Model name: model_name=MEAM_LAMMPS_KoJimLee_2012_FeP__MO_179420363944_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098513007164
cohesive_energy=4.242432836277799
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01643193627808109
Energy: 1.212644561687567
Energy: 0.01643193627808109
Energy: 1.2126445616878814
Energy: 0.016431936278395374
Energy: 1.212644561687567
Energy: 1.212644561687567
Energy: 1.1040681692832237
Energy: 1.212644561687567
Energy: 1.1491546697205102
Energy: 1.212644561687567
Energy: 1.1491546697196022
Energy: 0.01643193627808109
Energy: 1.212644561687567
Energy: 0.01643193627808109
Energy: 1.212644561687567
Energy: 0.016431936278395374
Energy: 1.2126445616878814
Energy: 1.2126445616878814
Energy: 1.1491546697196022
Energy: 1.2126445616878814
Energy: 1.1491546697199164
Energy: 1.2126445616878814
Energy: 1.1491546697196022
Energy: 0.016431936278395374
Energy: 1.212644561687567
Energy: 0.016431936278395374
Energy: 1.2126445616881956
Energy: 0.016431936278395374
Energy: 1.2126445616878814
Energy: 1.212644561687567
Energy: 1.1491546697180657
Energy: 1.2126445616878814
Energy: 1.149154669720196
Energy: 1.2126445616878814
Energy: 1.1491546697192878

minimum gb energy = 0.01643193627808109 eV
minimum distance =  2.39314570045729 Angstroms
sigma value = 1


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

Energy: 1.1932207010188167
Energy: 1.0226971492923984
Energy: 1.1932207010195732
Energy: 1.0226971492923984
Energy: 1.19322070101806
Energy: 1.0226971492939112
Energy: 1.3583635038905126
Energy: 0.9243961397108801
Energy: 1.3583635038920259
Energy: 0.9243961397108801
Energy: 1.3583635038927824
Energy: 0.9243961397093671
Energy: 1.1287922406090976
Energy: 1.0782658098570657
Energy: 1.1287922406090976
Energy: 1.078265809693725
Energy: 1.1287922406083413
Energy: 1.0782658095009485
Energy: 1.209293451368971
Energy: 1.002006879429168
Energy: 1.2092934513682145
Energy: 1.0020068794284118
Energy: 1.2092934513667015
Energy: 1.0020068794284118
Energy: 1.0784683611656931
Energy: 1.1379543494662243
Energy: 1.0784683611649366
Energy: 1.1379543494654678
Energy: 1.0784683611649366
Energy: 1.1379543494662243
Energy: 1.1134095975591793
Energy: 0.9918552857555207
Energy: 1.113409597557666
Energy: 0.9918552857555207
Energy: 1.1134095975584228
Energy: 0.9918552857555207
Energy: 1.003697159167748
Energy: 1.1441569726954295
Energy: 1.0036971590278596
Energy: 1.144156972684838
Energy: 1.003697158629377
Energy: 1.1441569726681944
Energy: 1.0042030608209396
Energy: 1.2396278683785642
Energy: 1.004203060821696
Energy: 1.2396278683747814
Energy: 1.0042030608224526
Energy: 1.2396278683747814
Energy: 1.1382049888879435
Energy: 1.1452177097162468
Energy: 1.1382049888887
Energy: 1.145217709718516
Energy: 1.1382049888894565
Energy: 1.145217709718516
Energy: 0.9215964074550885
Energy: 1.224401199756208
Energy: 0.9215964074550885
Energy: -0.23184963004400688
Energy: 0.9215964074550885
Energy: 0.6379688343314767
Energy: 1.0362939349657796
Energy: 0.9908109373720932
Energy: 1.0362939349657796
Energy: 0.9908109373698236
Energy: 1.0362939349657796
Energy: 0.9908109373705801
Energy: 0.8731202003900307
Energy: 1.149285414003074
Energy: 0.8731202003900307
Energy: 1.149285020958405
Energy: 0.8731202003900307
Energy: 1.14928436983162
Energy: 1.2336212905614707
Energy: 0.8604534200242479
Energy: 1.2336212905622272
Energy: 0.8604534200242479
Energy: 1.2336212905622272
Energy: 0.8604534200242479
Energy: 1.003639038261366
Energy: 1.0850722906049148
Energy: 1.003639038261366
Energy: 1.0850722880520542
Energy: 1.003639038261366
Energy: 1.0850722838869002
Energy: 1.2973338559668357
Energy: 0.9256975998175181
Energy: 1.2973338557792862
Energy: 0.9256975998175181
Energy: 1.297333855113131
Energy: 0.9256975998182747
Energy: 1.3226619383110043
Energy: 1.132662962078248
Energy: 1.3226619383110043
Energy: 1.132662962078248
Energy: 1.322661938310248
Energy: 1.132662962078248
Energy: 1.1293740034116353
Energy: 1.0832284742230445
Energy: 1.129374003410879
Energy: 1.083228474225314
Energy: 1.1293740034116353
Energy: 1.083228474225314
Energy: 1.128439578887036
Energy: 1.0249262375426076
Energy: 1.128439578887036
Energy: 1.0249262375418513
Energy: 1.1284395788741752
Energy: 1.0249262375433643
Energy: 1.01197103372546
Energy: 1.0024029323963684
Energy: 1.0119710337277295
Energy: 1.0024029319282852
Energy: 1.011971033726973
Energy: 1.002402931186478
Energy: 1.100078861409049
Energy: 0.991490293968184
Energy: 1.1000788614113184
Energy: 0.991490293968184
Energy: 1.1000788614075359
Energy: 0.991490293968184
Energy: 0.9411965289159616
Energy: 1.215618056853449
Energy: 0.9411965289159616
Energy: 1.2156180568542057
Energy: 0.9411965289159616
Energy: 1.2156180568451271
Energy: 1.139782638865173
Energy: 1.1458243846125349
Energy: 1.139782638865173
Energy: 1.1458243846125349
Energy: 1.139782638865173
Energy: 1.1458243846110219
Energy: 0.9054539464427863
Energy: 1.4274901527372343
Energy: 0.9054539464420297
Energy: 1.4274901527387474
Energy: 0.9054539464442992
Energy: 1.4274901527387474

minimum gb energy = -0.23184963004400688 eV
minimum distance =  2.33629596695555 Angstroms
sigma value = 33


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

Energy: 1.2236159534763464
Energy: 1.2161458981993003
Energy: 1.2236159534767763
Energy: 1.216145898200161
Energy: 1.2236159534772069
Energy: 1.2161458981997308
Energy: 1.2555312903789726
Energy: 1.0381175650528083
Energy: 1.2555312903514328
Energy: 1.038117565052378
Energy: 1.2555312903290567
Energy: 1.038117565053669
Energy: 0.8747963198955186
Energy: 1.0371391294207464
Energy: 0.8747963198985309
Energy: 1.0371391294224677
Energy: 0.8747963198985309
Energy: 1.0371391294276315
Energy: 1.0967046586131526
Energy: 1.0965570452697824
Energy: 1.0967046586131526
Energy: 1.0965564865194748
Energy: 1.096704658614013
Energy: 1.0965555979324024
Energy: 1.0393377859233326
Energy: 1.0948175824772086
Energy: 1.0393377859229025
Energy: 1.0948175824802204
Energy: 1.0393377859229025
Energy: 1.0948175824677415
Energy: 1.036622044927071
Energy: 0.874803597276817
Energy: 0.8098838857730567
Energy: 0.8748035972759565
Energy: 0.809713729452671
Energy: 0.874803597276817
Energy: 1.2193251036999344
Energy: 1.1983495192679925
Energy: 1.2193251035562502
Energy: 1.1983495192688531
Energy: 1.2193251030422656
Energy: 1.198349519270144
Energy: 0.8654393535405658
Energy: 1.1925683844409338
Energy: 0.8654393535379841
Energy: 1.1925683844331885
Energy: 0.8654393535384143
Energy: 1.192568384437061
Energy: 1.0853250090975552
Energy: 0.878685004462828
Energy: 1.085325009094543
Energy: 0.878685004462828
Energy: 1.0853250090954034
Energy: 0.878685004462828
Energy: 0.8371407683933846
Energy: 1.1149089554694704
Energy: 0.8371407683916634
Energy: 1.1148510478683933
Energy: 0.8371407683925238
Energy: 0.7362427120209868
Energy: 1.1156505888778272
Energy: 0.8407561291575945
Energy: 1.1156505091391473
Energy: 0.8407561291571641
Energy: 1.1156502444269092
Energy: 0.8407561291575945
Energy: 0.8756038060116438
Energy: 0.9288033587590757
Energy: 0.8756038060112135
Energy: 0.9288033587586453
Energy: 0.8756038060116438
Energy: 0.9288033587577849
Energy: 1.248448555602093
Energy: 0.8629181683231648
Energy: 1.2484485551134576
Energy: 0.8629181683231648
Energy: 1.2484485530794263
Energy: 0.8629181683227345
Energy: 1.193205603553144
Energy: 1.2186551993110248
Energy: 1.1932056035522836
Energy: 1.218655194283373
Energy: 1.1932056035518532
Energy: 1.218655186240194
Energy: 1.060641795620882
Energy: 1.0377427892618627
Energy: 1.0606417956165792
Energy: 1.0377427892640143
Energy: 1.0606417955972152
Energy: 1.0377427892631537
Energy: 0.8747579319647069
Energy: 1.0370134747004651
Energy: 0.8747579319638463
Energy: 1.0370134747021866
Energy: 0.8747579319638463
Energy: 1.0370134747021866
Energy: 1.0979689092964158
Energy: 1.0984516523903674
Energy: 1.0979689090340445
Energy: 1.0984516523903674
Energy: 1.0979689080292732
Energy: 1.098451652389937
Energy: 1.0367571726628682
Energy: 0.8747529791158216
Energy: 1.0367571726607168
Energy: 0.8747529791158216
Energy: 1.0367571726615772
Energy: 0.8747529791162519
Energy: 1.0383382226556586
Energy: 1.0602648052692434
Energy: 1.0383382226543678
Energy: 1.0602648051875236
Energy: 1.0383382226526465
Energy: 1.0602648050593306
Energy: 1.2189185257035828
Energy: 1.1944657220060777
Energy: 1.2189185257018618
Energy: 1.1944657220060777
Energy: 1.2189185257027224
Energy: 1.1944657220056474
Energy: 0.8617959236389607
Energy: 1.2588343727361926
Energy: 0.8617959236393911
Energy: 1.2588343727361926
Energy: 0.8617959236393911
Energy: 1.258834372709983
Energy: 1.0860877748388555
Energy: 0.8786061072044792
Energy: 1.0860877748418676
Energy: 0.8786061072053397
Energy: 1.0860877748375646
Energy: 0.8786061072049096
Energy: 0.8374532946768909
Energy: 1.1145513550137924
Energy: 0.8374532946768909
Energy: 1.1145486345690274
Energy: 0.8374532946768909
Energy: 1.1145442880848822
Energy: 1.1178788631725343
Energy: 1.0384527415090097
Energy: 1.1178788631755463
Energy: 1.0384527415085791
Energy: 1.1178788631725343
Energy: 1.0384527415081488
Energy: 0.8747492119562298
Energy: 1.0878143759238301
Energy: 0.8747492119557995
Energy: 1.0878143759221088
Energy: 0.8747492119557995
Energy: 1.0878143759229695
Energy: 1.1922774783778647
Energy: 1.2238337427387205
Energy: 1.1922774783782948
Energy: 1.2238337427382904
Energy: 1.19227747837141
Energy: 1.2238337427382904
Energy: 1.19232998303531
Energy: 1.2238126620784142
Energy: 1.1923299830335887
Energy: 1.2238126620745413
Energy: 1.1923299830301461
Energy: 1.2238126620779841
Energy: 0.874816892706141
Energy: 1.0874838555261102
Energy: 0.874816892706141
Energy: 1.0874838555261102
Energy: 0.8748168927065714
Energy: 1.08748385552568
Energy: 1.1179087024173051
Energy: 1.0382669083937495
Energy: 1.1179087024134322
Energy: 1.0382669083933194
Energy: 1.117908702414293
Energy: 1.0382669083933194
Energy: 0.837232196941651
Energy: 1.1143394852115873
Energy: 0.837232196941651
Energy: 1.1143375626553622
Energy: 0.837232196941651
Energy: 1.1143343809160031
Energy: 1.0859816129873185
Energy: 0.8786135323231348
Energy: 1.0859816129847366
Energy: 0.8786135323235651
Energy: 1.0859816129808637
Energy: 0.8786135323235651
Energy: 0.8620132138329666
Energy: 1.2546135783886319
Energy: 0.8620132138329666
Energy: 1.2546120181702132
Energy: 0.8620132138329666
Energy: 1.254609632133972
Energy: 1.2190149132312296
Energy: 1.1943584866722265
Energy: 1.2190149132295085
Energy: 1.1943584866735175
Energy: 1.2190149132299386
Energy: 1.1943584866726566
Energy: 1.0392615340438724
Energy: 1.0606707857414353
Energy: 1.039261534044733
Energy: 1.0606707856885462
Energy: 1.0392615340425815
Energy: 1.060670785644655
Energy: 1.0369689211683646
Energy: 0.8746105936473383
Energy: 1.0369689211700859
Energy: 0.8746105936473383
Energy: 1.0369689211623794
Energy: 0.8746105936473383
Energy: 1.0970524906647008
Energy: 1.0982526429002695
Energy: 1.0970524883536674
Energy: 1.0982526428976878
Energy: 1.0970524808287763
Energy: 1.0982526428959665
Energy: 0.8747640058144973
Energy: 1.0370240424719113
Energy: 0.8747640058136367
Energy: 1.037024042468899
Energy: 0.874764005814067
Energy: 1.03702404247019
Energy: 1.0606118382429557
Energy: 1.03718432772372
Energy: 1.060611838214125
Energy: 1.03718432772372
Energy: 1.0606118382179979
Energy: 1.0371843277288837
Energy: 1.1931521645561414
Energy: 1.2187841895163878
Energy: 1.1931521645565717
Energy: 1.2187841866113718
Energy: 1.1931521645565717
Energy: 1.218784182292556
Energy: 1.2495404011144018
Energy: 0.8628787310430964
Energy: 1.2495404010804465
Energy: 0.8628787310430964
Energy: 1.2495404010069027
Energy: 0.8628787310439572
Energy: 0.8756073030872544
Energy: 0.9287841415653562
Energy: 0.8756073030872544
Energy: 0.9287841415662168
Energy: 0.8756073030872544
Energy: 0.928784141566647

minimum gb energy = 0.7362427120209868 eV
minimum distance =  2.37549528595444 Angstroms
sigma value = 51


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

Energy: 1.137166197178891
Energy: 1.119098213983694
Energy: 1.137166197178891
Energy: 1.1190982139846912
Energy: 1.137166197177894
Energy: 1.1190982139846912
Energy: 1.2357271935658705
Energy: 1.0026255952577023
Energy: 1.2357271935648735
Energy: 1.0026255952577023
Energy: 1.2357271935618825
Energy: 1.0026255952586993
Energy: 1.0682700364415854
Energy: 0.5880444975962772
Energy: 1.0682700364415854
Energy: 0.5888099026016337
Energy: 1.0682700364405884
Energy: 1.0573733519563544
Energy: 1.0773508484068985
Energy: 0.8879442980641062
Energy: 1.0773508484078955
Energy: 0.8879442980641062
Energy: 1.0773508484068985
Energy: 0.8879442980651033
Energy: 1.1138857755392269
Energy: 1.0866485697358108
Energy: 1.1138857755382299
Energy: 1.0866485697358108
Energy: 1.1138857755392269
Energy: 1.086648569736808
Energy: 1.1427750372912369
Energy: 1.0866170304072522
Energy: 1.142775037292234
Energy: 1.0866170304062552
Energy: 1.142775037292234
Energy: 1.0866170304062552
Energy: 1.0321541493504542
Energy: 1.0938258515134267
Energy: 1.0321477595720863
Energy: 1.0938258515134267
Energy: 0.5821023505114988
Energy: 1.0938258515134267
Energy: 0.9896668160888953
Energy: 1.0868016489745682
Energy: 0.9896668160888953
Energy: 1.0868016489735712
Energy: 0.9896668160898923
Energy: 1.0868016489725743
Energy: 1.2558302358215447
Energy: 0.8836890378514451
Energy: 1.2558302357886886
Energy: 0.8836890378514451
Energy: 1.2558302358035984
Energy: 0.8836890378514451
Energy: 0.9200463807100364
Energy: 1.276505895211617
Energy: 0.9200463807100364
Energy: 1.276505895212614
Energy: 0.9200463807100364
Energy: 1.276505895213611
Energy: 1.2532224724341325
Energy: 0.8910968907766955
Energy: 1.2532224697204266
Energy: 0.8910968907776926
Energy: 1.2532224603007667
Energy: 0.8910968907776926
Energy: 1.1266903850146592
Energy: 1.1205424072490393
Energy: 1.1266903850136623
Energy: 1.120542407241063
Energy: 1.1266903850146592
Energy: 1.12054240723209
Energy: 1.3250363010791195
Energy: 1.0029814001125597
Energy: 1.3250363010761286
Energy: 1.0029814001125597
Energy: 1.3250363010791195
Energy: 1.0029814001125597
Energy: 1.063251759191295
Energy: 1.0185167432105622
Energy: 1.063251759191295
Energy: 1.0185167432115594
Energy: 1.063251759191295
Energy: 1.0185167432125564
Energy: 1.083330565864333
Energy: 1.1196887632354353
Energy: 1.083330565864333
Energy: 1.1196887632364323
Energy: 1.083330565863336
Energy: 1.1196887632354353
Energy: 1.1389049247106984
Energy: 1.086735185212607
Energy: 1.1389049247097014
Energy: 1.086735185213604
Energy: 1.1389049247097014
Energy: 1.086735185212607
Energy: 1.1144073327919506
Energy: 1.2096780120277684
Energy: 1.1144073327919506
Energy: 1.2096780120267712
Energy: 1.1144073327929476
Energy: 1.209678012024777
Energy: 1.033219762853312
Energy: 1.0880309087464268
Energy: 1.0332197628523148
Energy: 1.0880309087454296
Energy: 1.033219762853312
Energy: 1.0880309087454296

minimum gb energy = 0.5821023505114988 eV
minimum distance =  2.30598836198507 Angstroms
sigma value = 19


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

Energy: 0.8690654123109477
Energy: 0.8488167387704966
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.9485153271728841
Energy: 1.1320065745776486
Energy: 0.9485153271728841
Energy: 1.13200657457824
Energy: 0.9485153271722927
Energy: 1.1320065745776486
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.129228395225153
Energy: 0.9089915093161289
Energy: 0.8034885022568234
Energy: 0.9089915093161289
Energy: 0.803488502256232
Energy: 0.9089915093161289
Energy: 0.8034885022568234
Energy: 0.8447546728467064
Energy: 0.8656060556832474
Energy: 0.8447546728467064
Energy: 0.8656060556832474
Energy: 0.8447546728467064
Energy: 0.865606055683839
Energy: 0.8448868941635204
Energy: 0.8655036375956735
Energy: 0.8448868941635204
Energy: 0.8655036375950821
Energy: 0.8448868941629288
Energy: 0.8655036375956735
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.9089703127937329
Energy: 0.8034825121958149
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.8032825308376148
Energy: 1.129221034231743
Energy: 0.8032825308382062
Energy: 1.1292210342323343
Energy: 0.8032825308376148
Energy: 1.129221034231743
Energy: 0.9489568485722719
Energy: 1.1319408177804118
Energy: 0.9489568485734547
Energy: 1.1319408177810033
Energy: 0.9489568485716804
Energy: 1.1319408177804118
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.9485153271740668
Energy: 1.1320065745770571
Energy: 0.9485153271722927
Energy: 1.13200657457824
Energy: 0.9485153271722927
Energy: 1.13200657457824
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.1292283952245616
Energy: 0.9089915093161289
Energy: 0.8034885022568234
Energy: 0.9089915093161289
Energy: 0.8034885022568234
Energy: 0.9089915093161289
Energy: 0.803488502256232
Energy: 0.8447546728467064
Energy: 0.865606055683839
Energy: 0.8447546728467064
Energy: 0.865606055683839
Energy: 0.8447546728467064
Energy: 0.865606055683839
Energy: 0.8448868941635204
Energy: 0.8655036375950821
Energy: 0.8448868941635204
Energy: 0.8655036375944906
Energy: 0.8448868941629288
Energy: 0.8655036375950821
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.9089703127937329
Energy: 0.8034825121958149
Energy: 0.8032825308382062
Energy: 1.1292210342329259
Energy: 0.8032825308376148
Energy: 1.1292210342323343
Energy: 0.8032825308376148
Energy: 1.1292210342329259
Energy: 0.9489568485722719
Energy: 1.1319408177798205
Energy: 0.9489568485716804
Energy: 1.1319408177810033
Energy: 0.9489568485728633
Energy: 1.1319408177798205
Energy: 0.8690654123109477
Energy: 0.8488167387704966
Energy: 0.8690654123109477
Energy: 0.8488167387704966
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.9485153271722927
Energy: 1.1320065745776486
Energy: 0.9485153271717013
Energy: 1.1320065745788315
Energy: 0.9485153271728841
Energy: 1.13200657457824
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.9089915093161289
Energy: 0.803488502256232
Energy: 0.9089915093161289
Energy: 0.803488502256232
Energy: 0.9089915093161289
Energy: 0.803488502256232
Energy: 0.8447546728467064
Energy: 0.865606055683839
Energy: 0.8447546728472977
Energy: 0.865606055683839
Energy: 0.8447546728467064
Energy: 0.865606055683839
Energy: 0.8448868941635204
Energy: 0.8655036375950821
Energy: 0.8448868941641117
Energy: 0.8655036375956735
Energy: 0.8448868941635204
Energy: 0.8655036375950821
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.9089703127943243
Energy: 0.8034825121958149
Energy: 0.8032825308382062
Energy: 1.1292210342323343
Energy: 0.8032825308376148
Energy: 1.1292210342323343
Energy: 0.8032825308382062
Energy: 1.1292210342329259
Energy: 0.9489568485716804
Energy: 1.1319408177804118
Energy: 0.9489568485740459
Energy: 1.1319408177810033
Energy: 0.9489568485722719
Energy: 1.1319408177798205
Energy: 0.8690654123109477
Energy: 0.8488167387704966
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.8690654123109477
Energy: 0.8488167387699052
Energy: 0.9485153271734756
Energy: 1.1320065745770571
Energy: 0.9485153271734756
Energy: 1.13200657457824
Energy: 0.9485153271717013
Energy: 1.13200657457824
Energy: 0.8032801502034295
Energy: 1.1292283952257445
Energy: 0.803280150202838
Energy: 1.1292283952257445
Energy: 0.8032801502034295
Energy: 1.1292283952257445

minimum gb energy = 0.803280150202838 eV
minimum distance =  2.32057259423775 Angstroms
sigma value = 27


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

Energy: 0.8482483491781299
Energy: 0.8114592398393057
Energy: 0.8482483491781299
Energy: 0.8114592398393057
Energy: 0.8482483491781299
Energy: 0.8114592398393057
Energy: 0.9235883132204926
Energy: 0.83442897285969
Energy: 0.923588313219044
Energy: 0.8344289728611387
Energy: 0.923588313219044
Energy: 0.8344289728611387
Energy: 0.8326228291739127
Energy: 0.9545166770227247
Energy: 0.909496864630046
Energy: 0.9545166770227247
Energy: 0.8326228292188204
Energy: 0.9545166770227247
Energy: 1.0033455943632474
Energy: 0.7887098486477753
Energy: 1.0033455664777964
Energy: 0.7887098486463265
Energy: 1.0033454943996003
Energy: 0.7887098486463265
Energy: 1.0026788657719716
Energy: 0.7886415802425509
Energy: 1.0026788657719716
Energy: 0.7886415802425509
Energy: 1.0026788657719716
Energy: 0.7886415802425509
Energy: 1.0210880961476492
Energy: 1.0763627360586785
Energy: 1.021088096149098
Energy: 1.0763627360528838
Energy: 1.021088096149098
Energy: 1.0763627360543326
Energy: 0.9522296373394704
Energy: 0.8374828485981711
Energy: 0.789424264728322
Energy: 0.8374828485981711
Energy: 0.9522296373394704
Energy: 0.8374828485981711
Energy: 0.8405112428020313
Energy: 0.8138829777978999
Energy: 0.8405112428020313
Energy: 0.8138829777978999
Energy: 0.8405112428020313
Energy: 0.8138829777978999
Energy: 1.0038070182818852
Energy: 0.8321595357915675
Energy: 1.0038070182181782
Energy: 0.8321595386137078
Energy: 1.0038070180473049
Energy: 0.8321595350415034
Energy: 0.9902255936869576
Energy: 1.0263448003816555
Energy: 0.9902255936869576
Energy: 1.026344800375861
Energy: 0.990225593685509
Energy: 1.0263448003686177
Energy: 0.8138126185564634
Energy: 0.7903613043368507
Energy: 0.9194040535476811
Energy: 0.7903613043368507
Energy: 0.9194040535476811
Energy: 0.7903613043368507
Energy: 1.1187501623306384
Energy: 0.983659544052811
Energy: 1.1187501623306384
Energy: 0.9836595440354273
Energy: 1.1187501623306384
Energy: 0.9836595440006601

minimum gb energy = 0.7886415802425509 eV
minimum distance =  2.29577389213374 Angstroms
sigma value = 9


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

Energy: 0.9430409286408434
Energy: 0.7362259570034486
Energy: 0.9430409286388085
Energy: 0.7362259570030416
Energy: 0.9430409286384013
Energy: 0.7362259570050766
Energy: 0.8172392155846538
Energy: 0.813230607406504
Energy: 0.8172392153051342
Energy: 0.7619936364913256
Energy: 0.8172392141338084
Energy: 0.7619936364905116
Energy: 0.7109185418001586
Energy: 0.8247408879997062
Energy: 0.7109185418005656
Energy: 0.8247408879891235
Energy: 0.7109185417973093
Energy: 0.8247408879785407
Energy: 0.7626525126490709
Energy: 0.7282163768586956
Energy: 0.7626525126478497
Energy: 0.7282163768599166
Energy: 0.7626525126482568
Energy: 0.7282163768599166
Energy: 0.8166109062387381
Energy: 0.7803378442707642
Energy: 0.8166109062383312
Energy: 0.7803378442707642
Energy: 0.8166109062383312
Energy: 0.7803378442707642
Energy: 0.8494013611838496
Energy: 0.9136613401426841
Energy: 0.8494013609775957
Energy: 0.8756822393002596
Energy: 0.8494013602655865
Energy: 0.8355648029417709
Energy: 0.8173649571140332
Energy: 0.8365976584739576
Energy: 0.8173649570359202
Energy: 0.8365976584747719
Energy: 0.817364956661229
Energy: 0.8365976584739576
Energy: 0.7099142418344567
Energy: 0.8188558472278552
Energy: 0.7099142418344567
Energy: 0.8188558472038403
Energy: 0.7099142418344567
Energy: 0.8188558472266342
Energy: 0.7860210067044577
Energy: 0.7815067118137276
Energy: 0.7860209123659047
Energy: 0.7815067118145416
Energy: 0.7860206383498606
Energy: 0.7815067118141346
Energy: 0.7837577320919261
Energy: 0.9097461667651909
Energy: 0.7837577310300179
Energy: 0.6626500264076856
Energy: 0.7837577279127482
Energy: 0.6629766857378621
Energy: 0.759992927117898
Energy: 0.7369493080590687
Energy: 0.7599929271199333
Energy: 0.7369493080590687
Energy: 0.759992927117084
Energy: 0.7369493080590687
Energy: 0.751634771585362
Energy: 0.8235021407998795
Energy: 0.751634771584955
Energy: 0.8235021407257999
Energy: 0.751634771585362
Energy: 0.8235021405077421
Energy: 0.31058640574067164
Energy: 0.8108721734343889
Energy: 0.4458656225268858
Energy: 0.8108721734205497
Energy: 0.4450760820541193
Energy: 0.8108721733489491
Energy: 0.9279456250356931
Energy: 0.8060903861156455
Energy: 0.9279456249351932
Energy: 0.8060903861156455
Energy: 0.9279456246674775
Energy: 0.8060903861127962
Energy: 0.7341140957017805
Energy: 0.8015600131409278
Energy: 0.7341140957021876
Energy: 0.8015600131401137
Energy: 0.7341140957030016
Energy: 0.8015600131409278
Energy: 0.876777694377232
Energy: 0.9096861474527101
Energy: 0.8767751485573352
Energy: 0.9096861473526543
Energy: 0.6426579847735081
Energy: 0.9096861472350593
Energy: 0.9677972222512807
Energy: 0.7292165933223057
Energy: 0.9677972222516877
Energy: 0.7292165933198634
Energy: 0.9677972222525018
Energy: 0.7292165933223057
Energy: 0.7502878723293211
Energy: 0.7431236076430091
Energy: 0.7502878723276931
Energy: 0.7431236076430091
Energy: 0.7502878723285071
Energy: 0.7431236076430091
Energy: 0.7121529760468457
Energy: 0.9742504825695442
Energy: 0.7121529760468457
Energy: 0.9742504825683231
Energy: 0.7121529760464387
Energy: 0.9742504825654739
Energy: 0.9053835664063816
Energy: 0.7169215699839773
Energy: 0.9053835664063816
Energy: 0.7169215699847914
Energy: 0.9053835664051605
Energy: 0.7169215699827562
Energy: 0.7121646678857426
Energy: 0.9741660349160365
Energy: 0.7121646678857426
Energy: 0.9741660349164435
Energy: 0.7121646678853356
Energy: 0.9741660349172576
Energy: 0.7505548135915474
Energy: 0.7440038488119923
Energy: 0.7505548135927685
Energy: 0.7440038488115853
Energy: 0.7505548135915474
Energy: 0.7440038488115853
Energy: 0.9679134597072182
Energy: 0.7291205605358488
Energy: 0.9679134597084392
Energy: 0.7291205605362558
Energy: 0.9679134597068111
Energy: 0.7291205605342207
Energy: 0.8767307658472155
Energy: 0.8187573019576074
Energy: 0.8766308896475212
Energy: 0.8187573018070797
Energy: 0.6425818633601804
Energy: 0.8187573014685775
Energy: 0.734009958404766
Energy: 0.8015059949262501
Energy: 0.7340099584039519
Energy: 0.801505994927064
Energy: 0.7340099584039519
Energy: 0.801505994927471
Energy: 0.9281423115910857
Energy: 0.8061136208771359
Energy: 0.9281423115251837
Energy: 0.8061136208767289
Energy: 0.9281423113844248
Energy: 0.8061136208783569
Energy: 0.3297820106905804
Energy: 0.8108322573011802
Energy: 0.44506214681081174
Energy: 0.810832257247082
Energy: 0.45682274829700625
Energy: 0.8108322571388484
Energy: 0.7513928203762481
Energy: 0.7303530726106431
Energy: 0.7513928203762481
Energy: 0.7303530725662767
Energy: 0.7513928203762481
Energy: 0.7303530724572292
Energy: 0.7600322741900667
Energy: 0.7370406004551242
Energy: 0.7600322741912878
Energy: 0.7370406004559383
Energy: 0.760032274192509
Energy: 0.7370406004555313
Energy: 0.7837268671989782
Energy: 0.6227234253232962
Energy: 0.7837268663071721
Energy: 0.6231908173411138
Energy: 0.7837268632822246
Energy: 0.6230238878917622
Energy: 0.7854264613503126
Energy: 0.7815160839124441
Energy: 0.7854257189358309
Energy: 0.7815160839128511
Energy: 0.7854235922068658
Energy: 0.78151608391163
Energy: 0.709947925114165
Energy: 0.8190413765536857
Energy: 0.709947925114165
Energy: 0.8190413765524645
Energy: 0.709947925114165
Energy: 0.8190413765536857
Energy: 0.8173097566307075
Energy: 0.8368116440970872
Energy: 0.8173097563337225
Energy: 0.8368116440966802
Energy: 0.8173097554833966
Energy: 0.8368116440974944
Energy: 0.8493996814957108
Energy: 0.9028050612152125
Energy: 0.8493996812743596
Energy: 0.9027820653846457
Energy: 0.8493996806811667
Energy: 0.9027390820664202
Energy: 0.8164681710162274
Energy: 0.7816665391743902
Energy: 0.8164681710145993
Energy: 0.7816665391756114
Energy: 0.8164681710145993
Energy: 0.7816665391756114
Energy: 0.76204691586648
Energy: 0.7281917246732584
Energy: 0.76204691586648
Energy: 0.7281917246724444
Energy: 0.7620469158652587
Energy: 0.7281917246720374
Energy: 0.7105131529235207
Energy: 0.8248341551069169
Energy: 0.7105131529235207
Energy: 0.8248341551073239
Energy: 0.7105131529218925
Energy: 0.8248341551052888
Energy: 0.8186521308435667
Energy: 0.761657845126828
Energy: 0.8186521308158884
Energy: 0.7616430064846569
Energy: 0.8186521307353332
Energy: 0.7616234188557262
Energy: 0.9430409286388085
Energy: 0.7362259570014134
Energy: 0.9430409286371803
Energy: 0.7362259570018205
Energy: 0.9430409286371803
Energy: 0.7362259570026345
Energy: 0.8172392155728498
Energy: 0.724205343053476
Energy: 0.8172392153010639
Energy: 0.7242053430530689
Energy: 0.8172392140821525
Energy: 0.724205343053476
Energy: 0.7109185418001586
Energy: 0.8247408879907516
Energy: 0.7109185418005656
Energy: 0.824740887996857
Energy: 0.7109185417981234
Energy: 0.8247408879874952
Energy: 0.7626525126478497
Energy: 0.7282163768591027
Energy: 0.7626525126474427
Energy: 0.7282163768607307
Energy: 0.7626525126470357
Energy: 0.7282163768607307
Energy: 0.8166109062379242
Energy: 0.7803378442715783
Energy: 0.8166109062379242
Energy: 0.7803378442711713
Energy: 0.8166109062379242
Energy: 0.7803378442711713

minimum gb energy = 0.31058640574067164 eV
minimum distance =  2.35254783699788 Angstroms
sigma value = 57


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

Energy: 0.3891381147416859
Energy: 0.39631949309993736
Energy: 0.3891381147416859
Energy: 0.39631949309993736
Energy: 0.3891381147416859
Energy: 0.39631949309993736
Energy: 0.47033468376137416
Energy: 0.3900818306873514
Energy: 0.4703346837604476
Energy: 0.3900818306873514
Energy: 0.47033468376230075
Energy: 0.3900818306873514
Energy: 0.4289557523558374
Energy: 0.4671955289179988
Energy: 0.42895575235491074
Energy: 0.4671955289179988
Energy: 0.42895575235491074
Energy: 0.4671955289179988
Energy: 0.3986454142518494
Energy: 0.38915276346986777
Energy: 0.3986454142518494
Energy: 0.3891527634689412
Energy: 0.3986454142518494
Energy: 0.3891527634689412
Energy: 0.4697359776749721
Energy: 0.4786592178829278
Energy: 0.4697359776749721
Energy: 0.4786592178829278
Energy: 0.4697359776740456
Energy: 0.4786592178829278
Energy: 0.3891581882593305
Energy: 0.4312470127965092
Energy: 0.3891581882593305
Energy: 0.4312470127955827
Energy: 0.3891581882593305
Energy: 0.4312470127955827
Energy: 0.3891793395252171
Energy: 0.43132416465983586
Energy: 0.3891793395252171
Energy: 0.4313241646607624
Energy: 0.3891793395252171
Energy: 0.43132416465983586
Energy: 0.4697498262114093
Energy: 0.4785965951405827
Energy: 0.4697498262123358
Energy: 0.4785965951405827
Energy: 0.4697498262114093
Energy: 0.4785965951396563
Energy: 0.39862351954805575
Energy: 0.38913938443601065
Energy: 0.39862351954712927
Energy: 0.38913938443601065
Energy: 0.39862351954712927
Energy: 0.38913938443508406
Energy: 0.43183076628010886
Energy: 0.4669764128075673
Energy: 0.43183076628010886
Energy: 0.4669764128084939
Energy: 0.43183076627918227
Energy: 0.4669764128084939
Energy: 0.4706319398571627
Energy: 0.39008457606513747
Energy: 0.4706319398590158
Energy: 0.3900845760669906
Energy: 0.47063193985808927
Energy: 0.39008457606606406
Energy: 0.3891381147416859
Energy: 0.39631949309993736
Energy: 0.3891381147416859
Energy: 0.39631949309993736
Energy: 0.3891381147416859
Energy: 0.39631949310086395
Energy: 0.47033468376137416
Energy: 0.3900818306864249
Energy: 0.47033468376137416
Energy: 0.3900818306864249
Energy: 0.47033468376137416
Energy: 0.3900818306873514
Energy: 0.4289557523558374
Energy: 0.4671955289161457
Energy: 0.4289557523558374
Energy: 0.46719552891707217
Energy: 0.42895575235491074
Energy: 0.46719552891707217
Energy: 0.398645414252776
Energy: 0.38915276346986777
Energy: 0.398645414252776
Energy: 0.38915276346986777
Energy: 0.3986454142518494
Energy: 0.38915276346986777
Energy: 0.4697359776749721
Energy: 0.4786592178820013
Energy: 0.4697359776749721
Energy: 0.4786592178829278
Energy: 0.4697359776749721
Energy: 0.4786592178820013
Energy: 0.3891581882593305
Energy: 0.4312470127955827
Energy: 0.3891581882593305
Energy: 0.4312470127955827
Energy: 0.3891581882593305
Energy: 0.4312470127965092
Energy: 0.3891793395252171
Energy: 0.43132416465983586
Energy: 0.3891793395242905
Energy: 0.43132416465890927
Energy: 0.3891793395242905
Energy: 0.43132416465890927
Energy: 0.4697498262123358
Energy: 0.4785965951405827
Energy: 0.4697498262114093
Energy: 0.4785965951405827
Energy: 0.4697498262114093
Energy: 0.4785965951405827

minimum gb energy = 0.3891381147416859 eV
minimum distance =  2.44664099160538 Angstroms
sigma value = 11


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

Energy: 0.5864264617868322
Energy: 0.769745429468179
Energy: 0.5864264617854749
Energy: 0.7697454294688577
Energy: 0.5864264617868322
Energy: 0.769745429468179
Energy: 0.772267287577004
Energy: 0.7346536419985776
Energy: 0.7722672875783615
Energy: 0.7346536419972202
Energy: 0.7722672875783615
Energy: 0.7346536419992564
Energy: 0.8204067641534016
Energy: 1.1798139871861724
Energy: 0.8204067641540803
Energy: 1.1798139871854938
Energy: 0.8204067641540803
Energy: 1.1798139871854938
Energy: 0.8102113502435471
Energy: 0.09193832429763368
Energy: 0.8102113502387961
Energy: 0.0861901195488363
Energy: 0.8102113502455833
Energy: 0.08616851176866813
Energy: 0.7582006619237666
Energy: 0.5281844418727016
Energy: 0.7582006619237666
Energy: 0.5281844418727016
Energy: 0.7582006619237666
Energy: 0.528184441872023
Energy: 0.6552338050799065
Energy: 0.8074894492106611
Energy: 0.6552338050805852
Energy: 0.8074894492093039
Energy: 0.6552338050799065
Energy: 0.8074894492140549
Energy: 0.07416981139199046
Energy: 0.9968325927270183
Energy: -0.31696876654343714
Energy: 0.9968325927263394
Energy: -0.18985715012633583
Energy: 0.996832592724982
Energy: 0.8393967362412006
Energy: -0.3845296946639879
Energy: 0.8393967362418793
Energy: 0.11287314438416952
Energy: 0.8393967362412006
Energy: -0.35511474288559736
Energy: 0.7762729577525351
Energy: -0.38453367224416146
Energy: 0.7762729577532138
Energy: -0.23950246539583592
Energy: 0.7762729577511776
Energy: -0.1770196492565851
Energy: 0.08559497373390855
Energy: 1.0234640611093515
Energy: 0.08530713961379197
Energy: 1.0234640611093515
Energy: 0.08509342751131906
Energy: 1.0234640611086727
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Energy: 0.38457270533799975
Energy: 0.20284938024172108
Energy: 0.31062627197296355
Energy: 0.21081989568486237
Energy: 0.34498477597611577
Energy: 0.27815534757663973
Energy: 0.7764244946684769
Energy: 0.6412064772797068
Energy: 0.7764244946684769
Energy: 0.6412064772790281
Energy: 0.7764244946684769
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Energy: 0.08593102114333147
Energy: 1.022513448947053
Energy: 0.0857895922582778
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Energy: 0.08504613430938736
Energy: 1.0225134489450167
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Energy: 0.8664697967522732
Energy: 1.2022894893060159
Energy: 0.8664697967536306
Energy: 1.2022894893066947
Energy: 0.8664697967515943

minimum gb energy = -0.6651311599389887 eV
minimum distance =  2.3574788735875 Angstroms
sigma value = 41


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

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Energy: 0.5957242036915964
Energy: 0.6658093696194854
Energy: 0.5957242036926662
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Energy: 0.3990086007117673
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Energy: -0.7461725144881023
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Energy: 0.7765308361214163
Energy: 0.5818786630236844
Energy: 0.7765308361224861
Energy: 0.5818786630231495
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Energy: 0.4741928719521607
Energy: 0.9089913524257212
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Energy: 0.9089913524257212
Energy: 0.4741785486478734
Energy: 0.9089913524257212
Energy: 0.9849653548403342
Energy: 0.8953162444598807
Energy: 0.9849653548296353
Energy: -0.24960753809652425
Energy: 0.9849653547980736
Energy: -0.24999226315095932
Energy: -0.2435373867806124
Energy: -0.1775467297349355
Energy: -0.09707891047575364
Energy: 0.2919121335391266
Energy: -0.13972061737737726
Energy: 0.28895849408009255
Energy: 0.5802624591822375
Energy: 0.614745493291365
Energy: 0.5802624591833074
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Energy: 0.5802624591838423
Energy: 0.6147454932908301
Energy: 0.39913538372454826
Energy: 0.22581031561167067
Energy: 0.39913538285511807
Energy: 0.22614267120405546
Energy: 0.3991353778427875
Energy: 0.23103552927624774

minimum gb energy = -0.7468569907573479 eV
minimum distance =  2.31640452165525 Angstroms
sigma value = 33


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

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Energy: 0.589470077108889
Energy: 0.6707663408053292
Energy: 0.589470077108889
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Energy: -0.6237432531475702
Energy: -0.6210244227637508
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Energy: -0.6973071223218662
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Energy: -0.706454141542284
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Energy: 0.01519245758942144
Energy: 0.8733321594487466
Energy: 0.01697677613402905
Energy: 0.8733321594487466

minimum gb energy = -1.6374062965313456 eV
minimum distance =  2.38652213510368 Angstroms
sigma value = 67


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

Energy: 0.7175837962784543
Energy: 0.5995498915067445
Energy: 0.7175837962781977
Energy: 0.5995498915067445
Energy: 0.7175837962774562
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Energy: 0.5995498915067445
Energy: 0.7175837962774562
Energy: 0.5995498915067445
Energy: 0.7175837962774562
Energy: 0.5995498915067445
Energy: 0.16736280440779716
Energy: -0.1600452594746656
Energy: -0.3013582662422063
Energy: -0.16001244501497702
Energy: -0.30118144764595306
Energy: -0.16013250377682492
Energy: -0.14465355747373057
Energy: 0.7115231149833301
Energy: -0.17400501360434323
Energy: 0.7115231149833301
Energy: -0.16988135618347355
Energy: 0.7115231149833301

minimum gb energy = -0.3079375913897882 eV
minimum distance =  2.39012779432808 Angstroms
sigma value = 3


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

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Energy: -0.5848393961439858
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Energy: -0.9306518450562343
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Energy: -1.9787696788894271
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Energy: -2.102660285342988
Energy: -0.38532464781596093
Energy: -2.202736219232019
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Energy: -2.270931142241846
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Energy: -1.657899167908788
Energy: -2.1351466502572727
Energy: -1.6764646761724387
Energy: -2.1692576472296987

minimum gb energy = -2.4949083804361174 eV
minimum distance =  2.33966651076772 Angstroms
sigma value = 81


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

Energy: 0.8066225272610946
Energy: 0.7683194223972678
Energy: 0.7317661093242197
Energy: 0.7683194223963304
Energy: 0.8066225272610946
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Energy: -1.2040750334830415
Energy: -1.3034880692200908
Energy: -1.4066331893765576
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Energy: -1.5817183307454425
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Energy: -1.617563582242316
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Energy: -1.6045132294963842
Energy: 0.6685927625944698
Energy: -1.6404911545832126

minimum gb energy = -1.648209824141645 eV
minimum distance =  2.36854863364695 Angstroms
sigma value = 43


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

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Energy: 0.02186416915905903
Energy: 0.9144713526659094
Energy: 0.021231166179959866
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Energy: 0.7900259282245975
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Energy: -0.45119409119952386
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Energy: -0.37338970647525127
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Energy: -0.5633068548876767
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Energy: -0.47981313111579993
Energy: -0.1307361115040381
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Energy: 0.7467806111157698
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Energy: -0.006073171647886697
Energy: -0.9760938155824612
Energy: -0.0014019024029415642
Energy: -1.0073023445939109
Energy: -0.004689361024222335
Energy: -0.8130410862467515

minimum gb energy = -1.1629961708393153 eV
minimum distance =  2.35202278361978 Angstroms
sigma value = 57


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

Energy: 0.0046412113872357766
Energy: -0.01174525457252274
Energy: 0.008482230219688853
Energy: -0.011745672684802012
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Energy: 0.2515330059306695
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Energy: 0.4324675154168988
Energy: 0.0287958469982402
Energy: 0.43246035812368255
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Energy: 0.25148294316817343
Energy: 0.7156997648531364
Energy: 0.2516593163501744
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Energy: 0.2533738060141286
Energy: -1.6720986965759699
Energy: -0.37244478523248936
Energy: -1.6992094702830636
Energy: -0.370837203314693
Energy: -1.6936804288199114
Energy: -0.3632041813350997
Energy: 0.09452481054821874
Energy: -0.020982563671922257
Energy: 0.09563639600049326
Energy: -0.02098615053797124
Energy: 0.09726215869441728
Energy: -0.020991774219183267
Energy: 0.42035386793484275
Energy: -0.2964970453023714
Energy: 0.4203539232232386
Energy: -0.2956256646929006
Energy: 0.4203539242394107
Energy: -0.29536669552634703
Energy: 0.7071421109549981
Energy: 0.62734535610236
Energy: 0.7071421109438184
Energy: 0.62734535610236
Energy: 0.707142110952017
Energy: 0.62734535610236
Energy: -0.2957781397994765
Energy: -0.05449740799585635
Energy: -0.3006042197189072
Energy: -0.058493705903368304
Energy: -0.3011232372932859
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Energy: -0.39081960832681056
Energy: -0.35217229471624556
Energy: -0.3836257481159768
Energy: -0.3520484465049817
Energy: -0.3841736815264778

minimum gb energy = -1.6992094702830636 eV
minimum distance =  2.34698921784987 Angstroms
sigma value = 17


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

Energy: 0.8098865282704152
Energy: 0.7159738798101738
Energy: 0.8098865282704152
Energy: 0.7159738798101738
Energy: 0.8098865282704152
Energy: 0.7159738798101738
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Energy: 0.5470756523256058
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Energy: 0.8018294640791882
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Energy: 0.7893730394517249
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Energy: 0.7893730394527789
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Energy: 0.6876242231660591
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Energy: 0.687624223165005
Energy: 0.56600008879123
Energy: 0.6876242231618429
Energy: 0.5660000887922841
Energy: 0.4636283878426732
Energy: 0.5089843524614103
Energy: 0.4636283878416191
Energy: 0.5091848808838709
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Energy: 0.5094703703287344
Energy: -1.1693636804193708
Energy: 0.5760941537683845
Energy: -1.2171542926442025
Energy: 0.5760941537694385
Energy: -1.0303409715449157
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Energy: 0.5789208993924333
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Energy: 0.3979206407697387
Energy: 0.5764388718253383
Energy: -1.1527612221136974
Energy: 0.5764388718253383
Energy: -0.9608829610801806
Energy: 0.5764388718253383
Energy: 0.46520675888996504
Energy: 0.749613484833936
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Energy: 0.46520675889207314
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Energy: 0.7200349702594263
Energy: 0.8256245602210688
Energy: 0.7200349702541563
Energy: 0.8256245602200147
Energy: 0.7200349702583723
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Energy: 0.5078587873318111
Energy: 0.6755876320299098
Energy: -1.1418678994459
Energy: 0.6755876320288557
Energy: -1.1045467700107268
Energy: 0.6755876320288557
Energy: -0.78440841530328
Energy: 0.7502397894792647
Energy: -0.92722405218778
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Energy: -0.7946035210909996
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Energy: -1.237311092611218
Energy: 0.7190480766761359
Energy: -1.2147128009482093
Energy: 0.7190480766761359
Energy: -1.1704911820840487

minimum gb energy = -1.237311092611218 eV
minimum distance =  2.34344445869795 Angstroms
sigma value = 17


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

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Energy: 0.6375599737265483
Energy: 0.7578648578035166
Energy: 0.6375599737265483
Energy: 0.7578648578063659
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Energy: 0.6777705495779399
Energy: 0.7110218252502934
Energy: 0.6777705495209555
Energy: 0.7110218252502934
Energy: 0.6777705493370512
Energy: 0.7110218252502934
Energy: 0.6373253446859726
Energy: 0.6278679409060168
Energy: 0.6373253446847514
Energy: 0.6278679409043887
Energy: 0.6373253446855655
Energy: 0.6278679409068308
Energy: 0.7578648578022956
Energy: 0.6375599737257341
Energy: 0.7578648578035166
Energy: 0.6375599737261413
Energy: 0.7578648578051449
Energy: 0.6375599737265483
Energy: 0.6368786777173323
Energy: 0.6263522937199449
Energy: 0.6368786777181463
Energy: 0.62635229372198
Energy: 0.6368786777169253
Energy: 0.626352293720352
Energy: 0.6781423971275662
Energy: 0.7109741661373883
Energy: 0.6781423971096568
Energy: 0.7109741661377953
Energy: 0.6781423970246242
Energy: 0.7109741661377953
Energy: 0.5816951551402296
Energy: 0.6728143688598593
Energy: 0.5816951551398226
Energy: 0.6728143502704694
Energy: 0.5816951551410438
Energy: 0.6728143242144928
Energy: 0.6304021193214526
Energy: 0.6040912786050537
Energy: 0.6304021193218597
Energy: 0.6040912786046467
Energy: 0.6304021193177894
Energy: 0.6040912786046467

minimum gb energy = -0.9023818238973217 eV
minimum distance =  2.3699202501051 Angstroms
sigma value = 57


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

Energy: 0.7209957618780545
Energy: 0.5529323825071859
Energy: 0.720995761876729
Energy: 0.5529323825078486
Energy: 0.7209957618760663
Energy: 0.5529323825078486
Energy: 0.6052499843006891
Energy: 0.6010850555040969
Energy: 0.6052499843026773
Energy: 0.6010850555027714
Energy: 0.6052499842980381
Energy: 0.6010850555034342
Energy: 0.6406274649751402
Energy: 0.6458652804533875
Energy: 0.6406274649764656
Energy: 0.6458652804527248
Energy: 0.6406274649758028
Energy: 0.6458652804533875
Energy: 0.5799621594576433
Energy: 0.6875452830828519
Energy: 0.5799621594576433
Energy: 0.6875452830835147
Energy: 0.5799621594569806
Energy: 0.6875452830841774
Energy: 0.6034458079845257
Energy: 0.5746199513137533
Energy: 0.6034458079957923
Energy: 0.5746199513144161
Energy: 0.6034458079838629
Energy: 0.5746199513130906
Energy: 0.6312237430373172
Energy: 0.596771527528402
Energy: 0.6312237430386427
Energy: 0.596771527528402
Energy: 0.6312237430373172
Energy: 0.5967715275290647
Energy: 0.601429518656841
Energy: 0.6678872686140859
Energy: 0.6014295186528645
Energy: 0.6678872686134232
Energy: 0.6014295186594919
Energy: 0.6678872686140859
Energy: 0.494524397674833
Energy: 0.6614023013332678
Energy: 0.4954462833894077
Energy: 0.6610557014460265
Energy: 0.4917527426667108
Energy: 0.6610394404856704
Energy: 0.639409581605388
Energy: 0.5981493082164544
Energy: 0.639409581605388
Energy: 0.5981493082157916
Energy: 0.639409581605388
Energy: 0.5981493082157916
Energy: 0.6106908485792577
Energy: 0.64319985751692
Energy: 0.6106908485766068
Energy: 0.6431998575182455
Energy: 0.6106908485792577
Energy: 0.6431998575182455
Energy: 0.5481498771125555
Energy: 0.5299018458056268
Energy: 0.54814987711123
Energy: 0.5280433843212958
Energy: 0.5481498771158693
Energy: 0.5280640083387895
Energy: 0.6575289437691514
Energy: 0.579876988229005
Energy: 0.6575289437684887
Energy: 0.579876988229005
Energy: 0.6575289437691514
Energy: 0.5798769882283421
Energy: 0.6093025784550351
Energy: 0.6439568545635872
Energy: 0.6093025784543724
Energy: 0.6439568545635872
Energy: 0.609302578455698
Energy: 0.6439568545622617
Energy: 0.6009547336682397
Energy: 0.6359293488799226
Energy: 0.6009547336682397
Energy: 0.6359293488838991
Energy: 0.6009547336682397
Energy: 0.6359293488825736
Energy: 0.7009255989896199
Energy: 0.6105545959793136
Energy: 0.7009255989889572
Energy: 0.6105545959793136
Energy: 0.7009255989902827
Energy: 0.6105545959806392
Energy: 0.6069049851316382
Energy: 0.6094908416321464
Energy: 0.6069049851323008
Energy: 0.6094908416347974
Energy: 0.6069049851323008
Energy: 0.6094908416341346
Energy: 0.6379304864160166
Energy: 0.6109109987305342
Energy: 0.637930486414691
Energy: 0.6109109987305342
Energy: 0.6379304864140283
Energy: 0.6109109987325224
Energy: 0.5060434398916763
Energy: 0.6111132784296562
Energy: 0.5081104566109444
Energy: 0.6111132784342955
Energy: 0.5090837864509257
Energy: 0.61111327843297
Energy: 0.5868942119523526
Energy: 0.6476714023461813
Energy: 0.5868942119530153
Energy: 0.6476714023455186
Energy: 0.5868942119516899
Energy: 0.6476714023468441
Energy: 0.5907410205788507
Energy: 0.6841971126993687
Energy: 0.5907410205768625
Energy: 0.684197112698706
Energy: 0.590741020578188
Energy: 0.684197112698706
Energy: 0.6047215954025857
Energy: 0.626150365866099
Energy: 0.6047215951608044
Energy: 0.6261503658647736
Energy: 0.6047215942406737
Energy: 0.6261503658601343
Energy: 0.5777181191951659
Energy: 0.6469244676494965
Energy: 0.5777181191938404
Energy: 0.6469244676468456
Energy: 0.5777181191951659
Energy: 0.6469244676461827
Energy: 0.627842939009185
Energy: 0.6611181662744882
Energy: 0.6278429390098477
Energy: 0.6611181662738254
Energy: 0.627842939009185
Energy: 0.6611181662738254
Energy: 0.6595694869046941
Energy: 0.6151956424759187
Energy: 0.6595694869040313
Energy: 0.6151956424745932
Energy: 0.6595694869027059
Energy: 0.6151956424752559
Energy: 0.5596144178572634
Energy: 0.6248035568871252
Energy: 0.5595820543357907
Energy: 0.624803556887788
Energy: 0.486776926319458
Energy: 0.6248035568897762
Energy: 0.6066510447988958
Energy: 0.6599405738486974
Energy: 0.6066510447988958
Energy: 0.6599405738493602
Energy: 0.6066510447995584
Energy: 0.6599405738486974
Energy: 0.5737686878657426
Energy: 0.6377225844269115
Energy: 0.5737686878657426
Energy: 0.6377225844275141
Energy: 0.5737686878657426
Energy: 0.6377225844269115

minimum gb energy = 0.486776926319458 eV
minimum distance =  2.36639479739574 Angstroms
sigma value = 43


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

Energy: 0.5697697659312424
Energy: 0.5238952138628097
Energy: 0.5697697659297938
Energy: 0.5238952138637756
Energy: 0.5697697659302766
Energy: 0.5238952138637756
Energy: 0.5912117728314146
Energy: 0.5845798512268116
Energy: 0.5912117728318975
Energy: 0.5845798512268116
Energy: 0.5912117728318975
Energy: 0.5845798512263286
Energy: 0.5737839901304994
Energy: 0.5832149157854023
Energy: 0.5737839901300166
Energy: 0.5832149157854023
Energy: 0.5737839901300166
Energy: 0.583214915785885
Energy: 0.5457491521549561
Energy: 0.5734228359438523
Energy: 0.5457426835862248
Energy: 0.5734228359443353
Energy: 0.5457225970260742
Energy: 0.5734228359443353
Energy: 0.5940307573568531
Energy: 0.4901282728345127
Energy: 0.5940307573563702
Energy: 0.49012827283306404
Energy: 0.5940307573563702
Energy: 0.490128272833547
Energy: 0.5215123776698056
Energy: 0.5199653814063412
Energy: 0.5215123776698056
Energy: 0.5199653814063412
Energy: 0.5215123776698056
Energy: 0.5199653814053754
Energy: 0.4915156464090559
Energy: 0.5638736474172663
Energy: 0.49151564634246253
Energy: 0.5638736474172663
Energy: 0.49151564612090903
Energy: 0.5638736474177491
Energy: 0.5913135498125517
Energy: 0.46789570637727157
Energy: 0.5913135498144833
Energy: 0.46789570637727157
Energy: 0.5913135498140004
Energy: 0.46789570637823735
Energy: 0.5065426793524138
Energy: 0.5108122275854771
Energy: 0.5065426793499993
Energy: 0.5108122275859599
Energy: 0.5065426793509651
Energy: 0.5108122275859599
Energy: 0.5980955272461984
Energy: 0.5378840313289562
Energy: 0.5980955272461984
Energy: 0.5378840313289562
Energy: 0.5980955272471642
Energy: 0.5378840313289562
Energy: 0.660245098574278
Energy: 0.4837778917594259
Energy: 0.660245098574278
Energy: 0.483777862532626
Energy: 0.6602450985723465
Energy: 0.48377782466761005
Energy: 0.5134370576793079
Energy: 0.5123177297299863
Energy: 0.5134370576788251
Energy: 0.5123177297314349
Energy: 0.5134370576788251
Energy: 0.512317729730952
Energy: 0.5986260184424632
Energy: 0.5121055954229122
Energy: 0.598626018442946
Energy: 0.5121055954233951
Energy: 0.5986260184424632
Energy: 0.5121055954233951
Energy: 0.6520213549144561
Energy: 0.4910837218969757
Energy: 0.652021354914939
Energy: 0.49108263112743517
Energy: 0.6520213549144561
Energy: 0.4910809489802953
Energy: 0.5301008594121678
Energy: 0.5124074467603628
Energy: 0.5301008594126506
Energy: 0.5124074467603628
Energy: 0.5301008594131335
Energy: 0.5124074467627772
Energy: 0.5446495167796208
Energy: 0.5201351908134481
Energy: 0.544649516779138
Energy: 0.5201351908163453
Energy: 0.5446495167772065
Energy: 0.5201351908211742
Energy: 0.5878858851429377
Energy: 0.564482437278974
Energy: 0.5878858851419718
Energy: 0.5642373134940515
Energy: 0.587885885141006
Energy: 0.5642079107634069
Energy: 0.5456860176907135
Energy: 0.48968346571149335
Energy: 0.5456860176902305
Energy: 0.48968346571487353
Energy: 0.5456860176916791
Energy: 0.4896834657153564
Energy: 0.5205187837332715
Energy: 0.5422725892865454
Energy: 0.5205187837332715
Energy: 0.5422725892865454
Energy: 0.5205187837327886
Energy: 0.5422725892865454
Energy: 0.5227877670193479
Energy: 0.5082115890502934
Energy: 0.5227877670178994
Energy: 0.5082115890488448
Energy: 0.5227877670174165
Energy: 0.5082115890541565
Energy: 0.5868457499493666
Energy: 0.507667756609924
Energy: 0.5868457499508152
Energy: 0.5076677566089582
Energy: 0.5868457499508152
Energy: 0.5076677566094411
Energy: 0.5910351399697631
Energy: 0.5879450471992987
Energy: 0.5910351399687974
Energy: 0.5879450471988159
Energy: 0.5910351399687974
Energy: 0.5879450471997816
Energy: 0.5570212514436554
Energy: 0.5840616374848131
Energy: 0.5570212514441383
Energy: 0.5840616374848131
Energy: 0.5570212514436554
Energy: 0.5840616374843304
Energy: 0.5399998798208747
Energy: 0.5268480606846044
Energy: 0.5399998796992771
Energy: 0.5268480606841216
Energy: 0.5399998792354064
Energy: 0.5268480606846044
Energy: 0.545534810221195
Energy: 0.5377160908266466
Energy: 0.5455348102202291
Energy: 0.5377160908271295
Energy: 0.545534810220712
Energy: 0.5377160908276123
Energy: 0.5482618568100563
Energy: 0.5663338398802025
Energy: 0.5482618568090906
Energy: 0.5663338398792367
Energy: 0.5482618568095734
Energy: 0.5663338398792367
Energy: 0.5805516834588162
Energy: 0.506209065286815
Energy: 0.5108182514003795
Energy: 0.5062090652877806
Energy: 0.5108182280959105
Energy: 0.5062090652877806
Energy: 0.47048112378192747
Energy: 0.5666769713724715
Energy: 0.47048112378289325
Energy: 0.5666769713734371
Energy: 0.47048112378047885
Energy: 0.5666769713719886
Energy: 0.5055199580425176
Energy: 0.5376307622803453
Energy: 0.5055199580430003
Energy: 0.5376307622798625
Energy: 0.5055199580430003
Energy: 0.5376307622793797
Energy: 0.5273651116630627
Energy: 0.4680128255948976
Energy: 0.5273651116640284
Energy: 0.46773001807446357
Energy: 0.5273651116616139
Energy: 0.42922260083985675
Energy: 0.5035051584668674
Energy: 0.5704874429266262
Energy: 0.5035051584649358
Energy: 0.5704874429266262
Energy: 0.5035051584673503
Energy: 0.5704874429251775
Energy: 0.5058613645502099
Energy: 0.522265564336757
Energy: 0.5058613645516147
Energy: 0.522265564336757
Energy: 0.5058613645506929
Energy: 0.522265564336274
Energy: 0.5109376354245466
Energy: 0.5760038499572233
Energy: 0.5109376354004027
Energy: 0.5760038499572233
Energy: 0.5109376353313511
Energy: 0.5760038499572233
Energy: 0.4866330544915837
Energy: 0.5069342272453965
Energy: 0.48663302655547447
Energy: 0.5069342271421043
Energy: 0.4866329485072303
Energy: 0.506934227039778
Energy: 0.5058419806430012
Energy: 0.5059042568320885
Energy: 0.5058419806430012
Energy: 0.5059042568316057
Energy: 0.505841980643484
Energy: 0.5059042568311227
Energy: 0.460694898253203
Energy: 0.4988351672645076
Energy: 0.46069489825368587
Energy: 0.49883516726402477
Energy: 0.46069489825368587
Energy: 0.4988351672635419

minimum gb energy = 0.42922260083985675 eV
minimum distance =  2.35332636354849 Angstroms
sigma value = 81


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

Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: 0.7344746896582466
Energy: 0.04130587434239784
Energy: 0.7344746896582466
Energy: 0.04130587434239784
Energy: 0.7344746896582466
Energy: 0.041305874340623626
Energy: 0.7344700760183849
Energy: 0.0410916091850401
Energy: 0.7344700760183849
Energy: 0.041091609186814315
Energy: 0.7344700760183849
Energy: 0.041091609186814315
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: 0.7344746896582466
Energy: 0.04130587433884941
Energy: 0.7344746896564723
Energy: 0.04130587433884941
Energy: 0.7344746896582466
Energy: 0.04130587433884941
Energy: 0.7344700760183849
Energy: 0.04109160918858852
Energy: 0.7344700760183849
Energy: 0.041091609190362734
Energy: 0.7344700760183849
Energy: 0.04109160918858852
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: 0.7344746896582466
Energy: 0.04130587433707521
Energy: 0.7344746896564723
Energy: 0.04130587433707521
Energy: 0.7344746896582466
Energy: 0.04130587433707521
Energy: 0.7344700760183849
Energy: 0.041091609195685365
Energy: 0.7344700760183849
Energy: 0.041091609195685365
Energy: 0.7344700760166106
Energy: 0.04109160919391115
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.0068432594227672405
Energy: -0.03442255892981762
Energy: -0.006843259420993031

minimum gb energy = -0.03442255892981762 eV
minimum distance =  2.52924489190688 Angstroms
sigma value = 3


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

Energy: 0.3620410238591863
Energy: 0.35453890190171633
Energy: 0.3620410238591863
Energy: 0.3545389019022473
Energy: 0.3620410238597172
Energy: 0.3545389019022473
Energy: 0.2263008462527062
Energy: 0.28273865705315543
Energy: 0.2263008462511134
Energy: 0.28273865705315543
Energy: 0.22630084625376806
Energy: 0.28273865705315543
Energy: 0.42953670816693074
Energy: 0.2683572782701704
Energy: 0.4295367081679926
Energy: 0.2683572782696395
Energy: 0.3408469640532871
Energy: 0.2683572782701704
Energy: 0.29702029572252914
Energy: 0.28514991255996064
Energy: 0.29702029572306005
Energy: 0.2851498644428663
Energy: 0.29702029572306005
Energy: 0.28514979107391936
Energy: 0.28846382999178083
Energy: 0.2840302239045221
Energy: 0.28846382999124986
Energy: 0.28403022390558397
Energy: 0.2884638299923118
Energy: 0.28403022390558397
Energy: 0.3366736253110775
Energy: 0.2988441171089283
Energy: 0.33667362530576805
Energy: 0.29884411710839737
Energy: 0.3366736252632931
Energy: 0.2988441171089283
Energy: 0.3137665167502512
Energy: 0.43364267706168225
Energy: 0.31376651675078215
Energy: 0.4336426770611513
Energy: 0.3137665167497202
Energy: 0.43364267706221316
Energy: 0.15151838902227924
Energy: 0.28464104038145466
Energy: 0.15151838902121736
Energy: 0.2846410403809237
Energy: 0.1515183890217483
Energy: 0.2846410403809237
Energy: 0.3471025421422659
Energy: 0.3103988560727836
Energy: 0.3471025421396112
Energy: 0.3103988560727836
Energy: 0.3471025421374875
Energy: 0.3103988560727836
Energy: 0.3131971262906518
Energy: 0.278236910364538
Energy: 0.3131971262906518
Energy: 0.27823690964328407
Energy: 0.3131971262906518
Energy: 0.2782369085813615
Energy: -1.2532337860185545
Energy: 0.28565362968313623
Energy: -1.2740174161983515
Energy: 0.2856536296826053
Energy: -1.3122978276945745
Energy: 0.285653629676765
Energy: 0.35947199098266763
Energy: 0.35529516801989763
Energy: 0.3594719599414284
Energy: 0.355294595067252
Energy: 0.35947186507271334
Energy: 0.35529376738265245
Energy: 0.2846280244783958
Energy: 0.24504620277310518
Energy: 0.28462802447786484
Energy: 0.24504620277416705
Energy: 0.2846280244783958
Energy: 0.24504620277416705
Energy: 0.42227656318420925
Energy: 0.3094432674243469
Energy: 0.4222765631852711
Energy: 0.3094432674248779
Energy: 0.42227656318580203
Energy: 0.3094432674248779
Energy: 0.31289889322803677
Energy: 0.3390306004142125
Energy: 0.31289889322803677
Energy: 0.33903060040040817
Energy: 0.31289889322803677
Energy: 0.33903060037492316
Energy: 0.2844243874751272
Energy: 0.28904514421377214
Energy: 0.2844243874751272
Energy: 0.28904514421377214
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Energy: 0.28904514421430305
Energy: 0.26116975727551045
Energy: 0.4118992433640959
Energy: 0.26116975726436076
Energy: 0.4118992433646268
Energy: 0.26116975725214925
Energy: 0.4118992433646268
Energy: 0.27189247745340445
Energy: 0.29885383623332606
Energy: 0.2718924774528735
Energy: 0.2988537983285178
Energy: 0.27189247745340445
Energy: 0.29885373166178325
Energy: 0.28413969255498456
Energy: 0.22534243613848157
Energy: 0.28413969255498456
Energy: 0.22534243613688873
Energy: 0.28413969255498456
Energy: 0.22534243613901248
Energy: 0.31745810873949587
Energy: 0.3258286133152459
Energy: 0.31745810859778395
Energy: 0.32582861331471497
Energy: 0.3174581081806604
Energy: 0.3258286133152459
Energy: 0.26950030576537
Energy: 0.1464903989570656
Energy: 0.26950030576537
Energy: 0.1464903989570656
Energy: 0.26950030576537
Energy: 0.1464903989570656
Energy: 0.2703511298713751
Energy: 0.2971068865864357
Energy: 0.2703511298713751
Energy: 0.2971068865864357
Energy: 0.27035112987190607
Energy: 0.29710688658696666
Energy: 0.3295487582365569
Energy: 0.27133386962407885
Energy: 0.28101803080233007
Energy: 0.27133386962354794
Energy: 0.28037532219482075
Energy: 0.27133386962354794
Energy: 0.2512927458238714
Energy: 0.15004208885730566
Energy: 0.25057651817241305
Energy: 0.15004208885677472
Energy: 0.21945121121852432
Energy: 0.15004208885677472
Energy: 0.2844876304006998
Energy: 0.32108036898315817
Energy: 0.2844876304006998
Energy: 0.3210803685331165
Energy: 0.2844876304006998
Energy: 0.3210803679408803
Energy: 0.34058627779387185
Energy: 0.28331784348060024
Energy: 0.3405862778028978
Energy: 0.28331784348006933
Energy: 0.3405862778002431
Energy: 0.28331784348060024
Energy: 0.3116349293489782
Energy: 0.20301819407142566
Energy: 0.3116348913767891
Energy: 0.2030181940698328
Energy: 0.3116348039702507
Energy: 0.2030181940708947
Energy: 0.31311034245426694
Energy: 0.3526271485240605
Energy: 0.31311034245320507
Energy: 0.3526271485240605
Energy: 0.31311034245373603
Energy: 0.3526271485245914
Energy: 0.3850004186958407
Energy: 0.2835758843811019
Energy: 0.38500041869637164
Energy: 0.2835758843811019
Energy: 0.3850004186958407
Energy: 0.2835758843811019
Energy: 0.31427001444353087
Energy: 0.41942155219702265
Energy: 0.31427001443662866
Energy: 0.4194215521959608
Energy: 0.31427001441804586
Energy: 0.41942155219383703
Energy: 0.33818132618666663
Energy: 0.35156178689783935
Energy: 0.33818132618613567
Energy: 0.3515617868989012
Energy: 0.33818132618613567
Energy: 0.3515617868973084
Energy: 0.35042008945821307
Energy: 0.29889652583217996
Energy: 0.35042008945715125
Energy: 0.29889652583164905
Energy: 0.3504200894566203
Energy: 0.29889652583164905
Energy: 0.2685393282418627
Energy: 0.33166076558209845
Energy: 0.2685393282450484
Energy: 0.33166076556617036
Energy: 0.2685393282439865
Energy: 0.3316607655592681

minimum gb energy = -1.3122978276945745 eV
minimum distance =  2.37175874152837 Angstroms
sigma value = 67


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

Energy: 0.6121234466973603
Energy: 0.42650763528981
Energy: 0.6121234466966037
Energy: 0.42650763528981
Energy: 0.6121234466981168
Energy: 0.42650763529056657
Energy: 0.4144868665199111
Energy: 0.05156137061010015
Energy: 0.414486866516885
Energy: 0.05156137061010015
Energy: 0.41448686651839806
Energy: 0.0515613706085871
Energy: 0.593071374174627
Energy: 0.04740900747372953
Energy: 0.5930713741753836
Energy: 0.047409007472973004
Energy: 0.5930713741761401
Energy: 0.04740900747372953
Energy: 0.06618148130889161
Energy: 0.507649010098247
Energy: 0.06618148130964813
Energy: 0.507649010098247
Energy: 0.06618148131040465
Energy: 0.5076490100974904
Energy: 0.4607034906602543
Energy: 0.27338871373691215
Energy: 0.4607034906602543
Energy: 0.2733887137361557
Energy: 0.4607034906602543
Energy: 0.2733887137376687
Energy: 0.48405508929377883
Energy: 0.4259309857297633
Energy: 0.48405508929377883
Energy: 0.4259309857290068
Energy: 0.4840550892922657
Energy: 0.4259309857297633
Energy: 0.30868908116319993
Energy: 0.4944739477018696
Energy: 0.3086890811639565
Energy: 0.494473947701113
Energy: 0.30868908116471294
Energy: 0.494473947701113
Energy: 0.5508783863167309
Energy: 0.28710588133726533
Energy: 0.5508783863174874
Energy: 0.2871058813380219
Energy: 0.5508783863190005
Energy: 0.28710588133877835
Energy: 0.4988114492036937
Energy: -2.219642432559328
Energy: 0.49881144920142406
Energy: -2.138398133373139
Energy: 0.49881144919991105
Energy: -2.1529587460907895
Energy: 0.43095041083942237
Energy: 0.46342295109678555
Energy: 0.43095041083942237
Energy: 0.46342295109602905
Energy: 0.43095041083942237
Energy: 0.46342295109602905
Energy: 0.44516467168779766
Energy: 0.4319072771739933
Energy: 0.4451640529591456
Energy: 0.43190727717323674
Energy: 0.4451622918209118
Energy: 0.43190727715810623
Energy: 0.4287310606067731
Energy: 0.42016703735150446
Energy: 0.4287310606067731
Energy: 0.42010039672978017
Energy: 0.4287310606067731
Energy: -2.7168872853155115
Energy: 0.43066185981998906
Energy: 0.43884997921023144
Energy: 0.4306618598192326
Energy: 0.4388499792117445
Energy: 0.4306618598192326
Energy: 0.43884997921023144
Energy: 0.46852951790702935
Energy: 0.06513290677574621
Energy: 0.46852951790627284
Energy: 0.06513290678860713
Energy: 0.46852951790702935
Energy: 0.06513290678558104
Energy: 0.37018405215364353
Energy: 0.39528017724438075
Energy: 0.3701840521544001
Energy: 0.39528017724513725
Energy: 0.370184052152887
Energy: 0.39528017724438075
Energy: 0.056472401976450884
Energy: 0.44028499957611067
Energy: 0.056472401976450884
Energy: 0.4402849995738411
Energy: 0.05647240197720741
Energy: 0.44028499957535416
Energy: 0.4942277824086554
Energy: 0.06160644029323483
Energy: 0.49422778234517606
Energy: 0.061606440294747884
Energy: 0.4942277821523308
Energy: 0.061606440294747884
Energy: 0.34369566619825015
Energy: 0.4343515535979819
Energy: 0.34369566619749364
Energy: 0.4343515535987384
Energy: 0.34369566619749364
Energy: 0.43435155359949496
Energy: 0.3078345922423501
Energy: 0.4714673935356888
Energy: 0.30783459224083703
Energy: 0.4714673935341757
Energy: 0.3078345922400805
Energy: 0.4714673935334192
Energy: 0.4371254495826489
Energy: 0.05037939425979057
Energy: 0.43712544958037935
Energy: 0.05037939425979057
Energy: 0.43712544958189237
Energy: 0.05037939426130362
Energy: -2.3645187556389735
Energy: 0.44172964773716544
Energy: -2.491889421432564
Energy: 0.44172964773716544
Energy: -2.6956345672060933
Energy: 0.44172964773716544
Energy: 0.27266822672631896
Energy: -2.176993379886978
Energy: 0.2726682267270755
Energy: -2.209770363662919
Energy: 0.27266822672934504
Energy: -2.195754780495319
Energy: 0.5188740475743617
Energy: 0.047148723561419185
Energy: 0.5188740475796574
Energy: 0.04714872356368875
Energy: 0.5188740475743617
Energy: 0.04714872356368875

minimum gb energy = -2.7168872853155115 eV
minimum distance =  2.36359958870469 Angstroms
sigma value = 33


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

Energy: 0.45106151438479136
Energy: 0.5669479177794394
Energy: 0.45106151438239167
Energy: 0.5669479177794394
Energy: 0.45106151438335157
Energy: 0.5669479177789595
Energy: 0.49363168562822024
Energy: 0.38217764695524964
Energy: 0.49363168562918014
Energy: 0.3821776469571694
Energy: 0.49363168562966003
Energy: 0.3821776469562095
Energy: 0.43256493779894883
Energy: 0.37153376374953223
Energy: 0.4325649377960693
Energy: 0.3715337637500122
Energy: 0.4325649377955893
Energy: 0.37153376374953223
Energy: 0.3886310765823187
Energy: 0.605526761295593
Energy: 0.38863107658087886
Energy: 0.6055267612960729
Energy: 0.3886310765813588
Energy: 0.6055267612936733
Energy: 0.5820541445766815
Energy: 0.4163487665199502
Energy: 0.5820541445766815
Energy: 0.4163487665209101
Energy: 0.5820541445766815
Energy: 0.4163487665209101
Energy: -1.1369387783942038
Energy: 0.5514879436421265
Energy: -1.180246634907897
Energy: 0.5514879379868186
Energy: -1.2415458430687791
Energy: 0.5514879291524425
Energy: 0.37264237585294663
Energy: 0.607379858208596
Energy: 0.37264237585486637
Energy: 0.6073798582076362
Energy: 0.3726423758563061
Energy: 0.6073798582076362
Energy: 0.6772604637772751
Energy: 0.5623592480886009
Energy: 0.6772604637763154
Energy: 0.5623592480881211
Energy: 0.6772604637767953
Energy: 0.5623592480871612
Energy: 0.5258165088197935
Energy: 0.5586265046797739
Energy: 0.5258165088193136
Energy: 0.5586265046730551
Energy: 0.5258165088197935
Energy: 0.5586265046567811
Energy: 0.07468715152011104
Energy: 0.5923907181916914
Energy: 0.07468715151579171
Energy: 0.5923907181969705
Energy: 0.07468715151579171
Energy: 0.566718640210446
Energy: 0.5875509674150488
Energy: 0.3921323589982649
Energy: 0.5875509674150488
Energy: 0.392132358997305
Energy: 0.5875509674112094
Energy: 0.3921323589977849
Energy: 0.5080561985783845
Energy: 0.5403123356900293
Energy: 0.5080561985788644
Energy: 0.5403123356890694
Energy: 0.5080561985764647
Energy: 0.5403123356900293
Energy: 0.08338393027975484
Energy: 0.45453779163782265
Energy: 0.08338393027975484
Energy: 0.45453779163782265
Energy: 0.08338393027975484
Energy: 0.45453779163974234
Energy: 0.5170727682486771
Energy: 0.3835803795836655
Energy: 0.5170727682481971
Energy: 0.3835803795831855
Energy: 0.517072768249637
Energy: 0.3835803795836655
Energy: 0.45158109122444207
Energy: 0.5308508275769699
Energy: 0.45158109122583817
Energy: 0.5308508275764899
Energy: 0.4515810912253583
Energy: 0.53085082757601
Energy: 0.3886278094015534
Energy: 0.5234121832347828
Energy: 0.3886278094015534
Energy: 0.5234121832155858
Energy: 0.38862780940107344
Energy: 0.5234121831911097
Energy: 0.586421892545461
Energy: 0.3719357152488931
Energy: 0.5864218925464209
Energy: 0.37193571524793323
Energy: 0.5864218925464209
Energy: 0.371935715249373
Energy: 0.450836721146169
Energy: -1.247374674575153
Energy: 0.4508433506307979
Energy: -1.2394635066849482
Energy: 0.4508216048072374
Energy: -1.303608603236549
Energy: 0.49055558444752584
Energy: 0.6365804495490882
Energy: 0.49055558444560615
Energy: 0.6365804495490882
Energy: 0.49055558444608616
Energy: 0.6365804495495683
Energy: 0.6069991109478311
Energy: 0.3835944240710497
Energy: 0.6069991109473512
Energy: 0.38359442407296945
Energy: 0.6069991109473512
Energy: 0.3835944240667304
Energy: 0.3718146490543755
Energy: 0.5210877006265017
Energy: 0.3718146490548554
Energy: 0.5210877002499349
Energy: 0.37181464905533534
Energy: 0.5210876996872008
Energy: 0.48237494619821464
Energy: 0.5689266167045375
Energy: 0.48237494619725485
Energy: 0.5689266167040575
Energy: 0.4823749461996544
Energy: 0.5689266167040575
Energy: 0.6138106694272099
Energy: 0.39291396577232235
Energy: 0.6138106503375297
Energy: 0.3929139657742421
Energy: 0.6138105993829966
Energy: 0.39291396577040266
Energy: 0.07303313715242893
Energy: 0.5206516447118178
Energy: 0.07303313715722819
Energy: 0.5206516447103781
Energy: 0.07303313715434862
Energy: 0.5206516447127776
Energy: 0.375071393084487
Energy: 0.5204745844117571
Energy: 0.3750713930849233
Energy: 0.520474584412717
Energy: 0.37507139308588316
Energy: 0.5204745844112773
Energy: 0.6800427286077289
Energy: 0.5248298089886926
Energy: 0.6800427286062892
Energy: 0.5248298089896524
Energy: 0.6800427286067691
Energy: 0.5248298089896524
Energy: 0.3719154656292896
Energy: 0.5591218668313477
Energy: 0.3719154656302494
Energy: 0.5591218668318276
Energy: 0.3719154656292896
Energy: 0.5591218668308678
Energy: 0.3722344130663041
Energy: 0.5867963716396685
Energy: 0.37223441306582417
Energy: -0.3182511759801261
Energy: 0.3722344130643844
Energy: -0.6986829321156847
Energy: 0.6140079715449042
Energy: 0.39387943392418684
Energy: 0.6140079715453841
Energy: 0.3938794339251466
Energy: 0.6140079715444242
Energy: 0.39387943392706637
Energy: 0.3866992912394372
Energy: 0.6071868462396023
Energy: 0.3866992912399171
Energy: 0.6071868462400821
Energy: 0.38669929123847735
Energy: 0.6071868462400821
Energy: -0.9211256900464715
Energy: -1.0480234651094598
Energy: -1.0488214275832555
Energy: -1.3789491699790912
Energy: -1.3886084598043962
Energy: -1.3189415526232788
Energy: 0.5731842106198851
Energy: 0.3808892796589281
Energy: 0.5731842106189252
Energy: 0.38088927966180763
Energy: 0.5731842106189252
Energy: 0.38088927965844815
Energy: 0.4905207611494678
Energy: 0.5210992023794979
Energy: 0.4905207611489879
Energy: 0.5210992022461224
Energy: 0.49052076114994775
Energy: 0.5210992020504001
Energy: 0.254404713517408
Energy: 0.38321380631483304
Energy: 0.25440471351692806
Energy: 0.38321380631579294
Energy: 0.2544047135159683
Energy: 0.3832138063177126
Energy: 0.5184682875823261
Energy: 0.3708496526667768
Energy: 0.518468287582806
Energy: 0.3708496526686965
Energy: 0.518468287583286
Energy: 0.3708496526667768
Energy: 0.08482395474404704
Energy: 0.46883642775465534
Energy: 0.08482395474068756
Energy: 0.46883642775609513
Energy: 0.08482395474404704
Energy: 0.4688364277541755
Energy: 0.5115589179729851
Energy: 0.4921903017993037
Energy: 0.5115589179720252
Energy: 0.4921903017993037
Energy: 0.5115589179725052
Energy: 0.4921903017997836

minimum gb energy = -1.3886084598043962 eV
minimum distance =  2.38550111812175 Angstroms
sigma value = 41


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

Energy: 0.7015514139153097
Energy: 0.7284524638984117
Energy: 0.70155141391662
Energy: 0.7284524638984117
Energy: 0.7015514139153097
Energy: 0.7284524638984117
Energy: 0.7555674829073608
Energy: 0.7271385143093945
Energy: 0.7555674829073608
Energy: 0.7271385143093945
Energy: 0.7555674829073608
Energy: 0.7271385143093945
Energy: 0.8228016546249193
Energy: 0.7250466056920184
Energy: 0.9316910580290094
Energy: 0.7250466056933289
Energy: 0.7950559564018072
Energy: 0.7250466056907081
Energy: 0.6970893385762547
Energy: 0.8129763286729714
Energy: 0.6970893385762547
Energy: 0.8129763286729714
Energy: 0.6970893385762547
Energy: 0.812976328671661
Energy: 0.7932961229517372
Energy: 0.7329236307809387
Energy: 0.7932961229517372
Energy: 0.7329236307809387
Energy: 0.7932961229504268
Energy: 0.7329236307809387
Energy: 0.8109027876165593
Energy: 0.8062900251443531
Energy: 0.8109027876165593
Energy: 0.8062900251443531
Energy: 0.8109027876165593
Energy: 0.8062900251430426
Energy: 0.694440789226235
Energy: 0.7747434897476333
Energy: 0.694440789226235
Energy: 0.7747434897489436
Energy: 0.694440789226235
Energy: 0.7747434897476333
Energy: 0.7199893548408097
Energy: 0.7273625196798784
Energy: 0.7199893548408097
Energy: 0.727362519678568
Energy: 0.7199893548408097
Energy: 0.727362519678568
Energy: 0.7605003767222759
Energy: 0.748332348219933
Energy: 0.7605003767222759
Energy: 0.748332348219933
Energy: 0.7605003767222759
Energy: 0.748332348219933
Energy: 0.696070684899217
Energy: 0.7981762961309218
Energy: 0.696070684899217
Energy: 0.7981762961309218
Energy: 0.6960706848979066
Energy: 0.7981762961296114
Energy: 0.7540299764838962
Energy: 0.7252084442216036
Energy: 0.7540299764838962
Energy: 0.7252084442216036
Energy: 0.7540299764852065
Energy: 0.7252084442216036
Energy: 0.7542823052732106
Energy: 0.7257762436977602
Energy: 0.754282305266659
Energy: 0.7257762436977602
Energy: 0.7542823052732106
Energy: 0.7257762436977602
Energy: 0.7310507292996304
Energy: 0.8100742866904789
Energy: 0.7310507292996304
Energy: 0.8100742866930996
Energy: 0.7310507292996304
Energy: 0.8100742866930996
Energy: 0.7925261203185996
Energy: 0.726992518367153
Energy: 0.7925261203172892
Energy: 0.726992518367153
Energy: 0.7925261203185996
Energy: 0.726992518367153

minimum gb energy = 0.694440789226235 eV
minimum distance =  2.36907723531508 Angstroms
sigma value = 11


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

Energy: 0.8541817846784585
Energy: 0.916115921852659
Energy: 0.8541817846773072
Energy: 0.9161159218520833
Energy: 0.8541817846796097
Energy: 0.9161159218532348
Energy: 0.9102921649839067
Energy: 0.8675199748978939
Energy: 0.910292164983331
Energy: 0.8675199748973184
Energy: 0.9102921649844823
Energy: 0.8675199748967426
Energy: 1.0045192213777854
Energy: 0.884387076078897
Energy: 1.0045192213772096
Energy: 0.8843870760783212
Energy: 1.0045192213777854
Energy: 0.8843870760783212
Energy: 0.8469926984779969
Energy: 0.9552864888368348
Energy: 0.8469926984779969
Energy: 0.9552864888356835
Energy: 0.8469926984785725
Energy: 0.9552864888362592
Energy: 0.9813189710664254
Energy: 0.9080518387619396
Energy: 0.981318950874257
Energy: 0.9080518387619396
Energy: 0.9813188841020942
Energy: 0.9080518387688472
Energy: 0.8780780387189996
Energy: 0.8831016731380511
Energy: 0.8780780387201509
Energy: 0.8831016746564572
Energy: 0.8780780387195752
Energy: 0.8831016769349296
Energy: 0.8723190268935702
Energy: 1.0036692817124422
Energy: 0.8723190268918434
Energy: 1.0036692817124422
Energy: 0.8723190268929947
Energy: 1.0036692817118669
Energy: 0.9678091819230165
Energy: 0.8635821909027659
Energy: 0.9678091819230165
Energy: 0.8635821909027659
Energy: 0.9678091819235921
Energy: 0.8635821909021901
Energy: 0.9570618374988854
Energy: 0.8649560807155189
Energy: 0.9570618375000367
Energy: 0.8649560807155189
Energy: 0.957061837499461
Energy: 0.8649560807160946
Energy: 0.8968130918776326
Energy: 0.9663992350972954
Energy: 0.8968130918776326
Energy: 0.9663992350972954
Energy: 0.8968130918782081
Energy: 0.9663992350972954
Energy: 0.9657638273457666
Energy: 0.8993537973945056
Energy: 0.9657638273463423
Energy: 0.8993537973956571
Energy: 0.965763827345191
Energy: 0.8993537973956571
Energy: 0.9561184031669807
Energy: 0.9296654023735413
Energy: 0.9561184031664051
Energy: 0.9296654023735413
Energy: 0.9561184031664051
Energy: 0.9296654023735413
Energy: 0.8665898896016133
Energy: 0.9521725270624047
Energy: 0.8665898896004621
Energy: 0.9521725270629803
Energy: 0.8665898895970083
Energy: 0.952172527061829
Energy: 1.0261121235096922
Energy: 0.858841258615487
Energy: 1.0261121235108435
Energy: 0.858841258615487
Energy: 1.0261121235108435
Energy: 0.858841258615487
Energy: 0.937454807206523
Energy: 0.8843182978296077
Energy: 0.885553002186501
Energy: 0.884318297829032
Energy: 0.945281741375881
Energy: 0.884318297829032
Energy: 0.8844523911109536
Energy: 0.9463619886693021
Energy: 0.8844523911115294
Energy: 0.9463619886698779
Energy: 0.8844523911109536
Energy: 0.9463619886704534
Energy: 0.9458264833755666
Energy: 0.891296542854097
Energy: 0.9458264833761424
Energy: 0.8912965428529456
Energy: 0.9458264833761424
Energy: 0.891296542854097
Energy: 0.9421593693719876
Energy: 0.9409391885846926
Energy: 0.9421593693719876
Energy: 0.9409391885841168
Energy: 0.9421593693714121
Energy: 0.9409391885841168
Energy: 0.8970141591326499
Energy: 0.9391009879015217
Energy: 0.8970141591320744
Energy: 0.9391009879015217
Energy: 0.8970141591326499
Energy: 0.9391009879015217
Energy: 0.9318924255195069
Energy: 0.8792358965805059
Energy: 0.9318924252059458
Energy: 0.8792358965805059
Energy: 0.9318924241518635
Energy: 0.8792358965793547
Energy: 0.8791191552383556
Energy: 0.9238879044417745
Energy: 0.8791191552349017
Energy: 0.9238879044423501
Energy: 0.8791191552349017
Energy: 0.9238879044423501
Energy: 0.8257873178487679
Energy: 0.9995431212357173
Energy: 0.8257873178481921
Energy: 0.9995431212374443
Energy: 0.8257873178487679
Energy: 0.9995431212368687
Energy: 0.9750596754645426
Energy: 0.8842144904091489
Energy: 0.9750596754651182
Energy: 0.8842144904091489
Energy: 0.9750596754645426
Energy: 0.8842144904085734
Energy: 0.9580906063792626
Energy: 0.8677629727353801
Energy: 0.9580906063786869
Energy: 0.867762972734229
Energy: 0.9580906063792626
Energy: 0.867762972734229
Energy: 0.8960210179601568
Energy: 0.9535447424022736
Energy: 0.8960210179601568
Energy: 0.9535447424016978
Energy: 0.8960210179601568
Energy: 0.9535447424022736
Energy: 0.9830919438830793
Energy: 0.8851773119716996
Energy: 0.9830919438830793
Energy: 0.885177311971124
Energy: 0.9830919438819281
Energy: 0.8851773119716996
Energy: 0.8907000753195512
Energy: 1.014424588906277
Energy: 0.8907000753195512
Energy: 1.0144245889068526
Energy: 0.8907000753195512
Energy: 1.014424588906277
Energy: 0.8665532290626878
Energy: 0.9214271910146141
Energy: 0.8665532290626878
Energy: 0.9214271910140384
Energy: 0.8665532290713223
Energy: 0.9214271910134627
Energy: 0.9571577248164791
Energy: 0.8537973274589806
Energy: 0.9571577248147523
Energy: 0.8537973274618587
Energy: 0.9571577248153278
Energy: 0.8537973274601319
Energy: 0.90882781675984
Energy: 0.8895188671257318
Energy: 0.90882781675984
Energy: 0.8895188671268829
Energy: 0.90882781675984
Energy: 0.8895188671274585
Energy: 0.8957593470163275
Energy: 0.9923674392556463
Energy: 0.8957593470163275
Energy: 0.9923674392567976
Energy: 0.8957593470163275
Energy: 0.9923674392562221

minimum gb energy = 0.8257873178481921 eV
minimum distance =  2.31832721976769 Angstroms
sigma value = 57


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

Energy: 0.9676977437433851
Energy: 1.0179150754728237
Energy: 0.9676977437444095
Energy: 1.0179150754728237
Energy: 0.9676977437423607
Energy: 1.0179150754728237
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 1.1365619771713102
Energy: 1.0235405974268934
Energy: 1.1365619771723345
Energy: 1.0235405974268934
Energy: 1.1365619771723345
Energy: 1.0235405974268934
Energy: 0.9591209911296013
Energy: 1.272663158963682
Energy: 0.9591209911306255
Energy: 1.0544296400646775
Energy: 0.9591209911306255
Energy: 1.0544296400657018
Energy: 1.1365738422286782
Energy: 1.023408769606603
Energy: 1.1365738422286782
Energy: 1.0234087696076275
Energy: 1.1365738422286782
Energy: 1.0234087696076275
Energy: 0.9622451605687765
Energy: 1.013327453417493
Energy: 0.9622451605698009
Energy: 1.0133274534185173
Energy: 0.9622451605687765
Energy: 1.0133274534185173
Energy: 0.9676977437433851
Energy: 1.0179150754728237
Energy: 0.9676977437433851
Energy: 1.017915075473848
Energy: 0.9676977437423607
Energy: 1.0179150754717994
Energy: 0.9621974364962568
Energy: 1.1105820091642316
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 0.9621974364962568
Energy: 1.1105820091642316
Energy: 1.136561977173359
Energy: 1.0235405974268934
Energy: 1.136561977173359
Energy: 1.0235405974279175
Energy: 1.1365619771723345
Energy: 1.0235405974279175
Energy: 0.9591209911306255
Energy: 1.139301628624329
Energy: 0.9591209911296013
Energy: 1.106397513739207
Energy: 0.95912099113165
Energy: 1.0946453187158163
Energy: 1.1365738422297025
Energy: 1.0234087696076275
Energy: 1.1365738422297025
Energy: 1.0234087696076275
Energy: 1.1365738422297025
Energy: 1.0234087696076275
Energy: 0.9622451605687765
Energy: 1.0133274534164687
Energy: 0.9622451605708252
Energy: 1.0133274534185173
Energy: 0.9622451605698009
Energy: 1.013327453417493
Energy: 0.9676977437444095
Energy: 1.0179150754717994
Energy: 0.9676977437444095
Energy: 1.0179150754728237
Energy: 0.9676977437433851
Energy: 1.0179150754728237
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 0.9621974364952326
Energy: 1.1105820091642316
Energy: 1.1365619771723345
Energy: 1.0235405974268934
Energy: 1.136561977173359
Energy: 1.0235405974268934
Energy: 1.1365619771723345
Energy: 1.0235405974268934
Energy: 0.9591209911306255
Energy: 1.0946453187147918
Energy: 0.9591209911296013
Energy: 1.0946453187147918
Energy: 0.9591209911285767
Energy: 1.0946453187158163
Energy: 1.1365738422286782
Energy: 1.0234087696076275
Energy: 1.1365738422286782
Energy: 1.0234087696076275
Energy: 1.1365738422286782
Energy: 1.0234087696076275

minimum gb energy = 0.9591209911285767 eV
minimum distance =  2.34473915804433 Angstroms
sigma value = 9


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

Energy: 1.106964776663
Energy: 0.9963832530010648
Energy: 1.106964776663
Energy: 0.9963832530010648
Energy: 1.1069647766529633
Energy: 0.9963832530010648
Energy: 1.0030991675019305
Energy: 1.0364147351173976
Energy: 1.0030991675027667
Energy: 1.0364147351182342
Energy: 1.0030991675019305
Energy: 1.0364147351182342
Energy: 1.114368612929472
Energy: 0.992307219755472
Energy: 1.114368612929472
Energy: 0.9923072197546355
Energy: 1.0573297169320408
Energy: 0.992307219755472
Energy: 0.9956250730778692
Energy: 1.0805977677086653
Energy: 0.9956250730778692
Energy: 1.0805977677086653
Energy: 0.9956250730778692
Energy: 1.0805977677078287
Energy: 1.0487970897358183
Energy: 0.9844766003846763
Energy: 1.0487970897358183
Energy: 0.9844766003855128
Energy: 1.0487970897366163
Energy: 0.9844766003855128
Energy: 1.0673622852422189
Energy: 0.9992478774010417
Energy: 1.0673622852489097
Energy: 0.9992478774002053
Energy: 1.0673622852397096
Energy: 0.9992478774010417
Energy: 0.9926570122027794
Energy: 1.1160550345842486
Energy: 0.9926570122027794
Energy: 1.116055034585921
Energy: 0.9926570122027794
Energy: 1.1160550345850848
Energy: 0.9896516175544167
Energy: 1.072877269492936
Energy: 0.9896516175535802
Energy: 1.0728772694954452
Energy: 0.9896516175535802
Energy: 1.072877269494609
Energy: 1.0993705450624782
Energy: 0.989019641169621
Energy: 1.0993705450624782
Energy: 0.9890196411704574
Energy: 1.0993705450616418
Energy: 0.9890196411721301
Energy: 0.995354916590251
Energy: 1.07061611316241
Energy: 0.9953549165894146
Energy: 1.0706161131615737
Energy: 0.995354916590251
Energy: 1.07061611316241
Energy: 1.0213909066688809
Energy: 1.031630110863157
Energy: 1.021390906669717
Energy: 1.0316301108623205
Energy: 1.0213909066705535
Energy: 1.0316301108623205
Energy: 1.0523022170019782
Energy: 0.9999789261119862
Energy: 1.0523022170003056
Energy: 0.9999789261119862
Energy: 1.052302216999469
Energy: 0.9999789261119862
Energy: 0.9903928305543811
Energy: 1.0653313072198392
Energy: 0.9903928305543811
Energy: 1.0653313072190027
Energy: 0.9903928305535449
Energy: 1.0653313072198392
Energy: 1.0728257916043749
Energy: 1.082814161772332
Energy: 1.0728257916043749
Energy: 1.0828141617731681
Energy: 1.0728257916043749
Energy: 1.0828141617731681
Energy: 1.1566285615702456
Energy: 0.9977136754541173
Energy: 1.156628561329485
Energy: 0.9977136754541173
Energy: 1.1566285602468795
Energy: 0.9977136754549538
Energy: 1.0651114315546126
Energy: 1.103089699469633
Energy: 1.065111431555449
Energy: 1.1030896994704695
Energy: 1.065111431555449
Energy: 1.1030896994704695
Energy: 1.0863785384623008
Energy: 1.0708624937159086
Energy: 1.0863785384614644
Energy: 1.0708624937159086
Energy: 1.0863785384623008
Energy: 1.0708624937167448
Energy: 1.2540421171765548
Energy: 1.0000200569684887
Energy: 1.2540421171765548
Energy: 1.0000200569592885
Energy: 1.2540421171773912
Energy: 1.000020056969325
Energy: 0.9944572696078395
Energy: 1.0732111914878664
Energy: 0.9944572696078395
Energy: 1.07321119148703
Energy: 0.994457269608676
Energy: 1.07321119148703
Energy: 1.0325584019085008
Energy: 1.0031492120294037
Energy: 1.032558401906828
Energy: 1.0031492120294037
Energy: 1.0325584019076643
Energy: 1.0031492120285674
Energy: 1.0466349155254417
Energy: 1.0020101505538892
Energy: 1.0466349155262784
Energy: 1.0020101505538892
Energy: 1.0466349155254417
Energy: 1.0020101505538892

minimum gb energy = 0.9844766003846763 eV
minimum distance =  2.33100785631641 Angstroms
sigma value = 27


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

Energy: 1.1002192047812962
Energy: 1.1060000744825476
Energy: 1.1002192047791812
Energy: 1.1060000744825476
Energy: 1.1002192047791812
Energy: 1.1060000744818426
Energy: 1.0888803739667214
Energy: 1.0463084825256053
Energy: 1.0888803739667214
Energy: 1.0463084825256053
Energy: 1.0888803739660162
Energy: 1.0463084825256053
Energy: 1.0522099594221817
Energy: 1.0632318708760884
Energy: 1.0522099594327567
Energy: 1.0632318708760884
Energy: 1.0522099594214769
Energy: 1.0632318708760884
Energy: 1.0733245119411106
Energy: 1.0456179810987503
Energy: 1.0733245119411106
Energy: 1.045617981098045
Energy: 1.0733245119397006
Energy: 1.0456179810994553
Energy: 1.0361574839883165
Energy: 1.0585272834264297
Energy: 1.0361574839883165
Energy: 1.0585272834264297
Energy: 1.0361574839883165
Energy: 1.0585272834257247
Energy: 1.0659623859547755
Energy: 1.0461481842682108
Energy: 1.0659623859547755
Energy: 1.0461481842682108
Energy: 1.0659623859547755
Energy: 1.0461481842682108
Energy: 1.0529226012314281
Energy: 1.0795939536592953
Energy: 1.052922601230723
Energy: 1.0795939536600003
Energy: 1.052922601230723
Energy: 1.0795939536592953
Energy: 1.0878142853292487
Energy: 1.0538633885280966
Energy: 1.0878142853285757
Energy: 1.0538633885288018
Energy: 1.087814285327871
Energy: 1.0538633885217517
Energy: 1.0401704603861837
Energy: 1.0466199496043267
Energy: 1.0401704603861837
Energy: 1.0466199496036217
Energy: 1.0401704603861837
Energy: 1.0466199496043267
Energy: 1.0467800151517312
Energy: 1.0332690933132873
Energy: 1.046780015152436
Energy: 1.0332690933132873
Energy: 1.0467800151517312
Energy: 1.0332690933139925
Energy: 1.0449953300483346
Energy: 1.0425553014593065
Energy: 1.0449953300476293
Energy: 1.0425553014571918
Energy: 1.0449953300483346
Energy: 1.0425553014571918
Energy: 1.038044285349122
Energy: 1.046193738298271
Energy: 1.038044285349122
Energy: 1.046193738297566
Energy: 1.038044285349122
Energy: 1.046193738298271
Energy: 1.0534225204160221
Energy: 1.0797085354016864
Energy: 1.0534225204160221
Energy: 1.0797085354023914
Energy: 1.0534225204188423
Energy: 1.0797085354016864
Energy: 1.0539086823668444
Energy: 1.0802079912858809
Energy: 1.0539086823661394
Energy: 1.0802079912858809
Energy: 1.0539086823661394
Energy: 1.0802079912858809
Energy: 1.067557144768239
Energy: 1.0454425181382825
Energy: 1.067557144768239
Energy: 1.0454425181382825
Energy: 1.067557144768944
Energy: 1.0454425181326426
Energy: 1.0453756227393456
Energy: 1.0581428307951977
Energy: 1.0453756227386408
Energy: 1.0581428307951977
Energy: 1.0453756227386408
Energy: 1.0581428307944927
Energy: 1.045913120696871
Energy: 1.0635438065071017
Energy: 1.045913120696166
Energy: 1.0635438065056915
Energy: 1.045913120695461
Energy: 1.0635438065063967
Energy: 1.0705260124021307
Energy: 1.0627906351044956
Energy: 1.0705260124028355
Energy: 1.0627906351044956
Energy: 1.0705260124028355
Energy: 1.0627906351044956
Energy: 1.0644330281625403
Energy: 1.0505913340831035
Energy: 1.0644330281632455
Energy: 1.0505913340831035
Energy: 1.0644330281625403
Energy: 1.0505913340838082
Energy: 1.1002192047798862
Energy: 1.1060000744832523
Energy: 1.1002192047798862
Energy: 1.1060000744825476
Energy: 1.1002192047805914
Energy: 1.1060000744832523
Energy: 1.0888803739660162
Energy: 1.0463084825249003
Energy: 1.0888803739653115
Energy: 1.0463084825256053
Energy: 1.0888803739653115
Energy: 1.0463084825256053
Energy: 1.0522099594214769
Energy: 1.0632318708760884
Energy: 1.0522099594264118
Energy: 1.0632318708760884
Energy: 1.0522099594250016
Energy: 1.0632318708760884
Energy: 1.0733245119425205
Energy: 1.045617981098045
Energy: 1.0733245119418156
Energy: 1.0456179810987503
Energy: 1.0733245119418156
Energy: 1.0456179810987503
Energy: 1.0361574839869068
Energy: 1.0585272834264297
Energy: 1.0361574839869068
Energy: 1.0585272834264297
Energy: 1.0361574839869068
Energy: 1.0585272834257247
Energy: 1.0659623859561855
Energy: 1.0461481842689158
Energy: 1.0659623859554803
Energy: 1.0461481842682108
Energy: 1.0659623859554803
Energy: 1.0461481842689158

minimum gb energy = 1.0332690933132873 eV
minimum distance =  2.3287776504175 Angstroms
sigma value = 19


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

Energy: 1.0088661044017813
Energy: 1.0229216523814082
Energy: 1.008866104400564
Energy: 1.0229216523814082
Energy: 1.0088661044017813
Energy: 1.0229216523814082
Energy: 1.0103513675435927
Energy: 1.0223324799242703
Energy: 1.0103513675435927
Energy: 1.0223324799248787
Energy: 1.0103513675435927
Energy: 1.0223324799248787
Energy: 1.0322040271890256
Energy: 1.0159522992647403
Energy: 1.0795685276183926
Energy: 1.0159522992647403
Energy: 1.0541077699906753
Energy: 1.0159522992647403
Energy: 1.0123109233835843
Energy: 0.9868624787263012
Energy: 1.0123109233835843
Energy: 0.9868624787269096
Energy: 1.012310923384193
Energy: 0.9868624787269096
Energy: 1.0201314845122946
Energy: 1.0130304217548391
Energy: 1.0201314845122946
Energy: 1.0130304217554478
Energy: 1.0201314845135119
Energy: 1.0130304217548391
Energy: 0.9978333647848695
Energy: 1.0127655732401444
Energy: 0.9978333647848695
Energy: 1.012765573240753
Energy: 0.997833364785478
Energy: 1.0127655732413614
Energy: 1.0273027451060361
Energy: 1.0226969326459354
Energy: 1.0273027451066448
Energy: 1.0226969326453268
Energy: 1.0273027451060361
Energy: 1.0226969326459354
Energy: 1.027018801167914
Energy: 1.035914197885647
Energy: 1.0270188011673054
Energy: 1.035914197886864
Energy: 1.0270188011673054
Energy: 1.035914197885647
Energy: 1.0786672348650026
Energy: 1.0176032065928824
Energy: 1.0786672348686266
Energy: 1.0176032065910567
Energy: 1.0786672348601343
Energy: 1.0176032065916654
Energy: 1.0159550842790017
Energy: 1.0110297843159155
Energy: 1.0159550842796101
Energy: 1.0110297843177414
Energy: 1.0159550842790017
Energy: 1.0110297843171325
Energy: 1.0126257698834158
Energy: 1.0782283849487018
Energy: 1.0126257698834158
Energy: 1.0782283849480934
Energy: 1.0126257698834158
Energy: 1.078228384947485
Energy: 1.0187298194757148
Energy: 1.0218532489418968
Energy: 1.0187298194757148
Energy: 1.0218532489418968
Energy: 1.0187298194751062
Energy: 1.0218532489425056
Energy: 0.9835217280192518
Energy: 1.0295623805871712
Energy: 0.9835217280186431
Energy: 1.029562380585954
Energy: 0.9835217280192518
Energy: 1.029562380585954
Energy: 1.0088462954302395
Energy: 0.9683318903894447
Energy: 1.0088462954314565
Energy: 0.9683318903906618
Energy: 1.008846295430848
Energy: 0.9683318903900532
Energy: 1.037363391856646
Energy: 1.005808706430295
Energy: 1.037363391856646
Energy: 1.005808706430295
Energy: 1.0373633918572545
Energy: 1.005808706430295
Energy: 1.0646779325446318
Energy: 1.01674241518648
Energy: 1.0646779325440232
Energy: 1.01674241518648
Energy: 1.0646779325452405
Energy: 1.0167424151858715
Energy: 1.0308891780997556
Energy: 1.0449128583076603
Energy: 1.0308891780997556
Energy: 1.044912858308269
Energy: 1.0308891780997556
Energy: 1.0449128583076603
Energy: 1.0417831927364054
Energy: 1.023586329053958
Energy: 1.0417831927370138
Energy: 1.0235863290515237
Energy: 1.0417831927364054
Energy: 1.023586329049698
Energy: 0.9969601454972016
Energy: 1.0135633727725568
Energy: 0.9969601454965931
Energy: 1.0135633727731652
Energy: 0.9969601454984186
Energy: 1.0135633727725568
Energy: 1.0147284610348786
Energy: 1.0089468061068558
Energy: 1.01472846103427
Energy: 1.0089468061068558
Energy: 1.01472846103427
Energy: 1.0089468061086817
Energy: 1.022093017685145
Energy: 1.035571691990666
Energy: 1.0220930176857534
Energy: 1.0355716919912745
Energy: 1.022093017685145
Energy: 1.0355716919918827
Energy: 1.0667580594160477
Energy: 1.0103123583033276
Energy: 1.066750673666639
Energy: 1.010312358302719
Energy: 1.0667190720503454
Energy: 1.010312358302719
Energy: 1.0212724052219422
Energy: 0.9997860899149987
Energy: 1.0212724052219422
Energy: 0.9997860899143903
Energy: 1.0212724052225508
Energy: 0.9997860899137817
Energy: 1.022257033376022
Energy: 1.0132005275150926
Energy: 1.0222570333766303
Energy: 1.0132005275150926
Energy: 1.0222570333772387
Energy: 1.0132005275138756
Energy: 1.005082804816095
Energy: 1.0108694524457127
Energy: 1.0050828048148777
Energy: 1.0108694524457127
Energy: 1.005082804816095
Energy: 1.01086945244693
Energy: 1.005472816313513
Energy: 1.0221014696805961
Energy: 1.0054728163122957
Energy: 1.0221014696805961
Energy: 1.0054728163129043
Energy: 1.0221014696793789
Energy: 1.0256964841739575
Energy: 1.005125064737889
Energy: 1.0256964841733491
Energy: 1.0051250647391061
Energy: 1.0256964841745662
Energy: 1.0051250647384977
Energy: 0.9783750085907337
Energy: 1.01214668786845
Energy: 0.978375008590125
Energy: 1.01214668786845
Energy: 0.9783750085907337
Energy: 1.0121466878641903
Energy: 1.033719100923174
Energy: 1.0141906166996615
Energy: 1.0337191009225657
Energy: 1.0141906166990529
Energy: 1.033719100923174
Energy: 1.01419061670027

minimum gb energy = 0.9683318903894447 eV
minimum distance =  2.31497504308753 Angstroms
sigma value = 101


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

Energy: 1.019248194747967
Energy: 0.9392870124380072
Energy: 1.0192481947452925
Energy: 0.9392870124380072
Energy: 1.019248194746362
Energy: 0.9392870124374723
Energy: 0.9920982075600557
Energy: 0.99432897416031
Energy: 0.992098207558451
Energy: 0.9943289741592402
Energy: 0.9920982075573811
Energy: 0.994328974160845
Energy: 0.9667230050027384
Energy: 1.0012717030303182
Energy: 0.9667230050032734
Energy: 1.0012717030303182
Energy: 0.9667230050059481
Energy: 1.0012717030292482
Energy: 0.9904526633874142
Energy: 1.0674149548168594
Energy: 0.9904526633874142
Energy: 1.0614076626724163
Energy: 0.9904526633874142
Energy: 0.9932913814939571
Energy: 0.9940497778031504
Energy: 0.9691970620360227
Energy: 0.9940497778031504
Energy: 0.9691970620349528
Energy: 0.9940497778036852
Energy: 0.9691970620354876
Energy: 0.9269864829750244
Energy: 0.997719249733827
Energy: 0.9269864829744896
Energy: 0.997719249733827
Energy: 0.9269864829744896
Energy: 0.9977192497322221
Energy: 0.99501923151059
Energy: 1.0005814500546664
Energy: 0.99501923151166
Energy: 1.0005814500557362
Energy: 0.9950192315127299
Energy: 1.0005814500546664
Energy: 0.9958197072840308
Energy: 1.104764022147289
Energy: 0.9958197072845657
Energy: 1.0835988905909262
Energy: 0.9958197072840308
Energy: 1.004918851963612
Energy: 0.928411012036036
Energy: 0.9958410445393855
Energy: 0.928411012036036
Energy: 0.9958410445388505
Energy: 0.9284110120365707
Energy: 0.9958410445388505
Energy: 0.993395346366992
Energy: 0.9845857882381137
Energy: 0.9933953463648522
Energy: 0.9886154271409998
Energy: 0.993395346365922
Energy: 0.9932216119547692
Energy: 0.994511868237251
Energy: 1.1698318643935346
Energy: 0.9945118682383208
Energy: 1.1698318643940695
Energy: 0.994511868236716
Energy: 1.169831864393
Energy: 0.9867736037488329
Energy: 0.9962845662076635
Energy: 0.9867736037504378
Energy: 0.9962845662076635
Energy: 0.986773603749368
Energy: 0.9962845662060587
Energy: 0.9177396885405452
Energy: 0.9984672365242752
Energy: 0.9177396885416153
Energy: 0.9984672365248103
Energy: 0.9177396885416153
Energy: 0.998467236525345
Energy: 0.9925838380264927
Energy: 1.1107648167962285
Energy: 0.9925838380280976
Energy: 1.1971379964295485
Energy: 0.9925838380264927
Energy: 1.0107623237116619
Energy: 0.9906275927845286
Energy: 0.9659226700068337
Energy: 0.9906275927866682
Energy: 0.9659226700073686
Energy: 0.9906275927855984
Energy: 0.9659226700084385
Energy: 0.9863528653672723
Energy: 0.9979376420715317
Energy: 0.9863528653662024
Energy: 0.9979376420742062
Energy: 0.9863528653656675
Energy: 0.9979376420736714
Energy: 0.9906758444075218
Energy: 1.0089418819085982
Energy: 0.9906758444064518
Energy: 1.0089418819085982
Energy: 0.9906758444064518
Energy: 1.0089418819096685
Energy: 0.9957035250679223
Energy: 0.9154666604774051
Energy: 0.9957035250673874
Energy: 0.9154666604768704
Energy: 0.9957035250689922
Energy: 0.9154666604768704
Energy: 0.9260785061171201
Energy: 0.9961013131853133
Energy: 0.926078506117655
Energy: 0.9961013131853133
Energy: 0.926078506117655
Energy: 0.9961013131853133
Energy: 1.0005835052924652
Energy: 0.9499395803331404
Energy: 1.0005835052924652
Energy: 0.9499395803331404
Energy: 1.0005835052924652
Energy: 0.9499395803336754
Energy: 1.0045961090743536
Energy: 1.1018161602870455
Energy: 1.004596109073819
Energy: 1.1018161602865104
Energy: 1.0045961090743536
Energy: 1.1018161602859753
Energy: 0.9642822041387722
Energy: 0.9969347339139885
Energy: 0.9642822041387722
Energy: 0.9969347339145234
Energy: 0.9642822041392585
Energy: 0.9969347339145234
Energy: 0.9921898155331751
Energy: 0.9979757626246736
Energy: 0.9921898155310355
Energy: 0.9979757626236038
Energy: 0.9921898155326403
Energy: 0.9979757626241386
Energy: 0.9904911204913993
Energy: 1.1485513293748724
Energy: 0.9904911204913993
Energy: 1.1485513293764773
Energy: 0.9904911204913993
Energy: 1.1485513293748724
Energy: 1.0040822670541887
Energy: 1.0058554041066052
Energy: 1.0040822670552585
Energy: 1.0058554041071401
Energy: 1.0040822670557936
Energy: 1.0058554041076753
Energy: 0.9183652836797643
Energy: 0.9979537068708528
Energy: 0.9183652836792293
Energy: 0.9979537068713876
Energy: 0.9183652836792293
Energy: 0.9979537068713876
Energy: 0.995713483208483
Energy: 1.0045193695893424
Energy: 0.9957134832090178
Energy: 1.0045193695877377
Energy: 0.9957134832090178
Energy: 1.0045193695888077
Energy: 0.9962591709368463
Energy: 0.9681225712632692
Energy: 0.9962591709373811
Energy: 0.968122571264339
Energy: 0.9962591709373811
Energy: 0.9681225712627342
Energy: 1.1313343871053911
Energy: 0.9960359637723107
Energy: 1.1313343871053911
Energy: 0.9960359637723107
Energy: 1.1313343871048562
Energy: 0.9960359637717758
Energy: 0.9949318091813933
Energy: 0.9671368828394886
Energy: 0.9949318091792537
Energy: 0.9671368828341392
Energy: 0.9949318091792537
Energy: 0.9671368828314643
Energy: 0.9910742496851436
Energy: 0.949351984955288
Energy: 0.9910742496851436
Energy: 0.9493519849547531
Energy: 0.9910742496851436
Energy: 0.9493519849558232
Energy: 0.9885132955337075
Energy: 0.9944667904716128
Energy: 0.9885132955363823
Energy: 0.9944667904710779
Energy: 0.988513295537987
Energy: 0.9944667904710779
Energy: 0.991309330552099
Energy: 0.9960807636688864
Energy: 0.991309330554725
Energy: 0.9960807636688864
Energy: 0.991309330554725
Energy: 0.9960807636688864

minimum gb energy = 0.9154666604768704 eV
minimum distance =  2.32650416852862 Angstroms
sigma value = 33


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

Energy: 0.01859245890245499
Energy: 0.7432705065075271
Energy: 0.01859245890245499
Energy: 0.7432705065070826
Energy: 0.01859245890245499
Energy: 0.7432705065070826
Energy: 0.019035706747653237
Energy: -0.5190415137847143
Energy: 0.0190357067480977
Energy: -0.5190415137838253
Energy: 0.019035706747653237
Energy: -0.5190415137833809
Energy: 0.7431800725362143
Energy: -0.5189293899617283
Energy: 0.7432331964999229
Energy: -0.5189293899612838
Energy: 0.7432178886121276
Energy: -0.5189293899612838
Energy: 0.019035706747653237
Energy: -0.5190415137838253
Energy: 0.019035706747653237
Energy: -0.5190415137842698
Energy: 0.0190357067480977
Energy: -0.5190415137842698

minimum gb energy = -0.5190415137847143 eV
minimum distance =  2.46773771032907 Angstroms
sigma value = 1