7556498910950955
Energy: 1.892500727148104
Energy: 1.755721156830207
Energy: 1.9455839524615368
Energy: 1.7533699432495364
Energy: 1.9455839524615368
Energy: 1.755721156830207
Energy: 1.9455839524615368
Energy: 1.7358380054726723
Energy: 1.9197389749515537
Energy: 2.0078959101970075
Energy: 1.9197389749515537
Energy: 1.7358380054726723
Energy: 1.9197389749515537
Energy: 1.5660319570970291
Energy: 1.9458501989363175
Energy: 1.731476135972802
Energy: 1.9458501989363175
Energy: 1.5660319570970291
Energy: 1.9458501989363175
Energy: 1.744609824705913
Energy: 1.9201064612530245
Energy: 1.7871400168094353
Energy: 1.9201064612530245
Energy: 1.744609824705913
Energy: 1.9201064612530245
Energy: 1.5692861857271634
Energy: 1.9451490243198064
Energy: 1.5741709586995805
Energy: 1.9451490243198064
Energy: 1.5692861857271634
Energy: 1.9451490243198064
Energy: 1.7263911907221365
Energy: 1.920104055142464
Energy: 1.7858556968876267
Energy: 1.920104055142464
Energy: 1.7263911907221365
Energy: 1.920104055142464
Energy: 1.571460060181348
Energy: 1.9458654156049082
Energy: 1.5722864460430668
Energy: 1.9458654156049082
Energy: 1.571460060181348
Energy: 1.9458654156049082
Energy: 2.013220539270264
Energy: 1.9405483955658136
Energy: 1.5660096469880838
Energy: 1.9405483955658136
Energy: 2.013220539270264
Energy: 1.9405483955658136
Energy: 1.59437219558225
Energy: 1.94507645429639
Energy: 1.5721486904181095
Energy: 1.94507645429639
Energy: 1.59437219558225
Energy: 1.94507645429639
Energy: 2.0092954152573377
Energy: 1.92249369356892
Energy: 1.755576582025379
Energy: 1.92249369356892
Energy: 2.0092954152573377
Energy: 1.92249369356892
Energy: 1.748257855071143
Energy: 1.9462256796195527
Energy: 1.5908466062771696
Energy: 1.9462256796195527
Energy: 1.748257855071143
Energy: 1.9462256796244242
Energy: 2.368255053327354
Energy: 1.5893248650790817
Energy: 1.5659704368086769
Energy: 1.589324865083953
Energy: 2.368255053327354
Energy: 1.5893248650790817
Energy: 1.79008521860623
Energy: 1.9449758713668452
Energy: 1.755849670839434
Energy: 1.9449758713668452
Energy: 1.79008521860623
Energy: 1.9449758713668452
Energy: 2.1897824270849293
Energy: 1.9129342580662052
Energy: 1.7558703712607677
Energy: 1.9129342580662052
Energy: 2.1897824270849293
Energy: 1.9129342580662052
Energy: 1.7482222273935684
Energy: 1.9458045013384837
Energy: 1.794074356288939
Energy: 1.9458045013384837
Energy: 1.7482222273935684
Energy: 1.9458045013384837
Energy: 2.201572901022571
Energy: 1.5886162364348524
Energy: 1.5661058539326118
Energy: 1.5886162364348524
Energy: 2.201572901022571
Energy: 1.5886162364348524
Energy: 1.5952745146672567
Energy: 1.9264609256981764
Energy: 1.75225339577634
Energy: 1.9264609256981764
Energy: 1.5952745146672567
Energy: 1.9264609256981764
Energy: 1.8719994103626596
Energy: 1.8890792150079474
Energy: 1.5697495701639994
Energy: 1.8890792150079474
Energy: 1.8719994103626596
Energy: 1.8890792150079474
Energy: 1.571914394752236
Energy: 1.8873641656283413
Energy: 1.8944914852890493
Energy: 1.8873641656283413
Energy: 1.571914394752236
Energy: 1.8873641656283413
Energy: 1.8944304720356095
Energy: 1.8874136378150685
Energy: 1.5715227255663529
Energy: 1.8874136378150685
Energy: 1.8944304720356095
Energy: 1.8874136378150685
Energy: 1.5697715325841968
Energy: 1.8890777041527944
Energy: 1.8720259034785345
Energy: 1.8890777041527944
Energy: 1.5697715325841968
Energy: 1.8890777041527944
Energy: 1.751649745562658
Energy: 1.9264346287156469
Energy: 1.5928061467234549
Energy: 1.9264346287156469
Energy: 1.751649745562658
Energy: 1.9264346287156469
Energy: 1.5663139853557928
Energy: 1.5875147006368644
Energy: 2.2015637584655545
Energy: 1.5875147006368644
Energy: 1.5663139853557928
Energy: 1.5875147006368644
Energy: 1.794074356288939
Energy: 1.945823027017795
Energy: 1.7485369824597286
Energy: 1.945823027017795
Energy: 1.794074356288939
Energy: 1.945823027017795
Energy: 1.6734819045133291
Energy: 1.9129200976060445
Energy: 2.1896827168905175
Energy: 1.9129200976060445
Energy: 1.6734819045133291
Energy: 1.9129200976060445
Energy: 1.7558629029381556
Energy: 1.9443528599738928
Energy: 1.790486857469153
Energy: 1.9443528599738928
Energy: 1.7558629029381556
Energy: 1.9443528599738928
Energy: 1.5662135188646118
Energy: 1.5896030826921728
Energy: 2.367912120866903
Energy: 1.5896030826921728
Energy: 1.5662135188646118
Energy: 1.5896030826921728
Energy: 1.5909359208326446
Energy: 1.9462526308734036
Energy: 1.7484011969088662
Energy: 1.9462526308734036
Energy: 1.5909359208326446
Energy: 1.9462526308734036
Energy: 1.672107461452545
Energy: 1.922469563241912
Energy: 2.0092405133019757
Energy: 1.922469563241912
Energy: 1.672107461452545
Energy: 1.922469563241912
Energy: 1.572038902025713
Energy: 1.945375665650834
Energy: 1.5940872819618934
Energy: 1.945375665650834
Energy: 1.572038902025713
Energy: 1.945375665650834
Energy: 1.5660277020495244
Energy: 1.9405483955658136
Energy: 2.013040978413749
Energy: 1.9405483955658136
Energy: 1.5660277020495244
Energy: 1.9405483955658136
Energy: 1.5723340846407228
Energy: 1.945998573995829
Energy: 1.5702897463466443
Energy: 1.945998573995829
Energy: 1.5723340846407228
Energy: 1.945998573995829

minimum gb energy = 1.5659704368086769 eV
minimum distance =  2.46971662504892 Angstroms
sigma value = 67


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

Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 2.3955110307615426
Energy: 0.6598301263047929
Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 0.632203392653784
Energy: 1.4219692509846125
Energy: 1.143613866149862
Energy: 1.4219692509846125
Energy: 0.632203392653784
Energy: 1.4219692509846125
Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 2.549646152554683
Energy: 0.6598301263047929
Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 0.632203392653784
Energy: 1.4219692509846125
Energy: 1.143613866149862
Energy: 1.4219692509846125
Energy: 0.632203392653784
Energy: 1.4219692509846125
Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 2.549646152479839
Energy: 0.6598301263047929
Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 0.632203392653784
Energy: 1.4219692509846125
Energy: 1.143613866149862
Energy: 1.4219692509846125
Energy: 0.632203392653784
Energy: 1.4219692509846125
Energy: 0.6871422889383725
Energy: 0.6598301263047929
Energy: 2.5496461524830942
Energy: 0.6598301263047929
Energy: 0.6871422889383725
Energy: 0.6598301263047929

minimum gb energy = 0.632203392653784 eV
minimum distance =  2.67462094387444 Angstroms
sigma value = 3


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

Energy: 2.086193659319754
Energy: 1.9661886015185788
Energy: 1.7786902945995164
Energy: 1.9661886015185788
Energy: 2.086193659319754
Energy: 1.9661886015185788
Energy: 2.543123622749099
Energy: 1.5320326745800128
Energy: 1.4904153885751608
Energy: 1.5320326745800128
Energy: 2.543123622749099
Energy: 1.5320326745800128
Energy: 2.0634904327518395
Energy: 1.8842747213091395
Energy: 1.76592138831673
Energy: 1.8842747213091395
Energy: 2.0634904327518395
Energy: 1.8842747213091395
Energy: 2.372808044427413
Energy: 1.4957881304537428
Energy: 1.4898405988296968
Energy: 1.4957881304537428
Energy: 2.372808044427413
Energy: 1.501890184325628
Energy: 1.7499177920098032
Energy: 1.7724276617313404
Energy: 1.5963800571045952
Energy: 1.7724276617313404
Energy: 1.7499177920098032
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Energy: 1.907472749940318
Energy: 1.7048925611059802
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Energy: 1.7290508045318365
Energy: 1.8779160528223109
Energy: 1.5026649464914215
Energy: 1.5862168156036662
Energy: 2.0234176172764946
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Energy: 1.5026649464914215
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Energy: 1.9170689057675974
Energy: 2.0323606910625003
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Energy: 1.6228311500128685
Energy: 1.5079447764131062
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Energy: 1.8769329161430899
Energy: 2.0548395065289027
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Energy: 1.505587714284338
Energy: 1.911135952355256
Energy: 1.5028023900566867
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Energy: 1.9173133135930678
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Energy: 1.5098736621086275
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Energy: 1.5045585110887507
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Energy: 1.7048978621658277
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Energy: 1.5045585110887507
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Energy: 1.699917010684368
Energy: 1.9015163708769152
Energy: 2.0097916756203085
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Energy: 1.4806737903672562
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Energy: 2.0097916756203085
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Energy: 2.019468006178273
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Energy: 2.019468006178273
Energy: 1.9150716012796245
Energy: 2.0169417619431638
Energy: 1.870118993244277
Energy: 1.645492459072356
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Energy: 2.0169417619431638
Energy: 1.870118993244277
Energy: 2.041929622592029
Energy: 1.904576012307725
Energy: 1.494914383178906
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Energy: 2.041929622592029
Energy: 1.904576012307725
Energy: 2.354743921973648
Energy: 1.8777858879582208
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Energy: 2.016911876491464
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Energy: 1.7002267133507016
Energy: 1.9023149853465064
Energy: 1.4766426627799962
Energy: 1.9023149853509373
Energy: 1.7002267133507016
Energy: 1.9023149853509373
Energy: 2.0100862758694524
Energy: 1.8996166863005126
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Energy: 2.0100862758694524
Energy: 1.8996166863005126
Energy: 1.684076957896064
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Energy: 1.6893570067458827
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Energy: 1.684076957896064
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Energy: 1.6856441549759251
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Energy: 1.5225565646704187
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Energy: 1.513825844564273
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Energy: 1.676706072859087
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Energy: 1.684449651608207
Energy: 1.8996643068045762
Energy: 1.6968234207307806
Energy: 1.8996643068045762
Energy: 1.684449651608207
Energy: 1.8996643068045762
Energy: 1.5047136376445704
Energy: 1.4766637248378691
Energy: 2.0138160106290073
Energy: 1.4766637248378691
Energy: 1.5047136376445704
Energy: 1.4766637248378691
Energy: 1.5056788171871072
Energy: 1.7745368031688153
Energy: 1.713093026680949
Energy: 1.7745368031688153
Energy: 1.5056788171915378
Energy: 1.7745368031688153
Energy: 1.4998102041949872
Energy: 1.4960165233596714
Energy: 2.005611252713465
Energy: 1.4960165233596714
Energy: 1.4998102041949872
Energy: 1.4960165233596714
Energy: 1.5118075894422525
Energy: 1.897240825384865
Energy: 2.016777821528211
Energy: 1.897240825384865
Energy: 1.5118075894422525
Energy: 1.897240825384865
Energy: 1.4947621768304868
Energy: 1.5332018938310394
Energy: 2.1923461060832823
Energy: 1.5332018938310394
Energy: 1.4947621768304868
Energy: 1.5332018938310394
Energy: 1.494483016310356
Energy: 1.9214477824411194
Energy: 2.0392232924391536
Energy: 1.9214477824411194
Energy: 1.494483016310356
Energy: 1.9214477824411194
Energy: 1.4994225565004993
Energy: 1.5358260343241803
Energy: 2.193772700511212
Energy: 1.5358260343241803
Energy: 1.4994225565004993
Energy: 1.5358260343241803
Energy: 1.5093509009777553
Energy: 1.8972189114862321
Energy: 2.016812906542845
Energy: 1.8972189114862321
Energy: 1.5093509009777553
Energy: 1.8972189114862321
Energy: 1.4940296276070144
Energy: 1.5131727308626999
Energy: 2.1926224450542837
Energy: 1.5131727308626999
Energy: 1.4940296276070144
Energy: 1.5131727308626999
Energy: 1.4857403465441568
Energy: 1.7748378822594693
Energy: 1.7130756578927262
Energy: 1.7748378822594693
Energy: 1.4857403465441568
Energy: 1.7748378822594693
Energy: 1.5170652223634227
Energy: 1.4765956149659039
Energy: 1.9082048760551076
Energy: 1.4765956149703343
Energy: 1.5170652223634227
Energy: 1.4765956149703343
Energy: 1.6890791820298758
Energy: 1.762551107249036
Energy: 1.6968311361392012
Energy: 1.762551107249036
Energy: 1.6890791820298758
Energy: 1.762551107249036

minimum gb energy = 1.4765956149659039 eV
minimum distance =  2.47455912367929 Angstroms
sigma value = 81


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

Energy: 2.118162804800189
Energy: 1.903160628123249
Energy: 1.60994664903353
Energy: 1.9031606281238571
Energy: 2.1181628048007974
Energy: 1.9031606281238571
Energy: 2.503625710122354
Energy: 1.6787968859196403
Energy: 1.6243326703293528
Energy: 1.678796885919032
Energy: 2.503625710122354
Energy: 1.6787968859196403
Energy: 2.0952222290212403
Energy: 1.7326125989812027
Energy: 1.7361052178018377
Energy: 1.7326125989812027
Energy: 2.0952222290212403
Energy: 1.7326125989812027
Energy: 2.0047196974855743
Energy: 1.6362126328733568
Energy: 1.6433977898411334
Energy: 1.6362126328733568
Energy: 2.0047196974855743
Energy: 1.6362126328733568
Energy: 1.777805432738202
Energy: 1.7797812653753649
Energy: 1.8282502869507447
Energy: 1.779781265375973
Energy: 1.777805432738202
Energy: 1.779781265375973
Energy: 2.1534560616620038
Energy: 1.7135852735435189
Energy: 1.7123565456607466
Energy: 1.713585273544127
Energy: 2.1534560616620038
Energy: 1.713585273544735
Energy: 1.7455703756273688
Energy: 1.7737643080155343
Energy: 1.9386716794626337
Energy: 1.7737643080155343
Energy: 1.7455703756273688
Energy: 1.7737643080155343
Energy: 1.6795547491146035
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Energy: 1.7462893071130716
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Energy: 1.6795547491146035
Energy: 1.7166292684519449
Energy: 1.6456233402100755
Energy: 1.8552590327046583
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Energy: 1.8552590327052665
Energy: 1.6456233402100755
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Energy: 1.7210908778667584
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Energy: 2.020472244605987
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Energy: 2.0949460053762015
Energy: 1.6399096724379847
Energy: 1.6262316100227585
Energy: 2.1533520505637354
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Energy: 1.6399096724379847
Energy: 1.6262316100227585
Energy: 1.621100675815259
Energy: 2.0880295991940017
Energy: 1.9462176805402
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Energy: 1.621100675815259
Energy: 2.0880295991940017
Energy: 1.6264605917707462
Energy: 1.724994282174741
Energy: 2.371311925722983
Energy: 1.7249942821753492
Energy: 1.626460591770138
Energy: 1.724994282174741
Energy: 1.6971205508932978
Energy: 2.0937946240689174
Energy: 2.02042596070227
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Energy: 1.6971205508932978
Energy: 2.0937946240689174
Energy: 1.6809425182644373
Energy: 1.7496386552692285
Energy: 2.007969717260561
Energy: 1.7496386552698364
Energy: 1.6809425182644373
Energy: 1.7496386552686203
Energy: 1.6950647483457224
Energy: 2.0872398658140816
Energy: 1.745450087895855
Energy: 2.087239865813473
Energy: 1.6950647483457224
Energy: 2.087239865813473
Energy: 1.6947988937562155
Energy: 1.7131082084457447
Energy: 1.8196724741657473
Energy: 1.7131082084457447
Energy: 1.6947988937562155
Energy: 1.713108208446353
Energy: 2.0066711124530547
Energy: 2.0652628557744177
Energy: 1.681361854371734
Energy: 2.0652628557744177
Energy: 2.0066711124530547
Energy: 2.0652628557744177
Energy: 2.00614328897816
Energy: 2.097665085971308
Energy: 1.6799762636281583
Energy: 2.097665085971916
Energy: 2.006143288978768
Energy: 2.097665085971916
Energy: 2.0203435260002838
Energy: 2.0877587726458913
Energy: 1.6434543751184476
Energy: 2.0877587726458913
Energy: 2.0203435260002838
Energy: 2.0877587726464992
Energy: 2.0201661572139002
Energy: 2.0968640496425213
Energy: 1.8403144418176332
Energy: 2.0968640496425213
Energy: 2.0201661572139002
Energy: 2.0968640496425213
Energy: 2.482478573049744
Energy: 1.9123370284012247
Energy: 1.6416548542755853
Energy: 1.9123370284012247
Energy: 2.482478573049744
Energy: 1.9123370284012247
Energy: 2.4823638544536024
Energy: 1.9153073616835445
Energy: 1.630801428763159
Energy: 1.9153073616835445
Energy: 2.4823638544536024
Energy: 1.9153073616835445
Energy: 2.020090727472185
Energy: 2.0975776074561643
Energy: 1.8432876311601663
Energy: 2.0975776074561643
Energy: 2.0200907274727933
Energy: 2.0975776074561643
Energy: 2.0201093375086834
Energy: 2.034721236404883
Energy: 1.6328558784826144
Energy: 2.0347212364054914
Energy: 2.0201093375086834
Energy: 2.034721236404883
Energy: 2.0061135149145186
Energy: 2.096339105464537
Energy: 1.679456581522927
Energy: 2.096339105464537
Energy: 2.006113514913911
Energy: 2.096339105464537
Energy: 2.006394219918541
Energy: 2.059371264607502
Energy: 1.712316612323812
Energy: 2.059371264607502
Energy: 2.006394219918541
Energy: 2.0593712646081097
Energy: 1.6957563763380723
Energy: 1.7159612628541256
Energy: 2.030169348271276
Energy: 1.7159612628541256
Energy: 1.6957563763380723
Energy: 1.7159612628535175
Energy: 1.6973853865559125
Energy: 2.0878040912102698
Energy: 1.7460487837707526
Energy: 2.0878040912102698
Energy: 1.6973853865559125
Energy: 2.0878040912102698
Energy: 1.6985999286275908
Energy: 1.7496386552698364
Energy: 2.007934770489605
Energy: 1.7496386552698364
Energy: 1.698599928626983
Energy: 1.7496386552704446
Energy: 1.697308722936031
Energy: 2.0718868578082343
Energy: 2.0194289247523467
Energy: 2.0718868578082343
Energy: 1.697308722936031
Energy: 2.0718868578082343
Energy: 1.6281398292638374
Energy: 1.6835303370106933
Energy: 2.4084087457776007
Energy: 1.6835303370106933
Energy: 1.6281398292638374
Energy: 1.6835303370106933
Energy: 1.6402470368072841
Energy: 2.087503185945928
Energy: 1.946277828051402
Energy: 2.087503185945928
Energy: 1.6402470368072841
Energy: 2.087503185945928
Energy: 1.619668415126682
Energy: 1.623759944735677
Energy: 2.2898526143030544
Energy: 1.623759944735677
Energy: 1.619668415126682
Energy: 1.6237599447362852
Energy: 1.7210908778673664
Energy: 2.0721606153158607
Energy: 2.0195404203507588
Energy: 2.0721606153158607
Energy: 1.7210908778673664
Energy: 2.0721606153158607
Energy: 1.6413072369848178
Energy: 1.7008914284858103
Energy: 2.274191622054006
Energy: 1.7008914284858103
Energy: 1.6413072369848178
Energy: 1.7008914284858103
Energy: 1.6803377677071647
Energy: 1.679504845678244
Energy: 1.7463670871403936
Energy: 1.6795048456776358
Energy: 1.6803377677071647
Energy: 1.6795048456776358
Energy: 1.745548123597603
Energy: 1.6090379283076144
Energy: 1.8394242232746039
Energy: 1.6090379283076144
Energy: 1.745548123597603
Energy: 1.6090379283082223

minimum gb energy = 1.6090379283076144 eV
minimum distance =  2.46590153681731 Angstroms
sigma value = 43


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

Energy: 2.132256181249976
Energy: 1.704623089241194
Energy: 2.4071213560315723
Energy: 1.704623089241194
Energy: 2.132256181249976
Energy: 1.704623089241941
Energy: 2.39153280274734
Energy: 1.8097218073954184
Energy: 1.7133740864881393
Energy: 1.8097218073954184
Energy: 2.39153280274734
Energy: 1.8097218073954184
Energy: 1.8190226040902173
Energy: 1.9051814646920444
Energy: 2.0230134734883265
Energy: 1.9051814646920444
Energy: 1.8190226040902173
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Energy: 2.102962914647929
Energy: 1.6994139887089026
Energy: 1.7147589846723685
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Energy: 2.102962914647929
Energy: 1.6994139887089026
Energy: 1.7616652448482357
Energy: 1.7136767853724961
Energy: 1.9212219235111399
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Energy: 1.7616652448482357
Energy: 1.7136767853724961
Energy: 1.697508136952032
Energy: 1.6970939197856583
Energy: 1.694983888991917
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Energy: 1.70695940095739
Energy: 1.9047098832535834
Energy: 1.90399777022489
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Energy: 1.70695940095739
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Energy: 1.773491429147648
Energy: 1.692941099151934
Energy: 1.7593994372993194
Energy: 1.6929410991511873
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Energy: 1.6929410991511873
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Energy: 2.3912301067698323
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Energy: 1.713554457185368
Energy: 1.7135228767022168
Energy: 1.7399343169845212
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Energy: 1.7399343169845212
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Energy: 1.707800315940459
Energy: 1.6968273372633595
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Energy: 1.7078003159397122
Energy: 1.6968273372633595
Energy: 1.6975150510946706
Energy: 1.6929337847327655
Energy: 1.7591533301603308
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Energy: 1.6975150510946706
Energy: 1.6929337847327655
Energy: 1.697081007214251
Energy: 1.7013238742333159
Energy: 2.08964998034928
Energy: 1.7013238742333159
Energy: 1.697081007214251
Energy: 1.7013238742333159
Energy: 1.6937058986431346
Energy: 2.2042432683954774
Energy: 1.6933011795457338
Energy: 2.2042432683954774
Energy: 1.6937058986431346
Energy: 2.2042432683954774
Energy: 1.693620565657904
Energy: 1.6971373611036855
Energy: 1.6974629291355954
Energy: 1.6971373611036855
Energy: 1.693620565657904
Energy: 1.6971373611036855
Energy: 2.047027451877842
Energy: 1.6931030570608896
Energy: 1.7141203661175557
Energy: 1.6931030570608896
Energy: 2.047027451877095
Energy: 1.6931030570608896
Energy: 2.047937541286176
Energy: 1.692898008019275
Energy: 2.0951522095637873
Energy: 1.692898008018528
Energy: 2.047937541286176
Energy: 1.692898008019275
Energy: 2.0726647747174796
Energy: 1.6931736933480759
Energy: 1.7209237614434245
Energy: 1.693173693347329
Energy: 2.0726647747174796
Energy: 1.6931736933480759
Energy: 2.0728848840212417
Energy: 1.6936113510135384
Energy: 1.7256733444740093
Energy: 1.6936113510135384
Energy: 2.0728848840212417
Energy: 1.6936113510135384
Energy: 2.0468183653678342
Energy: 1.6969949695370545
Energy: 1.7129843551994275
Energy: 1.6969949695370545
Energy: 2.0468183653678342
Energy: 1.6969949695370545
Energy: 2.0480209340540214
Energy: 2.248521153235916
Energy: 1.718710681073302
Energy: 2.248521153235916
Energy: 2.048020934054769
Energy: 2.2485211532351697
Energy: 1.6936355918856814
Energy: 1.696825955102735
Energy: 1.6979454387528734
Energy: 1.696825955102735
Energy: 1.6936355918849344
Energy: 1.696825955102735
Energy: 1.6932391563877458
Energy: 2.2021039848993653
Energy: 1.6933881999514442
Energy: 2.2021039848993653
Energy: 1.6932391563877458
Energy: 2.2021039848993653
Energy: 1.697148060821203
Energy: 1.6979104028986987
Energy: 1.6931573585151003
Energy: 1.6979104028986987
Energy: 1.697148060821203
Energy: 1.6979104028986987
Energy: 1.697823643497752
Energy: 2.248464522385047
Energy: 1.7577670004798513
Energy: 2.2484645223843005
Energy: 1.697823643497752
Energy: 2.248464522385047
Energy: 1.7086456305741007
Energy: 1.6968220427964495
Energy: 2.0511568220705927
Energy: 1.6968220427964495
Energy: 1.7086456305741007
Energy: 1.6968220427964495
Energy: 1.7143913016295302
Energy: 2.2031849744156577
Energy: 2.0726725652844076
Energy: 2.2031849744156577
Energy: 1.7143913016295302
Energy: 2.2031849744156577
Energy: 1.7176021642865282
Energy: 1.6935830238129899
Energy: 2.0777291403079072
Energy: 1.6935830238129899
Energy: 1.7176021642865282
Energy: 1.6935830238129899
Energy: 1.773352136015294
Energy: 1.6929926205827517
Energy: 1.7581846235584837
Energy: 1.6929926205827517
Energy: 1.773352136015294
Energy: 1.6929926205827517
Energy: 1.7107389492324228
Energy: 1.6929775791672839
Energy: 2.051345614351477
Energy: 1.6929775791672839
Energy: 1.7107389492324228
Energy: 1.6929775791672839
Energy: 1.88169134358226
Energy: 1.6969050497983456
Energy: 1.6944271516364253
Energy: 1.6969050497983456
Energy: 1.8816913435830067
Energy: 1.6969050497983456

minimum gb energy = 1.692898008018528 eV
minimum distance =  2.47220021631622 Angstroms
sigma value = 57


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

Energy: 1.9649884370338218
Energy: 1.8247458347850745
Energy: 1.9107974695891392
Energy: 1.824745834784107
Energy: 1.964988437034745
Energy: 1.824745834784107
Energy: 2.099086901216937
Energy: 1.9134962812249723
Energy: 1.835699933273005
Energy: 1.9134962812249723
Energy: 2.099086901216937
Energy: 1.9134962812249723
Energy: 1.8737935818289302
Energy: 1.8231713317803486
Energy: 2.1686294500525
Energy: 1.8231713317803486
Energy: 1.8737935818298976
Energy: 1.8231713317803486
Energy: 1.8331017344924043
Energy: 1.8128000180013568
Energy: 1.8337550284492596
Energy: 1.8128000180013568
Energy: 1.8331017344924043
Energy: 1.8128000180013568
Energy: 1.8266634704268985
Energy: 1.8855644596815746
Energy: 2.011481611451136
Energy: 1.8855644596815746
Energy: 1.8266634704268985
Energy: 1.8855644596825414
Energy: 2.212424456574646
Energy: 2.33589396197561
Energy: 1.8159143756438159
Energy: 2.33589396197561
Energy: 2.212424456574646
Energy: 2.335893961974643
Energy: 1.8228344990031125
Energy: 1.8261000201196256
Energy: 2.1027889826559205
Energy: 1.8261000201196256
Energy: 1.8228344990031125
Energy: 1.8261000201196256
Energy: 1.8461793356411087
Energy: 1.814258123245235
Energy: 1.9151181763145018
Energy: 1.814258123245235
Energy: 1.8461793356411087
Energy: 1.814258123245235
Energy: 1.8237990404013935
Energy: 1.91489742767378
Energy: 2.236187479903973
Energy: 1.91489742767378
Energy: 1.8237990404013935
Energy: 1.91489742767378
Energy: 1.8127522653289065
Energy: 2.3504666367177607
Energy: 1.8153466001851175
Energy: 2.3504666367177607
Energy: 1.8127522653289065
Energy: 2.3504666367177607
Energy: 1.811606600620998
Energy: 1.8166130931831317
Energy: 1.8117732740064338
Energy: 1.8166130931831317
Energy: 1.811606600620998
Energy: 1.8166130931831317
Energy: 1.8149298015025435
Energy: 1.8165866314888626
Energy: 1.8334826672489115
Energy: 1.8165866314888626
Energy: 1.8149298015025435
Energy: 1.8165866314888626
Energy: 1.8149543714778058
Energy: 2.3646644198868225
Energy: 1.9108004546845447
Energy: 2.3646644198868225
Energy: 1.8149543714778058
Energy: 2.3646644198868225
Energy: 2.307236195084671
Energy: 2.35101377207982
Energy: 1.8338434902353846
Energy: 2.35101377207982
Energy: 2.307236195084671
Energy: 2.35101377207982
Energy: 2.307704922698406
Energy: 2.3583042365251456
Energy: 1.8508755897081697
Energy: 2.3583042365251456
Energy: 2.307704922699373
Energy: 2.3583042365251456
Energy: 1.8148659098304585
Energy: 2.3692704299969054
Energy: 1.8271845784148903
Energy: 2.3692704299969054
Energy: 1.8148659098304585
Energy: 2.3692704299959386
Energy: 1.8147285278903351
Energy: 2.3582186796888625
Energy: 1.811664038180529
Energy: 2.3582186796888625
Energy: 1.8147285278903351
Energy: 2.3582186796888625
Energy: 1.8118556977726745
Energy: 2.409300767643262
Energy: 1.811855990189117
Energy: 2.409300767643262
Energy: 1.8118556977726745
Energy: 2.409300767643262
Energy: 1.811642840086493
Energy: 2.3581832295702174
Energy: 1.8150126817888066
Energy: 2.3581832295702174
Energy: 1.811642840086493
Energy: 2.3581832295702174
Energy: 1.8289211411271364
Energy: 2.3692486634712964
Energy: 1.8148547526396177
Energy: 2.3692486634712964
Energy: 1.8289211411271364
Energy: 2.3692486634712964
Energy: 1.8508634694302217
Energy: 2.358357869187855
Energy: 2.3077202947738815
Energy: 2.358357869187855
Energy: 1.8508634694302217
Energy: 2.358357869187855
Energy: 1.8338597119117261
Energy: 2.3352855631892777
Energy: 2.307226666082602
Energy: 2.3352855631892777
Energy: 1.8338597119117261
Energy: 2.3352855631892777
Energy: 1.9125244848160754
Energy: 2.364653859994992
Energy: 1.8149292483916437
Energy: 2.364653859994992
Energy: 1.9125244848160754
Energy: 2.364653859995959
Energy: 1.8335080443160656
Energy: 1.8170184116271857
Energy: 1.8149600854195305
Energy: 1.8170184116271857
Energy: 1.8335080443160656
Energy: 1.8170184116271857

minimum gb energy = 1.811606600620998 eV
minimum distance =  2.50159653433829 Angstroms
sigma value = 17


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

Energy: 2.0056798255829844
Energy: 2.0057283208328345
Energy: 2.1849279123549747
Energy: 2.0057283208328345
Energy: 2.0056798255829844
Energy: 2.0057283208328345
Energy: 2.012813092864438
Energy: 1.974195033883067
Energy: 1.978656250173701
Energy: 1.974195033883067
Energy: 2.012813092864438
Energy: 1.9741950338816991
Energy: 2.001229620313279
Energy: 2.003288267568468
Energy: 1.9924519943961647
Energy: 2.003288267568468
Energy: 2.001229620313279
Energy: 2.003288267568468
Energy: 1.9955738578590771
Energy: 1.964243116441521
Energy: 1.9944018372349492
Energy: 1.964243116441521
Energy: 1.9955738578590771
Energy: 1.964243116441521
Energy: 1.9760808943075285
Energy: 1.973445211523439
Energy: 2.306172992225193
Energy: 1.973445211523439
Energy: 1.9760808943075285
Energy: 1.973445211523439
Energy: 1.9838028867021282
Energy: 2.0017081023090135
Energy: 2.0034557939727486
Energy: 2.0017081023090135
Energy: 1.9838028867021282
Energy: 2.0017081023090135
Energy: 1.982592967583017
Energy: 2.1629028763228733
Energy: 2.01666856682904
Energy: 2.162902876324241
Energy: 1.982592967583017
Energy: 2.162902876324241
Energy: 1.9621416104492295
Energy: 2.303644437132031
Energy: 1.9949491724626407
Energy: 2.303644437132031
Energy: 1.9621416104492295
Energy: 2.303644437132031
Energy: 1.976671927943009
Energy: 1.9631974044340683
Energy: 2.1386266650617203
Energy: 1.9631974044340683
Energy: 1.976671927943009
Energy: 1.9631974044340683
Energy: 1.9845257514049084
Energy: 1.9572236231912048
Energy: 1.9779898466967254
Energy: 1.9572236231912048
Energy: 1.9845257514049084
Energy: 1.9572236231912048
Energy: 1.9934387017810447
Energy: 2.4942344621183286
Energy: 1.980770565794575
Energy: 2.4942344621196963
Energy: 1.9934387017810447
Energy: 2.4942344621183286
Energy: 1.9615934321905988
Energy: 2.276845053841853
Energy: 1.9818170134238677
Energy: 2.276845053841853
Energy: 1.9615934321905988
Energy: 2.276845053841853
Energy: 1.9615743890672597
Energy: 2.3033327731111277
Energy: 1.9630890192932084
Energy: 2.3033327731111277
Energy: 1.9615743890672597
Energy: 2.3033327731111277
Energy: 1.9803260037393513
Energy: 1.9636145781481917
Energy: 1.9634145238292715
Energy: 1.9636145781495593
Energy: 1.9803260037393513
Energy: 1.9636145781495593
Energy: 1.982503128983656
Energy: 2.4961929764788677
Energy: 1.9862972463938489
Energy: 2.4961929764788677
Energy: 1.982503128983656
Energy: 2.4961929764788677
Energy: 1.982165071047139
Energy: 2.4941320771465905
Energy: 1.9848951903114918
Energy: 2.4941320771465905
Energy: 1.982165071047139
Energy: 2.4941320771465905
Energy: 1.9810814051374297
Energy: 2.2777242797389055
Energy: 1.9629072939387713
Energy: 2.2777242797389055
Energy: 1.981081405136062
Energy: 2.2777242797389055

minimum gb energy = 1.9572236231912048 eV
minimum distance =  2.45727811017509 Angstroms
sigma value = 17


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

Energy: 2.4329297271700665
Energy: 2.559370423908042
Energy: 2.597227064268611
Energy: 2.559370423908042
Energy: 2.4329297271700665
Energy: 2.559370423907514
Energy: 2.290404799399903
Energy: 2.0757046651002886
Energy: 2.052680343529528
Energy: 2.075704665100816
Energy: 2.290404799399903
Energy: 2.075704665100816
Energy: 2.0602937203062752
Energy: 2.1412645655806744
Energy: 2.285330002697585
Energy: 2.1412645655806744
Energy: 2.0602937203062752
Energy: 2.1412645655806744
Energy: 2.098542194484213
Energy: 2.053011732975408
Energy: 2.1402364054449854
Energy: 2.053011732975408
Energy: 2.098542194484213
Energy: 2.053011732975408
Energy: 2.059764045227658
Energy: 2.1211637408660127
Energy: 2.302541494680573
Energy: 2.1211637408660127
Energy: 2.059764045227658
Energy: 2.1211637408660127
Energy: 2.1213206319114173
Energy: 2.058511519938069
Energy: 2.167605157012493
Energy: 2.058511519938069
Energy: 2.1213206319114173
Energy: 2.058511519938069
Energy: 2.0526530966546073
Energy: 2.1279707639190795
Energy: 2.282976393654025
Energy: 2.1279707639185514
Energy: 2.0526530966546073
Energy: 2.1279707639185514
Energy: 2.3762089267699227
Energy: 2.057378688916915
Energy: 2.0552753034597093
Energy: 2.057378688916915
Energy: 2.3762089267693947
Energy: 2.057378688916915
Energy: 2.1424833784597186
Energy: 2.0588024495988098
Energy: 2.073650897244224
Energy: 2.0588024495988098
Energy: 2.1424833784591906
Energy: 2.0588024495988098
Energy: 2.3809524293207067
Energy: 2.110475887127271
Energy: 2.056439498283062
Energy: 2.114125413717869
Energy: 2.3809524293207067
Energy: 2.1104758871277984
Energy: 2.1119209886976376
Energy: 2.3249287699992998
Energy: 2.104902779250227
Energy: 2.3249287699992998
Energy: 2.1119209886976376
Energy: 2.3249287699992998
Energy: 2.069420765971762
Energy: 2.0715415307895677
Energy: 2.0576924336223037
Energy: 2.0715415307895677
Energy: 2.069420765971234
Energy: 2.0715415307895677
Energy: 2.053357915817808
Energy: 2.0554961827040827
Energy: 2.3941319029072505
Energy: 2.0554961827040827
Energy: 2.053357915817808
Energy: 2.0554961827040827
Energy: 2.072124364933348
Energy: 2.5436372491235186
Energy: 2.3962197727412
Energy: 2.5436372491235186
Energy: 2.072124364933348
Energy: 2.5436372491235186
Energy: 2.073250274917656
Energy: 2.363763813162254
Energy: 2.1120054504429686
Energy: 2.363763813162254
Energy: 2.0732502749181836
Energy: 2.363763813162254
Energy: 2.1141869487604312
Energy: 2.33189867050292
Energy: 2.0576830646644284
Energy: 2.344917946760381
Energy: 2.1141869487604312
Energy: 2.3318986704955256
Energy: 2.1117280542796966
Energy: 2.347933599700146
Energy: 2.063566820070875
Energy: 2.347933599700146
Energy: 2.111728054279168
Energy: 2.347933599700146
Energy: 2.3782595533327227
Energy: 2.5933529730396456
Energy: 2.0806864278855715
Energy: 2.5933529730396456
Energy: 2.3782595533327227
Energy: 2.5933529730396456
Energy: 2.3756142375710394
Energy: 2.3252944167370546
Energy: 2.055696518131212
Energy: 2.3252944167370546
Energy: 2.375614237571567
Energy: 2.325294416737583
Energy: 2.0518799529366105
Energy: 2.5548567046678285
Energy: 2.06206869172894
Energy: 2.589058551915278
Energy: 2.0518799529366105
Energy: 2.5548567046678285
Energy: 2.055727731488024
Energy: 2.3321086831361697
Energy: 2.2518237850328413
Energy: 2.3321086831356417
Energy: 2.055727731488024
Energy: 2.3321086831361697
Energy: 2.080682413502468
Energy: 2.5932861043901823
Energy: 2.3781934893778107
Energy: 2.5932861043901823
Energy: 2.080682413502468
Energy: 2.5932861043901823
Energy: 2.0838139750749805
Energy: 2.348025950163497
Energy: 2.111732965409451
Energy: 2.348025950163497
Energy: 2.0838139750744524
Energy: 2.348025950163497
Energy: 2.057756569436079
Energy: 2.3164311532843422
Energy: 2.114204122850137
Energy: 2.3164311532843422
Energy: 2.057756569436079
Energy: 2.3164311532843422
Energy: 2.1113436788100923
Energy: 2.363464579022938
Energy: 2.0637269630481483
Energy: 2.363464579022938
Energy: 2.1113436788100923
Energy: 2.363464579023466
Energy: 2.3967573359272034
Energy: 2.543584521965087
Energy: 2.0721319272032708
Energy: 2.543584521965616
Energy: 2.396757335926675
Energy: 2.543584521965087
Energy: 2.3940309875285526
Energy: 2.055359639893934
Energy: 2.053379661058954
Energy: 2.055359639894462
Energy: 2.3940309875285526
Energy: 2.055359639894462
Energy: 2.0576526914705093
Energy: 2.0715368887331804
Energy: 2.069373470591587
Energy: 2.0715368887331804
Energy: 2.0576526914705093
Energy: 2.0715368887331804
Energy: 2.111772852255542
Energy: 2.324799109289554
Energy: 2.1120944726007815
Energy: 2.324799109290082
Energy: 2.111772852255542
Energy: 2.324799109289554
Energy: 2.0564589847266013
Energy: 2.1104758871262144
Energy: 2.381204636813857
Energy: 2.1104758871262144
Energy: 2.0564589847266013
Energy: 2.1104758871262144
Energy: 2.073652065390202
Energy: 2.0586989332961214
Energy: 2.1424208295274814
Energy: 2.0586989332971775
Energy: 2.073652065390202
Energy: 2.0586989332971775
Energy: 2.055284674511832
Energy: 2.0574580754812195
Energy: 2.376201789516669
Energy: 2.0574580754812195
Energy: 2.055284674511832
Energy: 2.0574580754812195
Energy: 2.2828019149170413
Energy: 2.1283762453321726
Energy: 2.0526631323808933
Energy: 2.1283762453321726
Energy: 2.2828019149170413
Energy: 2.1283762453321726
Energy: 2.1675100330700383
Energy: 2.058824612267823
Energy: 2.121360065779148
Energy: 2.058824612267823
Energy: 2.1675100330700383
Energy: 2.0588246122672946
Energy: 2.302511626024317
Energy: 2.121163740867069
Energy: 2.0597715392584806
Energy: 2.121163740867069
Energy: 2.302511626024317
Energy: 2.121163740867069
Energy: 2.1402606400078414
Energy: 2.052974359507263
Energy: 2.09849165356707
Energy: 2.052974359507263
Energy: 2.1402606400078414
Energy: 2.052974359507263
Energy: 2.2851850615670624
Energy: 2.1419933601608006
Energy: 2.060516313323557
Energy: 2.1419933601608006
Energy: 2.2851850615681184
Energy: 2.1419933601608006
Energy: 2.0527159454143127
Energy: 2.075811828971797
Energy: 2.2904104264572793
Energy: 2.075811828971797
Energy: 2.0527159454143127
Energy: 2.0758118289723244
Energy: 2.151421423939967
Energy: 2.559370423907514
Energy: 2.4329297271700665
Energy: 2.559370423907514
Energy: 2.1514214255912907
Energy: 2.559370423907514
Energy: 2.052680343529528
Energy: 2.075704665100816
Energy: 2.290404799399903
Energy: 2.075704665100816
Energy: 2.052680343529528
Energy: 2.075704665100816
Energy: 2.285330002697585
Energy: 2.1412645655806744
Energy: 2.0602937203062752
Energy: 2.1412645655806744
Energy: 2.285330002697585
Energy: 2.1412645655806744
Energy: 2.1402364054449854
Energy: 2.0530117329764646
Energy: 2.0985421944847413
Energy: 2.053011732975408
Energy: 2.1402364054449854
Energy: 2.053011732975408
Energy: 2.302541494680045
Energy: 2.1211637408660127
Energy: 2.059764045226602
Energy: 2.1211637408660127
Energy: 2.302541494680573
Energy: 2.1211637408660127

minimum gb energy = 2.0518799529366105 eV
minimum distance =  2.41757033307667 Angstroms
sigma value = 57


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

Energy: 2.2028428201054595
Energy: 2.059846069990534
Energy: 2.876143043980207
Energy: 2.0598460699913943
Energy: 2.2028428201063197
Energy: 2.0598460699913943
Energy: 2.175832561511281
Energy: 2.07706484669546
Energy: 2.076631010971186
Energy: 2.0770648466946
Energy: 2.175832561511281
Energy: 2.07706484669546
Energy: 2.0595511491525715
Energy: 2.1909771829651374
Energy: 2.0783353457445073
Energy: 2.1909771829651374
Energy: 2.0595511491525715
Energy: 2.1909771829651374
Energy: 2.190416305175801
Energy: 2.160141838399925
Energy: 2.1696355194067234
Energy: 2.160141838399925
Energy: 2.1904163051766603
Energy: 2.160141838399925
Energy: 2.0591294568545533
Energy: 2.149707924663877
Energy: 2.1943612776304287
Energy: 2.149707924663877
Energy: 2.0591294568545533
Energy: 2.149707924663877
Energy: 2.1549155533549555
Energy: 2.1608414161071265
Energy: 2.1697138284681854
Energy: 2.1608414161062672
Energy: 2.1549155533549555
Energy: 2.1608414161062672
Energy: 2.0593462233867554
Energy: 2.163048826780277
Energy: 2.076874452925962
Energy: 2.1630488267811367
Energy: 2.0593462233867554
Energy: 2.1630488267811367
Energy: 2.6337416238462645
Energy: 2.109101535057644
Energy: 2.0765267107221352
Energy: 2.109101535057644
Energy: 2.6337416238462645
Energy: 2.109101535057644
Energy: 2.19198505524637
Energy: 2.4959468547359043
Energy: 2.0783974265510623
Energy: 2.4959468547359043
Energy: 2.19198505524637
Energy: 2.4959468547359043
Energy: 2.394956464774245
Energy: 2.0771181132410605
Energy: 2.077374830263066
Energy: 2.0771181132410605
Energy: 2.394956464774245
Energy: 2.0771181132410605
Energy: 2.059520157016594
Energy: 2.290790438251553
Energy: 2.1414852766626207
Energy: 2.290790438251553
Energy: 2.059520157016594
Energy: 2.290790438251553
Energy: 2.1469796094032487
Energy: 2.1442420161514057
Energy: 2.1475741639457175
Energy: 2.1442420161522664
Energy: 2.146979609404109
Energy: 2.1442420161514057
Energy: 2.06528608217796
Energy: 2.377050214113105
Energy: 2.1412636454673395
Energy: 2.377050214113105
Energy: 2.06528608217796
Energy: 2.377050214113105
Energy: 2.1633117327209352
Energy: 2.3277848714229847
Energy: 2.147786707088689
Energy: 2.3277848714229847
Energy: 2.1633117327209352
Energy: 2.3277848714229847
Energy: 2.0650378008176897
Energy: 2.156878607258606
Energy: 2.077804901256776
Energy: 2.156878607258606
Energy: 2.0650378008176897
Energy: 2.156878607258606
Energy: 2.6396148290358816
Energy: 2.341191807760351
Energy: 2.077392059588004
Energy: 2.3411918077594907
Energy: 2.639614829035022
Energy: 2.3411918077594907
Energy: 2.177148400267797
Energy: 2.495897517597887
Energy: 2.078261729232181
Energy: 2.4958975175970273
Energy: 2.177148400267797
Energy: 2.4958975175970273
Energy: 2.163568415483167
Energy: 2.383750500767011
Energy: 2.0884716645337122
Energy: 2.383750500767011
Energy: 2.163568415483167
Energy: 2.383750500767011
Energy: 2.0647344808995522
Energy: 2.2912238899114694
Energy: 2.1435126491256806
Energy: 2.2912238899106097
Energy: 2.0647344809004116
Energy: 2.2912238899114694
Energy: 2.17225484236817
Energy: 2.494992163104033
Energy: 2.140861060378616
Energy: 2.494992163104033
Energy: 2.17225484236817
Energy: 2.494992163104033
Energy: 2.0686421419844025
Energy: 2.502156587389433
Energy: 2.1436886474980494
Energy: 2.5021565873902936
Energy: 2.068642141983543
Energy: 2.5021565873902936
Energy: 2.0717734251362514
Energy: 2.485405962268063
Energy: 2.140692403278937
Energy: 2.4854059622689233
Energy: 2.0717734251362514
Energy: 2.4854059622689233
Energy: 2.0605849596660777
Energy: 2.385358837589347
Energy: 2.0782819884010317
Energy: 2.385358837589347
Energy: 2.0605849596669374
Energy: 2.385358837589347
Energy: 2.1763468768306455
Energy: 2.485702112383586
Energy: 2.0883100616290653
Energy: 2.485702112383586
Energy: 2.1763468768297862
Energy: 2.485702112383586
Energy: 2.1791894982400897
Energy: 2.3738634901765807
Energy: 2.081208072875124
Energy: 2.3738634901765807
Energy: 2.1791894982400897
Energy: 2.3738634901774405
Energy: 2.07159500838577
Energy: 2.1564012406317685
Energy: 2.077970156806133
Energy: 2.1564012406309083
Energy: 2.07159500838577
Energy: 2.1564012406317685
Energy: 2.0605056710100316
Energy: 2.4857651967220535
Energy: 2.142054018402119
Energy: 2.4857651967220535
Energy: 2.0605056710100316
Energy: 2.4857651967211933

minimum gb energy = 2.0591294568545533 eV
minimum distance =  2.44373163168269 Angstroms
sigma value = 43


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

Energy: 2.271032714222252
Energy: 2.1213867712918604
Energy: 2.4114039538711594
Energy: 2.121386771292487
Energy: 2.271032714222252
Energy: 2.1213867712918604
Energy: 2.1974858750989514
Energy: 2.1389935284160773
Energy: 2.1035887740040766
Energy: 2.1389935284160773
Energy: 2.197485875098325
Energy: 2.1389935284160773
Energy: 2.108084313428044
Energy: 2.24951377058776
Energy: 2.4588929658987646
Energy: 2.24951377058776
Energy: 2.108084313428044
Energy: 2.24951377058776
Energy: 2.170907172541546
Energy: 2.1089198219157494
Energy: 2.2239909856203766
Energy: 2.1089198219151224
Energy: 2.1709071725421727
Energy: 2.108919821914496
Energy: 2.1119459416637456
Energy: 2.202306895085004
Energy: 2.2315601319533696
Energy: 2.202306895085004
Energy: 2.1119459416637456
Energy: 2.202306895084377
Energy: 2.188582093905239
Energy: 2.2139491549885766
Energy: 2.117124254590668
Energy: 2.2139491549892027
Energy: 2.188582093905239
Energy: 2.2139491549885766
Energy: 2.1166862357022094
Energy: 2.1895463346949744
Energy: 2.139642598642689
Energy: 2.189546334695601
Energy: 2.1166862357028355
Energy: 2.189546334695601
Energy: 2.251524087372992
Energy: 2.2103122639344264
Energy: 2.117044374299156
Energy: 2.210312263935053
Energy: 2.251524087372992
Energy: 2.2103122639344264
Energy: 2.2194207425894983
Energy: 2.1095010554243836
Energy: 2.2143886987233374
Energy: 2.10950105542501
Energy: 2.2194207425894983
Energy: 2.1095010554243836
Energy: 2.302747728772365
Energy: 2.2154218369347416
Energy: 2.1065537078485908
Energy: 2.2154218369347416
Energy: 2.302747728772365
Energy: 2.2154218369347416
Energy: 2.1027098728731626
Energy: 2.168376107756503
Energy: 2.554814274705424
Energy: 2.168376107756503
Energy: 2.1027098728731626
Energy: 2.168376107756503
Energy: 2.133780259937172
Energy: 2.118988013911396
Energy: 2.251710690341628
Energy: 2.118988013911396
Energy: 2.133780259937172
Energy: 2.118988013911396
Energy: 2.104417173352655
Energy: 2.136659849282893
Energy: 2.213512436785787
Energy: 2.136659849282893
Energy: 2.104417173352655
Energy: 2.136659849282893
Energy: 2.201748072115981
Energy: 2.113691969066719
Energy: 2.106769333705032
Energy: 2.1136919690660925
Energy: 2.201748072115981
Energy: 2.1136919690660925
Energy: 2.2055377605725828
Energy: 2.1093497916027513
Energy: 2.131220368514933
Energy: 2.109349791603378
Energy: 2.2055377605725828
Energy: 2.109349791603378
Energy: 2.188406059921827
Energy: 2.3987744064584358
Energy: 2.117413448665034
Energy: 2.3987744064584358
Energy: 2.188406059921827
Energy: 2.3987744064584358
Energy: 2.1182253229222647
Energy: 2.1241285491383177
Energy: 2.1884645207006415
Energy: 2.124128549137691
Energy: 2.1182253229222647
Energy: 2.1241285491383177
Energy: 2.14479881324798
Energy: 2.193015122050223
Energy: 2.1215293708188154
Energy: 2.193015122050223
Energy: 2.14479881324798
Energy: 2.193015122050223
Energy: 2.1339988331373663
Energy: 2.3586775008494407
Energy: 2.202298522359919
Energy: 2.3586775008494407
Energy: 2.1339988331373663
Energy: 2.3586775008494407
Energy: 2.1065091918110923
Energy: 2.3560533785470272
Energy: 2.202580703182722
Energy: 2.356053378547654
Energy: 2.106509191810466
Energy: 2.356053378547654
Energy: 2.1119150181437574
Energy: 2.2186309276264247
Energy: 2.1339736872196666
Energy: 2.2186309276270513
Energy: 2.111915018144384
Energy: 2.2186309276264247
Energy: 2.5550233957977437
Energy: 2.108153022459851
Energy: 2.107046565017635
Energy: 2.108153022460477
Energy: 2.5550233957977437
Energy: 2.108153022460477
Energy: 2.5542317640803733
Energy: 2.4945458281517965
Energy: 2.134093523948173
Energy: 2.4945458281517965
Energy: 2.5542317640803733
Energy: 2.4945458281517965
Energy: 2.1066880089389133
Energy: 2.139105488534714
Energy: 2.134218332991782
Energy: 2.139105488534714
Energy: 2.106688008938287
Energy: 2.139105488534714
Energy: 2.1078201811812
Energy: 2.3555892589243452
Energy: 2.206921217558413
Energy: 2.3555892589243452
Energy: 2.1078201811812
Energy: 2.3555892589243452
Energy: 2.131136701869148
Energy: 2.1105912294698532
Energy: 2.2028486309885635
Energy: 2.1105912294692266
Energy: 2.131136701869148
Energy: 2.1105912294698532
Energy: 2.1451565382985947
Energy: 2.426537916418618
Energy: 2.1936227969181212
Energy: 2.426537916418618
Energy: 2.145156538297968
Energy: 2.426537916418618
Energy: 2.1894479812654524
Energy: 2.493380014235995
Energy: 2.1894366333073236
Energy: 2.493380014235995
Energy: 2.1894479812654524
Energy: 2.4933800142353686
Energy: 2.1934397342900853
Energy: 2.42092696147725
Energy: 2.1244943758486428
Energy: 2.4209269614778766
Energy: 2.1934397342900853
Energy: 2.4209269614778766
Energy: 2.20284172601086
Energy: 2.1097998266032825
Energy: 2.131116560335473
Energy: 2.109799826602656
Energy: 2.20284172601086
Energy: 2.109799826602656
Energy: 2.206353320327138
Energy: 2.355542598986533
Energy: 2.107782268308473
Energy: 2.355542598986533
Energy: 2.2063533203277648
Energy: 2.355542598986533
Energy: 2.1339572617230265
Energy: 2.138952230685803
Energy: 2.1066227304100593
Energy: 2.1389522306883095
Energy: 2.1339572617230265
Energy: 2.138952230685803
Energy: 2.134100808552874
Energy: 2.494502685643565
Energy: 2.3926931234580353
Energy: 2.494502685643565
Energy: 2.1341008085522475
Energy: 2.494502685643565
Energy: 2.107048971841192
Energy: 2.1079020502706953
Energy: 2.5549906115940386
Energy: 2.1079020502713215
Energy: 2.107048971841192
Energy: 2.1079020502713215
Energy: 2.1339312220748874
Energy: 2.218681272751755
Energy: 2.111857651865447
Energy: 2.218681272751755
Energy: 2.1339312220748874
Energy: 2.218681272751755
Energy: 2.2026341719860807
Energy: 2.356267266973254
Energy: 2.1065131421601646
Energy: 2.3562672669726274
Energy: 2.2026341719860807
Energy: 2.3562672669726274

minimum gb energy = 2.1027098728731626 eV
minimum distance =  2.48822324063738 Angstroms
sigma value = 81


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

Energy: 2.1059269552673956
Energy: 2.096612926341251
Energy: 2.382529588010824
Energy: 2.096612926341251
Energy: 2.1059269552673956
Energy: 2.096612926341251
Energy: 2.4329339295039216
Energy: 2.096919903194999
Energy: 2.1058991978717243
Energy: 2.096919903194999
Energy: 2.4329339295039216
Energy: 2.096919903194999
Energy: 2.105932893163516
Energy: 2.096921995155116
Energy: 2.4328762986031722
Energy: 2.096921995155116
Energy: 2.1059328931658188
Energy: 2.096921995155116
Energy: 2.28094830169725
Energy: 2.096612926341251
Energy: 2.1059269552673956
Energy: 2.096612926341251
Energy: 2.280948301655838
Energy: 2.096612926341251
Energy: 2.1058991978717243
Energy: 2.096919903194999
Energy: 2.4329339295039216
Energy: 2.096919903194999
Energy: 2.1058991978717243
Energy: 2.096919903194999
Energy: 2.4328762986054744
Energy: 2.096921995155116
Energy: 2.1059328931658188
Energy: 2.096921995155116
Energy: 2.4328762986054744
Energy: 2.096921995155116
Energy: 2.1059269552673956
Energy: 2.096612926341251
Energy: 2.280948301575289
Energy: 2.096612926341251
Energy: 2.1059269552673956
Energy: 2.096612926341251
Energy: 2.432933929501619
Energy: 2.096919903194999
Energy: 2.1058991978717243
Energy: 2.096919903194999
Energy: 2.432933929501619
Energy: 2.096919903194999
Energy: 2.105932893163516
Energy: 2.096921995155116
Energy: 2.4328762986077765
Energy: 2.096921995155116
Energy: 2.105932893163516
Energy: 2.096921995155116
Energy: 2.280948301497068
Energy: 2.096612926341251
Energy: 2.1059269552673956
Energy: 2.096612926341251
Energy: 2.280948301492464
Energy: 2.096612926341251

minimum gb energy = 2.096612926341251 eV
minimum distance =  2.51028756367728 Angstroms
sigma value = 3


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

Energy: 2.5157125199762036
Energy: 2.5119879730681416
Energy: 2.4027554557023847
Energy: 2.5119879730674533
Energy: 2.5157125199762036
Energy: 2.5119879730674533
Energy: 2.5791389788230186
Energy: 2.2444439172327373
Energy: 2.1237975520809567
Energy: 2.2444439172327373
Energy: 2.5791389788223293
Energy: 2.2444439172327373
Energy: 2.1685823300990976
Energy: 2.1646288237887745
Energy: 2.363988355278467
Energy: 2.1646288237887745
Energy: 2.168582330098409
Energy: 2.1646288237887745
Energy: 2.5678828822761823
Energy: 2.501100702894028
Energy: 2.2221915871482456
Energy: 2.5011007028947163
Energy: 2.5678828822761823
Energy: 2.501100702894028
Energy: 2.2069882675718286
Energy: 2.209194124761333
Energy: 2.301795095831984
Energy: 2.209194124760644
Energy: 2.2069882675718286
Energy: 2.209194124760644
Energy: 2.317188868894924
Energy: 2.253326721584822
Energy: 2.1408704431820493
Energy: 2.253326721584822
Energy: 2.317188868894924
Energy: 2.253326721584822
Energy: 2.207134411652266
Energy: 2.209372640275696
Energy: 2.394526810061746
Energy: 2.209372640275696
Energy: 2.207134411652266
Energy: 2.209372640275696
Energy: 2.185042329634963
Energy: 2.4985654271499205
Energy: 2.2104875924409035
Energy: 2.4985654271499205
Energy: 2.1850423296342742
Energy: 2.4985654271499205
Energy: 2.170543176322426
Energy: 2.161784646801127
Energy: 2.454171853588333
Energy: 2.161784646801127
Energy: 2.170543176322426
Energy: 2.161784646801127
Energy: 2.170574239488733
Energy: 2.244811783316081
Energy: 2.1241526129182566
Energy: 2.2448117833153924
Energy: 2.170574239488044
Energy: 2.244811783316081
Energy: 2.480048381537002
Energy: 2.2997813658168584
Energy: 2.218789653619787
Energy: 2.299781365816169
Energy: 2.480048381537002
Energy: 2.2997813658168584
Energy: 2.553123885946316
Energy: 2.427491933890603
Energy: 2.1285193072870627
Energy: 2.427491933890603
Energy: 2.553123885946316
Energy: 2.427491933890603
Energy: 2.1686916572719577
Energy: 2.3125515600089908
Energy: 2.1350601774830955
Energy: 2.3125515600089908
Energy: 2.1686916572719577
Energy: 2.3125515600089908
Energy: 2.1704574272006965
Energy: 2.312531975383276
Energy: 2.204632745848357
Energy: 2.312531975383965
Energy: 2.1704574272006965
Energy: 2.312531975383965
Energy: 2.1883026649307853
Energy: 2.2927039888972063
Energy: 2.203907718642992
Energy: 2.292703988897895
Energy: 2.1883026649307853
Energy: 2.292703988897895
Energy: 2.1857116570852515
Energy: 2.2269294332004916
Energy: 2.1280579854990034
Energy: 2.226929433199803
Energy: 2.1857116570845623
Energy: 2.226929433199803
Energy: 2.1883399419797693
Energy: 2.3181135611172565
Energy: 2.127908820369004
Energy: 2.318113561118634
Energy: 2.1883399419797693
Energy: 2.3181135611158785
Energy: 2.1857642358367344
Energy: 2.3182584071393317
Energy: 2.2014925451699376
Energy: 2.3182584071393317
Energy: 2.1857642358367344
Energy: 2.318258407138643
Energy: 2.170458751851877
Energy: 2.446029159971041
Energy: 2.2058960802152496
Energy: 2.446029159971041
Energy: 2.170458751851877
Energy: 2.446029159971041
Energy: 2.1649251432986114
Energy: 2.163972089171972
Energy: 2.135198860834997
Energy: 2.163972089172661
Energy: 2.1649251432986114
Energy: 2.163972089171972
Energy: 2.5532974158126076
Energy: 2.4270257712325414
Energy: 2.1379607791627357
Energy: 2.4270257712325414
Energy: 2.5532974158132964
Energy: 2.4270257712325414
Energy: 2.5521578071172883
Energy: 2.294645705572276
Energy: 2.2186924465332094
Energy: 2.294645705572965
Energy: 2.5521578071172883
Energy: 2.294645705572965
Energy: 2.170125283181425
Energy: 2.24449700096764
Energy: 2.1290994744031657
Energy: 2.24449700096764
Energy: 2.170125283181425
Energy: 2.24449700096764
Energy: 2.164583236677205
Energy: 2.162100578419897
Energy: 2.454117894672227
Energy: 2.1621005784205862
Energy: 2.164583236677205
Energy: 2.162100578419897
Energy: 2.1846572459619837
Energy: 2.4688465735270646
Energy: 2.207718109171557
Energy: 2.4688465735263754
Energy: 2.184657245961295
Energy: 2.4688465735270646
Energy: 2.1928487420664826
Energy: 2.4873759887886164
Energy: 2.25849899004504
Energy: 2.487375988789306
Energy: 2.1928487420664826
Energy: 2.4873759887886164
Energy: 2.1848964634923127
Energy: 2.229878390074103
Energy: 2.1284916560383853
Energy: 2.229878390074103
Energy: 2.1848964634923127
Energy: 2.229878390074103
Energy: 2.1924169102507087
Energy: 2.194918846631368
Energy: 2.3016694241201385
Energy: 2.194918846631368
Energy: 2.1924169102507087
Energy: 2.194918846631368
Energy: 2.3082007993984446
Energy: 2.5005792778043614
Energy: 2.2244667750980796
Energy: 2.5005792778043614
Energy: 2.3082007993984446
Energy: 2.5005792778043614
Energy: 2.174412419055936
Energy: 2.164385342065008
Energy: 2.29980655630002
Energy: 2.164385342065008
Energy: 2.174412419055936
Energy: 2.164385342065008
Energy: 2.5797075393606006
Energy: 2.244642361358378
Energy: 2.1272845925459793
Energy: 2.244642361358378
Energy: 2.5797075393606006
Energy: 2.244642361358378
Energy: 2.512899359109992
Energy: 2.512210546173434
Energy: 2.219131339367642
Energy: 2.512210546173434
Energy: 2.512899359109992
Energy: 2.512210546173434
Energy: 2.4118321022890874
Energy: 2.2444125838838667
Energy: 2.122537784438712
Energy: 2.2444125838838667
Energy: 2.4118321022890874
Energy: 2.2444125838845563

minimum gb energy = 2.122537784438712 eV
minimum distance =  2.40930839835405 Angstroms
sigma value = 67


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

Energy: 2.2036028729420005
Energy: 2.5590960366965434
Energy: 2.7003033279821356
Energy: 2.5590960366965434
Energy: 2.203602872942982
Energy: 2.5590960366965434
Energy: 2.4904643557514268
Energy: 2.182856945839857
Energy: 2.143901845219422
Energy: 2.182856945839857
Energy: 2.4904643557524087
Energy: 2.182856945839857
Energy: 2.1670664857906923
Energy: 2.269015610208101
Energy: 2.324291343167767
Energy: 2.269015610208101
Energy: 2.1670664857906923
Energy: 2.269015610208101
Energy: 2.568138739758083
Energy: 2.595186082474874
Energy: 2.1541075620269474
Energy: 2.595186082474874
Energy: 2.5681387397571016
Energy: 2.595186082474874
Energy: 2.1439907643810816
Energy: 2.5906638485017783
Energy: 2.533363709725919
Energy: 2.5906638485017783
Energy: 2.1439907643810816
Energy: 2.5906638485017783
Energy: 2.141934448409506
Energy: 2.1633239827078965
Energy: 2.1429921456834795
Energy: 2.1633239827078965
Energy: 2.141934448409506
Energy: 2.163323982706915
Energy: 2.1651987360687306
Energy: 2.1824626463510084
Energy: 2.172450230905692
Energy: 2.1824626463500265
Energy: 2.165198736069712
Energy: 2.1824626463510084
Energy: 2.1623537552446526
Energy: 2.432337450240054
Energy: 2.4906404783398357
Energy: 2.4323374502410355
Energy: 2.1623537552446526
Energy: 2.432337450240054
Energy: 2.163369898529177
Energy: 2.4819998263314336
Energy: 2.4909876001029323
Energy: 2.4819998263314336
Energy: 2.163369898529177
Energy: 2.4819998263314336
Energy: 2.167123726215711
Energy: 2.170237285939857
Energy: 2.1804838868314618
Energy: 2.170237285939857
Energy: 2.1671237262147294
Energy: 2.1702372859408383
Energy: 2.143423149840464
Energy: 2.4447023075458545
Energy: 2.1741377682627494
Energy: 2.4447023075458545
Energy: 2.143423149840464
Energy: 2.444702307546836
Energy: 2.1467589681810217
Energy: 2.2516093061163813
Energy: 2.146822494278436
Energy: 2.251609306117363
Energy: 2.1467589681820036
Energy: 2.2516093061163813
Energy: 2.173736415610884
Energy: 2.444840565034409
Energy: 2.143468529469347
Energy: 2.444840565034409
Energy: 2.1737364156118653
Energy: 2.444840565034409
Energy: 2.180522840104517
Energy: 2.169723977756026
Energy: 2.166986095885592
Energy: 2.1697239777550443
Energy: 2.180522840104517
Energy: 2.169723977756026
Energy: 2.4909766531336004
Energy: 2.4820073384496992
Energy: 2.1633750272059826
Energy: 2.4820073384496992
Energy: 2.4909766531336004
Energy: 2.4820073384496992
Energy: 2.490643597303434
Energy: 2.4326751262902095
Energy: 2.162500962809718
Energy: 2.4326751262902095
Energy: 2.4906435973024523
Energy: 2.4326751262902095
Energy: 2.172375430775556
Energy: 2.1825133919942115
Energy: 2.1652177106650368
Energy: 2.1825133919942115
Energy: 2.172375430775556
Energy: 2.1825133919942115
Energy: 2.143162146035009
Energy: 2.1628115807190524
Energy: 2.1418061723179815
Energy: 2.1628115807190524
Energy: 2.143162146035009
Energy: 2.1628115807190524
Energy: 2.5338497030144818
Energy: 2.5906481310201057
Energy: 2.1439937013507158
Energy: 2.5906481310201057
Energy: 2.5338497030144818
Energy: 2.5906481310201057
Energy: 2.15904421237651
Energy: 2.595333150477981
Energy: 2.5681064086461673
Energy: 2.5953331504769994
Energy: 2.15904421237651
Energy: 2.5953331504769994
Energy: 2.324527395363534
Energy: 2.269015610208101
Energy: 2.1670557452804977
Energy: 2.269015610208101
Energy: 2.324527395364516
Energy: 2.269015610208101
Energy: 2.143893219100763
Energy: 2.182446018613099
Energy: 2.4903426679686658
Energy: 2.182446018613099
Energy: 2.143893219100763
Energy: 2.182446018613099
Energy: 2.4426937911446482
Energy: 2.5590960366965434
Energy: 2.203602872942982
Energy: 2.5590960366965434
Energy: 2.44269379114563
Energy: 2.5590960366965434

minimum gb energy = 2.1418061723179815 eV
minimum distance =  2.38564814427409 Angstroms
sigma value = 33


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

Energy: 2.3846568945486775
Energy: 2.65080099427829
Energy: 2.6915180096924076
Energy: 2.6508009942776676
Energy: 2.3846568945486775
Energy: 2.65080099427829
Energy: 2.5816464605663287
Energy: 2.383911886900635
Energy: 2.1407611631494334
Energy: 2.383911886900635
Energy: 2.5816464605663287
Energy: 2.383911886900635
Energy: 2.1322003586347655
Energy: 2.2300579474231492
Energy: 2.505420068210682
Energy: 2.2300579474231492
Energy: 2.1322003586347655
Energy: 2.2300579474231492
Energy: 2.22316216465497
Energy: 2.3496551784985353
Energy: 2.1483075588398655
Energy: 2.3496551784985353
Energy: 2.22316216465497
Energy: 2.3496551784985353
Energy: 2.319899055005155
Energy: 2.473824249592086
Energy: 2.3013833155751655
Energy: 2.473824249592086
Energy: 2.319899055005155
Energy: 2.473824249592086
Energy: 2.3132299604245246
Energy: 2.2489453249251876
Energy: 2.1209290634482745
Energy: 2.2489453249251876
Energy: 2.3132299604245246
Energy: 2.333787747709487
Energy: 2.1255163779163233
Energy: 2.17182384539526
Energy: 2.1404848185226326
Energy: 2.171823845395883
Energy: 2.1255163779163233
Energy: 2.17182384539526
Energy: 2.1398573979820124
Energy: 2.490050007970389
Energy: 2.3133581659027005
Energy: 2.490050007970389
Energy: 2.1398573979820124
Energy: 2.490050007970389
Energy: 2.3032431492281664
Energy: 2.3586243074039794
Energy: 2.311900519676998
Energy: 2.3586243074039794
Energy: 2.3032431492281664
Energy: 2.3586243074039794
Energy: 2.1393224059931115
Energy: 2.173393086424663
Energy: 2.1215156334549854
Energy: 2.173393086422794
Energy: 2.1393224059931115
Energy: 2.17339308642404
Energy: 2.1126897892778778
Energy: 2.241964861669625
Energy: 2.1547322299671157
Energy: 2.241964861669625
Energy: 2.1126897892778778
Energy: 2.241964861669625
Energy: 2.1301578697954833
Energy: 2.2606576866218537
Energy: 2.573798848913227
Energy: 2.2606576866218537
Energy: 2.1301578697954833
Energy: 2.260657686623099
Energy: 2.330283927415329
Energy: 2.4872665675673153
Energy: 2.3641777051268895
Energy: 2.4872665675673153
Energy: 2.3302839274159517
Energy: 2.487266567566693
Energy: 2.140270682871089
Energy: 2.3848820125476515
Energy: 2.1293269908384436
Energy: 2.3848820125476515
Energy: 2.140270682871089
Energy: 2.3848820125476515
Energy: 2.3016129638662983
Energy: 2.231946496028428
Energy: 2.1210460504267976
Energy: 2.231946496028428
Energy: 2.3016129638662983
Energy: 2.231946496028428
Energy: 2.148299769872698
Energy: 2.3491734328785556
Energy: 2.5711240390872816
Energy: 2.3491734328791787
Energy: 2.148299769872698
Energy: 2.3491734328791787
Energy: 2.6357798167149045
Energy: 2.656651446582794
Energy: 2.345704125913402
Energy: 2.656651446582794
Energy: 2.6357798167149045
Energy: 2.6566514465834166
Energy: 2.120661663925619
Energy: 2.1781955725183497
Energy: 2.591739835416158
Energy: 2.1781955725183497
Energy: 2.120661663924996
Energy: 2.1781955725183497
Energy: 2.349181746818594
Energy: 2.1778209685332612
Energy: 2.1263467086132453
Energy: 2.177820968532638
Energy: 2.349181746818594
Energy: 2.177820968532638
Energy: 2.3135533478427965
Energy: 2.6568834637628913
Energy: 2.1461223066565447
Energy: 2.6568834637628913
Energy: 2.3135533478427965
Energy: 2.6568834637628913
Energy: 2.5711203480473506
Energy: 2.338454911181224
Energy: 2.136042222345421
Energy: 2.338454911181224
Energy: 2.5711203480473506
Energy: 2.338454911181224
Energy: 2.1238661805651837
Energy: 2.1570064666181485
Energy: 2.3052771468267643
Energy: 2.1570064666181485
Energy: 2.123866180565807
Energy: 2.1570064666181485
Energy: 2.151492994161655
Energy: 2.5265719690137574
Energy: 2.1270493298092115
Energy: 2.5265719690137574
Energy: 2.151492994161655
Energy: 2.5265719690137574
Energy: 2.3590046162795706
Energy: 2.3538038947444844
Energy: 2.1128725802768913
Energy: 2.3538038947444844
Energy: 2.3590046162795706
Energy: 2.3538038947444844
Energy: 2.574980981173388
Energy: 2.263892809830747
Energy: 2.1124064549280575
Energy: 2.2638928098313698
Energy: 2.574980981173388
Energy: 2.263892809830747
Energy: 2.1499653984177596
Energy: 2.4814768753580325
Energy: 2.130068643918284
Energy: 2.481476875358655
Energy: 2.149965398418382
Energy: 2.4814768753580325
Energy: 2.1222291495577412
Energy: 2.1737686547459076
Energy: 2.3035958633636806
Energy: 2.1737686547452846
Energy: 2.1222291495571186
Energy: 2.1737686547452846
Energy: 2.313620991128883
Energy: 2.344337776134872
Energy: 2.1301841153873986
Energy: 2.3443377761354944
Energy: 2.313620991128883
Energy: 2.344337776134872
Energy: 2.3196037841357913
Energy: 2.4789901821485616
Energy: 2.1399710103825758
Energy: 2.4789901821485616
Energy: 2.3196037841357913
Energy: 2.4789901821485616
Energy: 2.1426264370435875
Energy: 2.1755953950751574
Energy: 2.1296054715409554
Energy: 2.1755953950751574
Energy: 2.1426264370435875
Energy: 2.1755953950751574
Energy: 2.1261793561081457
Energy: 2.3342763447309416
Energy: 2.571084693516097
Energy: 2.334276344730319
Energy: 2.1261793561081457
Energy: 2.334276344730319
Energy: 2.3015607283398656
Energy: 2.656429460516455
Energy: 2.3133773890319174
Energy: 2.656429460516455
Energy: 2.301560728339243
Energy: 2.656429460515832
Energy: 2.1455656771822977
Energy: 2.3489038433018212
Energy: 2.4797785753552963
Energy: 2.348903843301199
Energy: 2.1455656771816747
Energy: 2.3489038433018212
Energy: 2.512804370890894
Energy: 2.2307801197631507
Energy: 2.1334764070921883
Energy: 2.2307801197631507
Energy: 2.5128043708915166
Energy: 2.2307801197631507
Energy: 2.1372872838146493
Energy: 2.385339470854124
Energy: 2.4730564659580234
Energy: 2.385339470854124
Energy: 2.137287283815272
Energy: 2.385339470854124
Energy: 2.330945754571982
Energy: 2.488977813915957
Energy: 2.3917250763316735
Energy: 2.4889778139190706
Energy: 2.330945754571982
Energy: 2.4889778139078613
Energy: 2.126686530161115
Energy: 2.447946000146383
Energy: 2.575141227768495
Energy: 2.44794600014576
Energy: 2.126686530161115
Energy: 2.447946000145137

minimum gb energy = 2.1124064549280575 eV
minimum distance =  2.37096172653428 Angstroms
sigma value = 41


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

Energy: 1.9664310521420225
Energy: 2.719839138984041
Energy: 2.8365850707618057
Energy: 2.719839138984041
Energy: 1.9664310521420225
Energy: 2.719839138984041
Energy: 2.618354688717208
Energy: 1.953306410908115
Energy: 1.947432362552783
Energy: 1.953306410908115
Energy: 2.618354688717208
Energy: 1.953306410908115
Energy: 1.9639241511331418
Energy: 2.230835778783249
Energy: 1.949169070440832
Energy: 2.230835778783249
Energy: 1.9639241511331418
Energy: 2.230835778783249
Energy: 2.5945883549114646
Energy: 1.9538617019275515
Energy: 1.9472776898435131
Energy: 1.9538617019275515
Energy: 2.5945883549114646
Energy: 1.9538617019275515
Energy: 1.9590825742951026
Energy: 2.390633882311436
Energy: 1.9495050333855055
Energy: 2.390633882311436
Energy: 1.9590825742951026
Energy: 2.390633882311436
Energy: 1.9651383222228342
Energy: 2.069053710197348
Energy: 1.9568695205712294
Energy: 2.069053710197348
Energy: 1.9651383222228342
Energy: 2.069053710197348
Energy: 2.588843721980657
Energy: 1.9543041059698856
Energy: 1.954267049343567
Energy: 1.9543041059698856
Energy: 2.588843721980657
Energy: 1.9543041059698856
Energy: 1.9694293699338044
Energy: 1.948293829093786
Energy: 1.94694826188237
Energy: 1.948293829093786
Energy: 1.9694293699338044
Energy: 1.948293829093786
Energy: 2.5876814909180226
Energy: 2.072913333495143
Energy: 1.954795360813653
Energy: 2.072913333495143
Energy: 2.5876814909180226
Energy: 2.072913333495143
Energy: 1.9771240322656696
Energy: 2.3895702282527957
Energy: 1.9481752744158907
Energy: 2.3895702282510958
Energy: 1.9771240322656696
Energy: 2.3895702282527957
Energy: 2.631406553543985
Energy: 1.9533639770597333
Energy: 1.9564020548007948
Energy: 1.9533639770597333
Energy: 2.631406553543985
Energy: 1.9533639770597333
Energy: 1.957007058937452
Energy: 2.2304507998571523
Energy: 2.602942198239268
Energy: 2.2304507998571523
Energy: 1.957007058937452
Energy: 2.2304507998571523
Energy: 2.6313223739772647
Energy: 1.953362378541705
Energy: 1.9564030047959062
Energy: 1.953362378541705
Energy: 2.6313223739772647
Energy: 1.953362378541705
Energy: 1.977102203968214
Energy: 2.3895669761770555
Energy: 1.9482286263147257
Energy: 2.389566976178756
Energy: 1.9771022039699142
Energy: 2.3895669761770555

minimum gb energy = 1.94694826188237 eV
minimum distance =  2.43483620221635 Angstroms
sigma value = 11


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

Energy: 2.4699666686794717
Energy: 2.1880347543193297
Energy: 2.8688232335676522
Energy: 2.1880347543193297
Energy: 2.4699666686794717
Energy: 2.1880347543193297
Energy: 2.5228967807602887
Energy: 2.406472509501778
Energy: 2.1351437927826273
Energy: 2.406472509501778
Energy: 2.5228967807602887
Energy: 2.406472509501031
Energy: 2.137722183880982
Energy: 2.3807625913276604
Energy: 2.137550536257867
Energy: 2.3807625913276604
Energy: 2.137722183880982
Energy: 2.3807625913276604
Energy: 2.1761260102849387
Energy: 2.2036431695751837
Energy: 2.132700457052505
Energy: 2.2036431695751837
Energy: 2.1761260102849387
Energy: 2.203643169574437
Energy: 2.3687258724693163
Energy: 2.3950133239962743
Energy: 2.1804397932485045
Energy: 2.395013323997021
Energy: 2.3687258724693163
Energy: 2.3950133239962743
Energy: 2.1565595878234523
Energy: 2.4004368237730347
Energy: 2.3521858063086603
Energy: 2.4004368237730347
Energy: 2.1565595878234523
Energy: 2.4004368237730347
Energy: 2.176651314040392
Energy: 2.3869654049738545
Energy: 2.1574569774898125
Energy: 2.3869654049738545
Energy: 2.176651314040392
Energy: 2.3869654049738545
Energy: 2.138364158775759
Energy: 2.205831532043945
Energy: 2.1412176513122403
Energy: 2.205831532043945
Energy: 2.138364158775759
Energy: 2.205831532043945
Energy: 2.390942023511944
Energy: 2.295973379555505
Energy: 2.1344801090643664
Energy: 2.295973379555505
Energy: 2.390942023511944
Energy: 2.295973379555505
Energy: 2.134407516923414
Energy: 2.5467798825397874
Energy: 2.2884900641203143
Energy: 2.5467798825390404
Energy: 2.134407516923414
Energy: 2.5467798825390404
Energy: 2.3962247437818385
Energy: 2.561471023523792
Energy: 2.385358051403343
Energy: 2.561471023523792
Energy: 2.3962247437818385
Energy: 2.561471023523792
Energy: 2.132592502500562
Energy: 2.4011282214321525
Energy: 2.3859803350490285
Energy: 2.4011282214321525
Energy: 2.132592502500562
Energy: 2.4011282214321525
Energy: 2.1321805343875107
Energy: 2.373845726517952
Energy: 2.4027095719266907
Energy: 2.373845726517952
Energy: 2.1321805343875107
Energy: 2.373845726517952
Energy: 2.1763709412062004
Energy: 2.295415764553537
Energy: 2.185859675739
Energy: 2.295415764553537
Energy: 2.1763709412054535
Energy: 2.295415764554284
Energy: 2.133618804714601
Energy: 2.563252458703899
Energy: 2.354188786556029
Energy: 2.563252458703899
Energy: 2.133618804714601
Energy: 2.563252458703899
Energy: 2.441101393630662
Energy: 2.4428970125120792
Energy: 2.1955289069316577
Energy: 2.4428970125120792
Energy: 2.441101393630662
Energy: 2.4428970125120792
Energy: 2.157483720891534
Energy: 2.403818929740132
Energy: 2.3523586076811442
Energy: 2.403818929740132
Energy: 2.1574837208908213
Energy: 2.403818929740132
Energy: 2.3523653659652575
Energy: 2.5629668286519824
Energy: 2.132567903007418
Energy: 2.5629668286519824
Energy: 2.352365365966004
Energy: 2.5629668286519824
Energy: 2.1816517022667887
Energy: 2.1773691332000924
Energy: 2.1793746259215045
Energy: 2.1773691332000924
Energy: 2.1816517022667887
Energy: 2.1773691332000924
Energy: 2.1373793623569117
Energy: 2.382112998513403
Energy: 2.132227147121884
Energy: 2.382112998513403
Energy: 2.1373793623569117
Energy: 2.382112998513403
Energy: 2.3727024460224455
Energy: 2.399329523138935
Energy: 2.135859454356351
Energy: 2.399329523138935
Energy: 2.3727024460224455
Energy: 2.399329523138935
Energy: 2.3787488348918417
Energy: 2.5652918222184633
Energy: 2.399333364790905
Energy: 2.56529182221921
Energy: 2.3787488348918417
Energy: 2.56529182221921
Energy: 2.175936430712567
Energy: 2.4175902188227676
Energy: 2.1575685429118026
Energy: 2.4175902188227676
Energy: 2.175936430712567
Energy: 2.4175902188227676
Energy: 2.13167756523614
Energy: 2.2964447477875454
Energy: 2.389512145590294
Energy: 2.2964447477875454
Energy: 2.13167756523614
Energy: 2.2964447477875454
Energy: 2.1319458502031026
Energy: 2.202991753084288
Energy: 2.136013868023862
Energy: 2.202991753084288
Energy: 2.1319458502031026
Energy: 2.202991753084288
Energy: 2.1593042700304066
Energy: 2.3862737112019823
Energy: 2.176422372731501
Energy: 2.3862737112019823
Energy: 2.1593042700304066
Energy: 2.3862737112019823
Energy: 2.3658833249769082
Energy: 2.403962719940481
Energy: 2.3685338461563514
Energy: 2.403962719940481
Energy: 2.3658833249769082
Energy: 2.403962719940481
Energy: 2.181427161967954
Energy: 2.395473510465007
Energy: 2.15650368136237
Energy: 2.395473510465007
Energy: 2.181427161968701
Energy: 2.3954735104642606
Energy: 2.13772039409149
Energy: 2.203846095708046
Energy: 2.176422351614444
Energy: 2.203846095708046
Energy: 2.13772039409149
Energy: 2.203846095708046
Energy: 2.140674192999414
Energy: 2.380570618632677
Energy: 2.136605396027905
Energy: 2.380570618632677
Energy: 2.140674192999414
Energy: 2.380570618632677
Energy: 2.13285858215338
Energy: 2.4189264419206054
Energy: 2.3907016938285985
Energy: 2.4189264419213523
Energy: 2.13285858215338
Energy: 2.4189264419213523

minimum gb energy = 2.13167756523614 eV
minimum distance =  2.38340768855163 Angstroms
sigma value = 57


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

Energy: 2.2145989804946473
Energy: 2.169760510972973
Energy: 2.648207877369403
Energy: 2.169760510972973
Energy: 2.2145989804946473
Energy: 2.169760510972973
Energy: 2.119868539558974
Energy: 2.150692924942347
Energy: 2.1488040343456656
Energy: 2.2494693755300013
Energy: 2.119868539558974
Energy: 2.150692924942347
Energy: 2.1494279883435605
Energy: 2.30135608641277
Energy: 2.1501586509383848
Energy: 2.30135608641277
Energy: 2.1494279883435605
Energy: 2.30135608641277
Energy: 2.150999936813054
Energy: 2.3623157151637324
Energy: 2.1509359775635013
Energy: 2.364537144159935
Energy: 2.150999936813054
Energy: 2.25512473413982
Energy: 2.150420864057667
Energy: 2.301359016647422
Energy: 2.15072188866089
Energy: 2.301359016647422
Energy: 2.150420864057667
Energy: 2.301359016647422
Energy: 2.148802638188783
Energy: 2.1506798441004467
Energy: 2.1201316061114572
Energy: 2.1506798441004467
Energy: 2.1488026381874534
Energy: 2.1506798441004467
Energy: 2.247652928804048
Energy: 2.169760510972973
Energy: 2.2145989804946473
Energy: 2.169760510972973
Energy: 2.247652928804048
Energy: 2.169760510972973
Energy: 2.1488040343456656
Energy: 2.150692924942347
Energy: 2.119868539558974
Energy: 2.150692924942347
Energy: 2.1488040343456656
Energy: 2.313234765900729
Energy: 2.1501586509397144
Energy: 2.30135608641277
Energy: 2.1494279883435605
Energy: 2.30135608641277
Energy: 2.1501586509397144
Energy: 2.30135608641277
Energy: 2.1509359775635013
Energy: 2.3623157151783536
Energy: 2.150999936813054
Energy: 2.255124734141149
Energy: 2.1509359775648305
Energy: 2.3623157151690495
Energy: 2.150721888659561
Energy: 2.301359016647422
Energy: 2.150420864057667
Energy: 2.301359016647422
Energy: 2.15072188866089
Energy: 2.301359016647422
Energy: 2.1201316061114572
Energy: 2.1506798441004467
Energy: 2.1488026381874534
Energy: 2.1506798441004467
Energy: 2.1201316061114572
Energy: 2.1506798441004467
Energy: 2.2145989804946473
Energy: 2.169760510972973
Energy: 2.2476529288053775
Energy: 2.169760510972973
Energy: 2.2145989804946473
Energy: 2.169760510972973
Energy: 2.119868539558974
Energy: 2.150692924943676
Energy: 2.1488040343456656
Energy: 2.150692924943676
Energy: 2.119868539558974
Energy: 2.150692924942347
Energy: 2.1494279883435605
Energy: 2.30135608641277
Energy: 2.1501586509383848
Energy: 2.30135608641277
Energy: 2.1494279883435605
Energy: 2.30135608641277
Energy: 2.150999936813054
Energy: 2.255124734141149
Energy: 2.1509359775648305
Energy: 2.255124734141149
Energy: 2.150999936813054
Energy: 2.255124734141149
Energy: 2.150420864057667
Energy: 2.301359016647422
Energy: 2.15072188866089
Energy: 2.301359016647422
Energy: 2.150420864057667
Energy: 2.301359016647422

minimum gb energy = 2.119868539558974 eV
minimum distance =  2.448963513752 Angstroms
sigma value = 9


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

Energy: 2.284897818205454
Energy: 2.0797773798413344
Energy: 2.651804681156638
Energy: 2.0797773798413344
Energy: 2.284897818204369
Energy: 2.0797773798413344
Energy: 2.251266637107419
Energy: 2.3401948179368697
Energy: 2.0780789298577336
Energy: 2.3401948179368697
Energy: 2.251266637107419
Energy: 2.3401948179368697
Energy: 2.1455533918942233
Energy: 2.2988329867580117
Energy: 2.0801313954310108
Energy: 2.2988329867580117
Energy: 2.1455533918953082
Energy: 2.2988329867580117
Energy: 2.120003686961608
Energy: 2.143959643975095
Energy: 2.215519739323443
Energy: 2.143959643975095
Energy: 2.120003686961608
Energy: 2.143959643975095
Energy: 2.2009729146523687
Energy: 2.2767106370796713
Energy: 2.0813423412159024
Energy: 2.2767106370796713
Energy: 2.2009729146523687
Energy: 2.2767106370796713
Energy: 2.1204542582676322
Energy: 2.146009060264225
Energy: 2.085430267555545
Energy: 2.146009060264225
Energy: 2.1204542582676322
Energy: 2.146009060264225
Energy: 2.1416959150769155
Energy: 2.293769891635289
Energy: 2.082942266496913
Energy: 2.293769891636374
Energy: 2.1416959150769155
Energy: 2.293769891635289
Energy: 2.1980594697918874
Energy: 2.337304668932117
Energy: 2.088822447474827
Energy: 2.337304668932117
Energy: 2.1980594697918874
Energy: 2.337304668932117
Energy: 2.1944099110598785
Energy: 2.2675843988345066
Energy: 2.2242387408729214
Energy: 2.2675843988345066
Energy: 2.1944099110598785
Energy: 2.2675843988345066
Energy: 2.1264661492605135
Energy: 2.123071425133082
Energy: 2.1057510458394684
Energy: 2.123071425133082
Energy: 2.1264661492605135
Energy: 2.123071425133082
Energy: 2.122299218132606
Energy: 2.204289031313503
Energy: 2.1980297385555225
Energy: 2.2042890313145884
Energy: 2.1222992181336915
Energy: 2.204289031313503
Energy: 2.1197757214759947
Energy: 2.142621875417903
Energy: 2.219713798833738
Energy: 2.142621875417903
Energy: 2.1197757214759947
Energy: 2.142621875417903
Energy: 2.1219603528325965
Energy: 2.142477440920205
Energy: 2.198660180469103
Energy: 2.1424774409191194
Energy: 2.1219603528325965
Energy: 2.142477440920205
Energy: 2.1200878815053543
Energy: 2.142472665791518
Energy: 2.270353759693805
Energy: 2.142472665792603
Energy: 2.1200878815053543
Energy: 2.142472665791518
Energy: 2.3240829571425734
Energy: 2.1238296586113634
Energy: 2.107403687970241
Energy: 2.123829658610278
Energy: 2.3240829571425734
Energy: 2.123829658610278
Energy: 2.1943938107105176
Energy: 2.2679867546862447
Energy: 2.2191508848581907
Energy: 2.2679867546862447
Energy: 2.1943938107105176
Energy: 2.2679867546862447
Energy: 2.1948424786319674
Energy: 2.274143814688794
Energy: 2.215591432817282
Energy: 2.274143814688794
Energy: 2.1948424786319674
Energy: 2.274143814688794
Energy: 2.343873501473142
Energy: 2.1272662290244124
Energy: 2.105824884456026
Energy: 2.1272662290244124
Energy: 2.343873501473142
Energy: 2.127266229025498
Energy: 2.12351933756341
Energy: 2.1431119631255116
Energy: 2.22192160455217
Energy: 2.143111963126598
Energy: 2.12351933756341
Energy: 2.1431119631255116
Energy: 2.130237594349036
Energy: 2.291902234592801
Energy: 2.1031226400999996
Energy: 2.291902234592801
Energy: 2.130237594349036
Energy: 2.291902234592801
Energy: 2.123305713751373
Energy: 2.142244041610909
Energy: 2.2157915313473255
Energy: 2.142244041610909
Energy: 2.123305713751373
Energy: 2.142244041610909

minimum gb energy = 2.0780789298577336 eV
minimum distance =  2.4289565719738 Angstroms
sigma value = 27


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

Energy: 2.2587744170177184
Energy: 2.1543949056743728
Energy: 2.530049707936298
Energy: 2.1543949056743728
Energy: 2.2587744170177184
Energy: 2.1543949056743728
Energy: 2.2001323243882376
Energy: 2.143104346656219
Energy: 2.110544239012868
Energy: 2.143104346656219
Energy: 2.2001323243882376
Energy: 2.143104346656219
Energy: 2.1277374842735512
Energy: 2.126859072334525
Energy: 2.109899159825461
Energy: 2.126859072334525
Energy: 2.1277374842735512
Energy: 2.126859072334525
Energy: 2.107173412857536
Energy: 2.39772090332405
Energy: 2.126116541349983
Energy: 2.39772090332405
Energy: 2.107173412857536
Energy: 2.39772090332405
Energy: 2.1335282552623718
Energy: 2.2022134001842164
Energy: 2.064707401550095
Energy: 2.2022134001842164
Energy: 2.1335282552623718
Energy: 2.2022134001842164
Energy: 2.127816315705293
Energy: 2.129038781101639
Energy: 2.116349549034402
Energy: 2.129038781101639
Energy: 2.127816315705293
Energy: 2.129038781101639
Energy: 2.0697874925441004
Energy: 2.3423894997537564
Energy: 2.094281011830588
Energy: 2.3423894997537564
Energy: 2.0697874925441004
Energy: 2.3423894997537564
Energy: 2.110173309215198
Energy: 2.2532863015771305
Energy: 2.0949552287772337
Energy: 2.2532863015771305
Energy: 2.110173309215198
Energy: 2.2532863015771305
Energy: 2.1975701399143968
Energy: 2.3265590216388192
Energy: 2.276518522289794
Energy: 2.3265590216388192
Energy: 2.1975701399143968
Energy: 2.3265590216388192
Energy: 2.1114768423928174
Energy: 2.109836501566443
Energy: 2.105514623790362
Energy: 2.1098365015655283
Energy: 2.1114768423928174
Energy: 2.1098365015655283
Energy: 2.112290412671744
Energy: 2.0643918371768226
Energy: 2.1055156941627176
Energy: 2.0643918371768226
Energy: 2.112290412671744
Energy: 2.0643918371768226
Energy: 2.1972595391480123
Energy: 2.32660525911245
Energy: 2.104975467070519
Energy: 2.32660525911245
Energy: 2.1972595391480123
Energy: 2.3266052591115347
Energy: 2.111100888804335
Energy: 2.335831765695318
Energy: 2.094113250120346
Energy: 2.335831765695318
Energy: 2.111100888804335
Energy: 2.335831765695318
Energy: 2.0694861890956036
Energy: 2.2871270782271726
Energy: 2.0942644297912434
Energy: 2.2871270782271726
Energy: 2.0694861890956036
Energy: 2.2871270782271726
Energy: 2.1192455429055963
Energy: 2.1157722174554823
Energy: 2.1162842062968954
Energy: 2.1157722174554823
Energy: 2.1192455429055963
Energy: 2.1157722174554823
Energy: 2.119401725527425
Energy: 2.2022134001842164
Energy: 2.0638783077823013
Energy: 2.2022134001842164
Energy: 2.119401725527425
Energy: 2.2022134001851312
Energy: 2.107631994842679
Energy: 2.3403082116169434
Energy: 2.170578686495117
Energy: 2.340308211616028
Energy: 2.107631994842679
Energy: 2.340308211616028
Energy: 2.1272457208558477
Energy: 2.126658920707312
Energy: 2.1107243023784976
Energy: 2.126658920707312
Energy: 2.1272457208558477
Energy: 2.126658920707312
Energy: 2.15455642133976
Energy: 2.1600607715104934
Energy: 2.109835712207857
Energy: 2.1600607715104934
Energy: 2.15455642133976
Energy: 2.1600607715104934
Energy: 2.2587744170177184
Energy: 2.1543949056743728
Energy: 2.530049707936298
Energy: 2.1543949056743728
Energy: 2.2587744170177184
Energy: 2.1543949056752876
Energy: 2.2001323243882376
Energy: 2.143104346657134
Energy: 2.110544239012868
Energy: 2.143104346656219
Energy: 2.2001323243873228
Energy: 2.143104346657134
Energy: 2.1277374842735512
Energy: 2.126859072334525
Energy: 2.109899159825461
Energy: 2.126859072334525
Energy: 2.1277374842735512
Energy: 2.126859072334525
Energy: 2.107173412857536
Energy: 2.39772090332405
Energy: 2.126116541349983
Energy: 2.39772090332405
Energy: 2.107173412857536
Energy: 2.397720903323135
Energy: 2.1335282552623718
Energy: 2.2022134001842164
Energy: 2.064707401550095
Energy: 2.2022134001842164
Energy: 2.1335282552623718
Energy: 2.2022134001842164
Energy: 2.127816315705293
Energy: 2.129038781101639
Energy: 2.116349549034402
Energy: 2.129038781102554
Energy: 2.127816315705293
Energy: 2.129038781101639

minimum gb energy = 2.0638783077823013 eV
minimum distance =  2.43518648035859 Angstroms
sigma value = 19


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

Energy: 2.2434097396679373
Energy: 2.0841199814554936
Energy: 2.1162569467876318
Energy: 2.0841199814554936
Energy: 2.243409739667148
Energy: 2.0841199814554936
Energy: 2.068500100641075
Energy: 2.2108388086127273
Energy: 2.0425275026381744
Energy: 2.2108388086127273
Energy: 2.068500100641075
Energy: 2.2108388086127273
Energy: 2.071471349684374
Energy: 2.0554298858425204
Energy: 2.042561571760967
Energy: 2.0554298858417304
Energy: 2.071471349684374
Energy: 2.0554298858417304
Energy: 2.017541800075457
Energy: 2.1599828802414915
Energy: 2.0441691429542157
Energy: 2.159982880242281
Energy: 2.017541800075457
Energy: 2.159982880242281
Energy: 2.017725429112204
Energy: 2.043969950510521
Energy: 2.0439276134214546
Energy: 2.043969950510521
Energy: 2.017725429112994
Energy: 2.043969950510521
Energy: 2.0504876246960935
Energy: 2.2654426091464677
Energy: 2.044006268967335
Energy: 2.2654426091464677
Energy: 2.0504876246960935
Energy: 2.2654426091464677
Energy: 2.000743499501056
Energy: 2.298105344004359
Energy: 2.0437221642861902
Energy: 2.298105344004359
Energy: 2.000743499501056
Energy: 2.2981053440051484
Energy: 2.062408017811656
Energy: 2.265443326137397
Energy: 2.0437800702100666
Energy: 2.265443326137397
Energy: 2.062408017811656
Energy: 2.265443326137397
Energy: 2.0178240936779703
Energy: 2.182718406574076
Energy: 2.1290731617848406
Energy: 2.182718406574076
Energy: 2.0178240936779703
Energy: 2.182718406574076
Energy: 2.018955891006591
Energy: 2.252429890328239
Energy: 2.0565700483897587
Energy: 2.2524298903290285
Energy: 2.018955891006591
Energy: 2.2524298903290285
Energy: 2.061801285850095
Energy: 2.0292894389539344
Energy: 2.042619738376642
Energy: 2.0292894389539344
Energy: 2.061801285850095
Energy: 2.0292894389539344
Energy: 2.0329041114507165
Energy: 2.050572144013822
Energy: 2.0422824080728876
Energy: 2.050572144014612
Energy: 2.0329041114507165
Energy: 2.050572144013822
Energy: 2.0332130594227524
Energy: 2.000436076134086
Energy: 2.0531320575558514
Energy: 2.000436076134086
Energy: 2.0332130594227524
Energy: 2.000436076134086
Energy: 2.0692024333799894
Energy: 2.027315258414004
Energy: 2.071330822404501
Energy: 2.027315258414004
Energy: 2.0692024333792003
Energy: 2.027315258414004
Energy: 2.017826125589945
Energy: 2.063822037178641
Energy: 2.0804428032441975
Energy: 2.0638220371691656
Energy: 2.017826125589945
Energy: 2.0638220371778515
Energy: 2.018023228714423
Energy: 2.045633333149218
Energy: 2.0038502446390933
Energy: 2.045633333149218
Energy: 2.018023228714423
Energy: 2.0456333331484284
Energy: 2.0436280847322874
Energy: 2.2656900552564063
Energy: 2.0259587030582735
Energy: 2.2656900552564063
Energy: 2.0436280847322874
Energy: 2.2656900552564063
Energy: 2.0006279536451532
Energy: 2.129256938266385
Energy: 2.017171455964253
Energy: 2.129256938266385
Energy: 2.0006279536451532
Energy: 2.129256938266385
Energy: 2.0428697943524976
Energy: 2.0453645230860236
Energy: 2.026064392723955
Energy: 2.0453645230860236
Energy: 2.0428697943524976
Energy: 2.0453645230860236
Energy: 2.0190737875839226
Energy: 2.0445093674012464
Energy: 2.0024467002943864
Energy: 2.0445093674359547
Energy: 2.0190737875839226
Energy: 2.044509367409933
Energy: 2.0182023623482737
Energy: 2.07043783561869
Energy: 2.017669931851362
Energy: 2.07043783561869
Energy: 2.0182023623482737
Energy: 2.07043783561869
Energy: 2.0673944873949193
Energy: 2.0283788526603717
Energy: 2.0713049543386495
Energy: 2.0283788526603717
Energy: 2.0673944873949193
Energy: 2.0283788526603717
Energy: 2.0979057473698277
Energy: 2.2926940804527933
Energy: 2.043298098551317
Energy: 2.2926940804527933
Energy: 2.0979057473698277
Energy: 2.2926940804527933
Energy: 2.0977032886388076
Energy: 2.0474562998308783
Energy: 2.0181055497085647
Energy: 2.0474562998308783
Energy: 2.0977032886388076
Energy: 2.0474562998308783
Energy: 2.116877241572382
Energy: 2.027248191542343
Energy: 2.0332178091141793
Energy: 2.027248191542343
Energy: 2.116877241572382
Energy: 2.027248191542343
Energy: 2.019741470372361
Energy: 2.0644510137976986
Energy: 2.045588844697001
Energy: 2.0644510137976986
Energy: 2.019741470372361
Energy: 2.0644510137976986
Energy: 2.017827673023248
Energy: 2.043739145977885
Energy: 2.100262038964915
Energy: 2.043739145977885
Energy: 2.017827673023248
Energy: 2.043739145977885
Energy: 2.0452006842662374
Energy: 2.043971790492459
Energy: 2.044030814835042
Energy: 2.043971790492459
Energy: 2.0452006842662374
Energy: 2.043971790492459
Energy: 2.000752045355167
Energy: 2.306959380941066
Energy: 2.043789456130961
Energy: 2.306959380940276
Energy: 2.000752045355167
Energy: 2.306959380941066

minimum gb energy = 2.000436076134086 eV
minimum distance =  2.38218792352711 Angstroms
sigma value = 101


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

Energy: 2.1119898359730804
Energy: 2.144454810708948
Energy: 2.372021903683249
Energy: 2.144454810709642
Energy: 2.1119898359730804
Energy: 2.144454810709642
Energy: 1.9581456940712891
Energy: 2.0573024644309084
Energy: 1.9467141506017298
Energy: 2.0573024644309084
Energy: 1.9581456940712891
Energy: 2.0573024644309084
Energy: 1.9835312233151436
Energy: 1.942398817434671
Energy: 1.9435119697943242
Energy: 1.942398817434671
Energy: 1.9835312233151436
Energy: 1.942398817434671
Energy: 1.9215481608958558
Energy: 1.955693219737352
Energy: 2.0308040795486835
Energy: 1.9394730625486605
Energy: 1.9215481608958558
Energy: 1.955693219737352
Energy: 1.9221892229636086
Energy: 1.9555370591060555
Energy: 1.9555241085942563
Energy: 1.9555370591060555
Energy: 1.9221892229636086
Energy: 1.9555370591060555
Energy: 1.9843243283910326
Energy: 2.265402194853104
Energy: 1.9221001527679966
Energy: 2.265402194853104
Energy: 1.9843243283910326
Energy: 2.2654021948524097
Energy: 1.9556686899215592
Energy: 2.3318020942370943
Energy: 1.9358831300069665
Energy: 2.3318020942370943
Energy: 1.9556686899215592
Energy: 2.331802094237788
Energy: 1.9591420898875256
Energy: 2.296007546253273
Energy: 1.9553005598120725
Energy: 2.325437134252185
Energy: 1.9591420898875256
Energy: 2.1636951637812176
Energy: 1.9218430601934113
Energy: 2.2656857075004933
Energy: 1.9832315293778622
Energy: 2.265685707499799
Energy: 1.9218430601934113
Energy: 2.265685707499799
Energy: 1.925711478411549
Energy: 2.2527713371008815
Energy: 1.9226717851918909
Energy: 2.2527713371008815
Energy: 1.9257114784122429
Energy: 2.2527713371008815
Energy: 2.04643886862954
Energy: 2.2270876538542304
Energy: 1.995585976797107
Energy: 2.2270876538542304
Energy: 2.046438868630235
Energy: 2.2270876538549245
Energy: 1.9465423221105522
Energy: 2.0143652249753874
Energy: 1.9218611259302978
Energy: 2.014365224976081
Energy: 1.9465423221112461
Energy: 2.0143652249746933
Energy: 1.943509067338269
Energy: 1.9426618488800187
Energy: 2.0016893733986825
Energy: 1.9426618488800187
Energy: 1.943509067338269
Energy: 1.9426618488800187
Energy: 2.030297052548881
Energy: 1.9975875395859126
Energy: 1.967941844661137
Energy: 1.9805200513578978
Energy: 2.0302970525495754
Energy: 1.9978302375585097
Energy: 1.93623057444077
Energy: 2.2284583491054732
Energy: 1.9573004550537145
Energy: 2.2284583491054732
Energy: 1.93623057444077
Energy: 2.2284583491054732
Energy: 1.9433747410235376
Energy: 2.119335959667454
Energy: 1.9692622136092277
Energy: 2.11933595966676
Energy: 1.9433747410235376
Energy: 2.11933595966676
Energy: 1.9356228221977767
Energy: 1.9554334902650736
Energy: 1.921747141227962
Energy: 1.9554334902650736
Energy: 1.9356228221977767
Energy: 1.9554334902650736
Energy: 1.955430957981204
Energy: 1.956278981658512
Energy: 1.925146811470732
Energy: 1.956278981658512
Energy: 1.955430957981204
Energy: 1.956278981658512
Energy: 1.9467975183153794
Energy: 2.266292989012124
Energy: 1.98403601872551
Energy: 2.266292989012124
Energy: 1.9467975183160737
Energy: 2.266292989012124
Energy: 1.9399091523727099
Energy: 2.3282733837180163
Energy: 1.9255266228233971
Energy: 2.3282733837180163
Energy: 1.9399091523727099
Energy: 2.3282733837187104
Energy: 1.9806825181580703
Energy: 1.9828678311382149
Energy: 1.9555641686521248
Energy: 1.9828678311382149
Energy: 1.9806825181580703
Energy: 1.9828678311382149
Energy: 1.9222496304341699
Energy: 2.265818822310018
Energy: 1.925296193937417
Energy: 2.265818822310018
Energy: 1.9222496304341699
Energy: 2.265818822310018
Energy: 1.9772703588744664
Energy: 2.2665403275599427
Energy: 1.9220457295054219
Energy: 2.2665403275599427
Energy: 1.9772703588744664
Energy: 2.2665403275599427
Energy: 1.9216144637739252
Energy: 1.957037954474041
Energy: 2.0685875576984647
Energy: 1.952163974341021
Energy: 1.9216144637739252
Energy: 1.957037954474041
Energy: 1.9219867850063785
Energy: 2.1605487213947834
Energy: 1.9367704479293268
Energy: 2.160548721395478
Energy: 1.9219867850063785
Energy: 2.160548721395478
Energy: 2.0006292300652544
Energy: 2.1191370443144053
Energy: 1.9436180020561316
Energy: 2.1191370443144053
Energy: 2.0006292300652544
Energy: 2.1191370443144053
Energy: 1.9681585239784476
Energy: 2.012189400521228
Energy: 1.9359415666285904
Energy: 2.012189400521228
Energy: 1.9681585239784476
Energy: 2.012189400521228
Energy: 1.9681090782565187
Energy: 1.948534102913797
Energy: 1.9594932240806684
Energy: 1.948534102913797
Energy: 1.9681090782565187
Energy: 1.948534102914491
Energy: 2.109025798175083
Energy: 2.1193497658242326
Energy: 2.0133798456222394
Energy: 2.1193497658242326
Energy: 2.1090257981743887
Energy: 2.1193497658242326
Energy: 1.9250808697341728
Energy: 1.95302640988081
Energy: 1.9592042723514984
Energy: 1.95302640988081
Energy: 1.9250808697341728
Energy: 1.9530264098815044
Energy: 1.9218821337565861
Energy: 1.9556751182961616
Energy: 1.9563434910061566
Energy: 1.9556751182961616
Energy: 1.9218821337565861
Energy: 1.9556751182968557
Energy: 2.0006940656764254
Energy: 2.264181371017342
Energy: 1.9220212958798482
Energy: 2.264181371017342
Energy: 2.000694065677119
Energy: 2.264181371017342
Energy: 1.9221687772716114
Energy: 2.044146711844897
Energy: 1.9701757269871947
Energy: 2.044146711844897
Energy: 1.9221687772723055
Energy: 2.044146711844897

minimum gb energy = 1.9215481608958558 eV
minimum distance =  2.42291041429552 Angstroms
sigma value = 33


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

Energy: 0.01884833526897837
Energy: 0.019990177369230935
Energy: 1.9797637319634405
Energy: 0.019990177369230935
Energy: 0.01884833526897837
Energy: 0.019990177369230935
Energy: 0.019651403312987627
Energy: 1.4370131623599762
Energy: 0.019651403312987627
Energy: 1.4370131623599762
Energy: 0.019651403312987627
Energy: 1.4370131623599762
Energy: 1.9797637319634405
Energy: 0.019990177369230935
Energy: 0.01884833526897837
Energy: 0.019990177369230935
Energy: 1.9797637319634405
Energy: 0.019990177369230935
Energy: 0.019651403313532313
Energy: 1.4370131623599762
Energy: 0.019651403312987627
Energy: 1.4370131623599762
Energy: 0.019651403312987627
Energy: 1.4370131623599762

minimum gb energy = 0.01884833526897837 eV
minimum distance =  2.723036157518 Angstroms
sigma value = 1