Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589553117748
cohesive_energy=6.81053564033844
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.017388614177096078
Energy: 0.017557667697486144
Energy: 1.556875216868267
Energy: 0.01755766769790008
Energy: 0.017388614177096078
Energy: 0.017557667697486144
Energy: 0.017557667697486144
Energy: 6.090376572781169
Energy: 0.01755766769790008
Energy: 6.090376572781169
Energy: 0.017557667697486144
Energy: 4.499899679059816
Energy: 1.556875216868267
Energy: 0.01755766769790008
Energy: 0.017388614177096078
Energy: 0.017557667697486144
Energy: 1.556875216868267
Energy: 0.01755766769790008
Energy: 0.017557667697486144
Energy: 6.090376572781169
Energy: 0.017557667697486144
Energy: 4.6934179893736125
Energy: 0.017557667697486144
Energy: 6.090376572780754
Energy: 0.017388614177096078
Energy: 0.017557667697486144
Energy: 1.556875216868267
Energy: 0.017557667697486144
Energy: 0.017388614177096078
Energy: 0.01755766769790008
Energy: 0.01755766769790008
Energy: 4.499899679058989
Energy: 0.017557667697486144
Energy: 6.090376572781169
Energy: 0.017557667697486144
Energy: 4.499899679059403

minimum gb energy = 0.017388614177096078 eV
minimum distance =  2.57519015477934 Angstroms
sigma value = 1


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

Energy: 1.8784542682254204
Energy: 1.8070586611242658
Energy: 2.0197580984189614
Energy: 1.8070586611232695
Energy: 1.8784542682264165
Energy: 1.8070586611242658
Energy: 1.966276100284781
Energy: 1.7854270729163193
Energy: 2.2579539917631033
Energy: 1.7854270728844346
Energy: 1.966276100283785
Energy: 1.7854270729701243
Energy: 1.8531683768586986
Energy: 1.7898619141440502
Energy: 1.8479850927086112
Energy: 1.7898619141440502
Energy: 1.8531683768586986
Energy: 1.7898619141440502
Energy: 1.8929220948904355
Energy: 1.832148798180661
Energy: 2.1023066525030134
Energy: 1.8321487981816575
Energy: 1.892922094891432
Energy: 1.8321487981816575
Energy: 1.8924621947153688
Energy: 1.8726837077673757
Energy: 1.8922142843557161
Energy: 1.8726837077673757
Energy: 1.892462194716365
Energy: 1.8726837077663792
Energy: 1.8357448759521333
Energy: 1.8041200778142805
Energy: 1.9007822128165062
Energy: 1.8041200778152768
Energy: 1.8357448759501407
Energy: 1.8041200778142805
Energy: 1.8364060834103477
Energy: 1.8107705048388556
Energy: 1.8566655492265371
Energy: 1.8107705048408482
Energy: 1.8364060834103477
Energy: 1.810770504837859
Energy: 2.083301619606199
Energy: 1.810507569279326
Energy: 2.287173679846658
Energy: 1.810507569279326
Energy: 2.0833016196071954
Energy: 1.810507569279326
Energy: 1.9831072643912904
Energy: 1.755330633182388
Energy: 2.2832533334969165
Energy: 1.7553306331833844
Energy: 1.9831072643912904
Energy: 1.755330633182388
Energy: 1.8383106970127912
Energy: 1.786198859862833
Energy: 1.8698697140519902
Energy: 1.7861988598658225
Energy: 1.8383106970117946
Energy: 1.7861988598618368
Energy: 1.9554865403972888
Energy: 1.8035590572275813
Energy: 2.2559418087324694
Energy: 1.8035590572614129
Energy: 1.9554865402847417
Energy: 1.8035590572016749
Energy: 1.9120162038157191
Energy: 1.8093631539408015
Energy: 1.9120618854590463
Energy: 1.8093631539398054
Energy: 1.9120162038157191
Energy: 1.8093631539408015
Energy: 2.253184622114376
Energy: 1.8035590573401283
Energy: 1.9730373797191663
Energy: 1.8035590573122293
Energy: 2.2531846221153726
Energy: 1.8035590573689781
Energy: 1.8676543565518138
Energy: 1.7929045026280142
Energy: 1.8379857152738284
Energy: 1.7929045026280142
Energy: 1.8676543565518138
Energy: 1.7929045026280142
Energy: 2.283354991824588
Energy: 1.7552578941254156
Energy: 1.9921262020488335
Energy: 1.7552578941254156
Energy: 2.2833549918225953
Energy: 1.7552578941254156
Energy: 2.2871743037765526
Energy: 1.8109029306992728
Energy: 1.9441230630686208
Energy: 1.8109029307002693
Energy: 2.287174303775556
Energy: 1.8109029306992728
Energy: 1.8598046891832958
Energy: 1.8194880303367322
Energy: 1.8766444767014936
Energy: 1.8194880303387249
Energy: 1.8598046891832958
Energy: 1.8194880303367322
Energy: 1.8999090584682814
Energy: 1.784861255905042
Energy: 2.154082751047282
Energy: 1.784861255905042
Energy: 1.8999090584682814
Energy: 1.7848612559060384
Energy: 1.8921162255123414
Energy: 1.8709727287557636
Energy: 1.892370379735365
Energy: 1.8709727287567601
Energy: 1.8921162255123414
Energy: 1.8709727287567601
Energy: 2.0854882583081737
Energy: 1.75455750284256
Energy: 1.9977785831625103
Energy: 1.7545575028445526
Energy: 2.085488258307177
Energy: 1.7545575028415636
Energy: 1.8355872344794184
Energy: 1.789942080737211
Energy: 1.8528663880707894
Energy: 1.789942080737211
Energy: 1.8355872344784223
Energy: 1.789942080737211
Energy: 2.256663563239431
Energy: 1.7862884855810772
Energy: 1.9557674926918733
Energy: 1.7862884855781336
Energy: 2.256663563241424
Energy: 1.7862884855850627
Energy: 1.9807911368749487
Energy: 1.8070586611242658
Energy: 1.8784542682264165
Energy: 1.8070586611242658
Energy: 1.9807911368749487
Energy: 1.8070586611242658

minimum gb energy = 1.7545575028415636 eV
minimum distance =  2.39035306206046 Angstroms
sigma value = 33


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

Energy: 2.421805124505479
Energy: 1.9451902576011222
Energy: 2.115690828116096
Energy: 1.9451902581704428
Energy: 2.421805124505479
Energy: 1.9451902596863813
Energy: 2.20742563345615
Energy: 1.829029481129661
Energy: 2.1987199984149455
Energy: 1.829029308021305
Energy: 2.2074256334538824
Energy: 1.8290289287917234
Energy: 1.8913908938228736
Energy: 1.9373439115294584
Energy: 2.0390361046948446
Energy: 1.9373439115521278
Energy: 1.8913908938228736
Energy: 1.9373439115181235
Energy: 1.9656343761399238
Energy: 1.8281662989604401
Energy: 2.345123502970889
Energy: 1.828166298959307
Energy: 1.9656343761404904
Energy: 1.82816629895874
Energy: 2.027266163199553
Energy: 1.8644561448927066
Energy: 2.044293535704943
Energy: 1.864456144934079
Energy: 2.027266163196152
Energy: 1.8644561446032546
Energy: 2.397624939130538
Energy: 1.8713813525136263
Energy: 1.9345819972304659
Energy: 1.8713813525141931
Energy: 2.3976249391299715
Energy: 1.8713813525158935
Energy: 2.3565718164652685
Energy: 1.8332634267255625
Energy: 2.1328319882735447
Energy: 1.8332634266207664
Energy: 2.3565718164652685
Energy: 1.8332634266338013
Energy: 1.9582230191088177
Energy: 1.9143973482719727
Energy: 2.32693413705494
Energy: 1.9143973482731063
Energy: 1.9582230191088177
Energy: 1.9143973482719727
Energy: 1.9975402506141648
Energy: 1.8165193220977995
Energy: 2.3528851086925595
Energy: 1.8165193220977995
Energy: 1.9975402506141648
Energy: 1.8165193220983662
Energy: 1.906699512209999
Energy: 1.9382311091799738
Energy: 1.9727106330817752
Energy: 1.9382311091805404
Energy: 1.906699512209999
Energy: 1.9382311091805404
Energy: 2.0553236659410254
Energy: 2.007740382753652
Energy: 2.2937598519761595
Energy: 2.007740382753652
Energy: 2.055323665964262
Energy: 2.007740382753652
Energy: 2.0457926768203434
Energy: 1.8707346972439438
Energy: 1.9669977287735325
Energy: 1.8707346972439438
Energy: 2.0457926768209105
Energy: 1.870734697244511
Energy: 2.164928954742808
Energy: 1.7978508919983478
Energy: 2.538244375464767
Energy: 1.7978508919972145
Energy: 2.1649289547433748
Energy: 1.7978508919989147
Energy: 1.9895984472191535
Energy: 1.955581358329998
Energy: 2.250093295833883
Energy: 1.9555813583328314
Energy: 1.989598447218587
Energy: 1.9555813583322648
Energy: 2.0396297989319554
Energy: 1.9010714428641333
Energy: 2.1469048982557117
Energy: 1.9010714429796978
Energy: 2.039629801437533
Energy: 1.9010714428381144
Energy: 2.044583444637808
Energy: 1.8750276207043037
Energy: 1.9448163443607744
Energy: 1.8750276214311279
Energy: 2.044583444651977
Energy: 1.8750276211331747
Energy: 2.0492171992431194
Energy: 1.8946040885174738
Energy: 1.918446640899017
Energy: 1.8946040885220081
Energy: 2.049217199250487
Energy: 1.8946040885203077
Energy: 2.070914814793035
Energy: 1.8552758967168992
Energy: 2.159676997538941
Energy: 1.8552758967519862
Energy: 2.0709148147919016
Energy: 1.8552758966851617
Energy: 1.9174005624906192
Energy: 1.9542773555980801
Energy: 2.3065844884769464
Energy: 1.9542773555980801
Energy: 1.9174005624900525
Energy: 1.9542773555980801
Energy: 1.971898848093294
Energy: 1.8153330437836848
Energy: 2.4025854839689007
Energy: 1.8153330437825514
Energy: 1.971898848120498
Energy: 1.8153330437819846
Energy: 2.0791683207950595
Energy: 1.9649583624536107
Energy: 2.0234488683517595
Energy: 1.9649583625714422
Energy: 2.079168320795626
Energy: 1.9649583623414466
Energy: 2.109515218746178
Energy: 1.8561276678157392
Energy: 2.384991743382665
Energy: 1.8561276674905307
Energy: 2.109515218743345
Energy: 1.8561276684598185
Energy: 1.9077314081708094
Energy: 1.8700860622417894
Energy: 1.9784843554949922
Energy: 1.8700860622423559
Energy: 1.9077314081708094
Energy: 1.8700860622417894
Energy: 2.0523992163987614
Energy: 1.8226228159391693
Energy: 2.460597728186385
Energy: 1.822622815940303
Energy: 2.052399216399328
Energy: 1.8226228159431366
Energy: 1.963561373376683
Energy: 1.916262737402772
Energy: 2.0659108430293407
Energy: 1.9162627374033387
Energy: 1.9635613733806503
Energy: 1.916262737401072
Energy: 2.4707906773646604
Energy: 2.006262682070013
Energy: 1.9749533360870464
Energy: 2.006262682071713
Energy: 2.4707906773646604
Energy: 2.006262682070013
Energy: 2.4236784450859674
Energy: 1.8793630020496876
Energy: 2.000949509865905
Energy: 1.8793630020445866
Energy: 2.4236784450854008
Energy: 1.8793630020553551
Energy: 2.0050771631713133
Energy: 1.8642916640723879
Energy: 2.0330281293821915
Energy: 1.8642916640712544
Energy: 2.005077163162812
Energy: 1.8642916640723879
Energy: 2.138214556962493
Energy: 1.8292894398511002
Energy: 2.4795881011765544
Energy: 1.8292894395299106
Energy: 2.13821455696476
Energy: 1.8292894399621304
Energy: 1.9001528285664815
Energy: 1.8872583898602933
Energy: 2.044811404763729
Energy: 1.8872583898614268
Energy: 1.9001528285659146
Energy: 1.8872583898597266
Energy: 2.0257555106898395
Energy: 1.856127672585049
Energy: 2.3257494659007487
Energy: 1.856127671791349
Energy: 2.0257555105759755
Energy: 1.8561276731752876
Energy: 2.077361424841169
Energy: 1.950036655782639
Energy: 2.008110986075272
Energy: 1.9500366557724889
Energy: 2.077361424841169
Energy: 1.9500366557922733
Energy: 2.044863773048705
Energy: 1.816281885438979
Energy: 2.445336468353569
Energy: 1.8162818854406793
Energy: 2.044863772394991
Energy: 1.8162818854401124
Energy: 1.9355148418737078
Energy: 1.869093356239954
Energy: 2.1997664511467208
Energy: 1.8690933562393872
Energy: 1.9355148418737078
Energy: 1.8690933562393872
Energy: 2.059059370003784
Energy: 1.8626766819594522
Energy: 2.2572991560276514
Energy: 1.8626766819571847
Energy: 2.0590593700207345
Energy: 1.8626766819611524
Energy: 2.0585554190979196
Energy: 1.8261248116878799
Energy: 1.9099354538052329
Energy: 1.8261248116907136
Energy: 2.058555419098486
Energy: 1.8261248116873134
Energy: 2.2402405760929387
Energy: 1.8905878162695102
Energy: 1.947339011840756
Energy: 1.8905878162683767
Energy: 2.2402405760929387
Energy: 1.890587816270077
Energy: 2.069251228413219
Energy: 1.8932667045277216
Energy: 2.226772719398895
Energy: 1.8932667045265879
Energy: 2.0692512284115185
Energy: 1.8932667045294216
Energy: 2.0523464938701674
Energy: 1.9307013562545647
Energy: 2.253938458260638
Energy: 1.9307013562551314
Energy: 2.0523464938701674
Energy: 1.9307013562551314
Energy: 2.15489811091255
Energy: 1.7953030592115962
Energy: 2.3381254142844954
Energy: 1.7953030592110295
Energy: 2.1548981109119834
Energy: 1.7953030592115962
Energy: 2.045703334204685
Energy: 1.905726978535948
Energy: 1.9533232731544956
Energy: 1.905726978535948
Energy: 2.0457033342041178
Energy: 1.9057269785353812

minimum gb energy = 1.7953030592110295 eV
minimum distance =  2.26779217581994 Angstroms
sigma value = 51


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

Energy: 1.9828001903673107
Energy: 1.7972733227422197
Energy: 2.254485814507884
Energy: 1.7972733227409066
Energy: 1.9828001903673107
Energy: 1.7972733227422197
Energy: 2.045057942218434
Energy: 2.193841868988703
Energy: 2.5470064395788232
Energy: 2.193841868988703
Energy: 2.045057942218434
Energy: 2.193841868988703
Energy: 1.9130002999905356
Energy: 1.7969341454615653
Energy: 2.0713868657890324
Energy: 1.7969341454615653
Energy: 1.9130002999905356
Energy: 1.7969341454615653
Energy: 1.8943220173036883
Energy: 1.737964589901522
Energy: 2.5444965258748744
Energy: 1.737964589902835
Energy: 1.8943220173036883
Energy: 1.737964589902835
Energy: 1.9374598955789764
Energy: 1.7353982081714132
Energy: 2.0713288014626774
Energy: 1.7353982081727264
Energy: 1.9374598955802895
Energy: 1.7353982081727264
Energy: 2.060354072815702
Energy: 1.7369586951868774
Energy: 2.3051080592130275
Energy: 1.7369586951881903
Energy: 2.060354072815702
Energy: 1.7369586951881903
Energy: 2.2652899122998518
Energy: 1.7368227412548072
Energy: 2.347936576582894
Energy: 1.7368227412561204
Energy: 2.265289912437672
Energy: 1.7368227412548072
Energy: 1.914705511006573
Energy: 1.7369606815418728
Energy: 2.0238298626662896
Energy: 1.736960681543186
Energy: 1.9147055110052598
Energy: 1.736960681543186
Energy: 2.5993207378734713
Energy: 1.8865117323214737
Energy: 1.9150145192567
Energy: 1.8865117323214737
Energy: 2.5993207378734713
Energy: 1.8865117323214737
Energy: 1.9031894964227938
Energy: 1.7955880002799696
Energy: 2.0238398556810155
Energy: 1.7955880002799696
Energy: 1.9031894964227938
Energy: 1.7955880002799696
Energy: 2.4054900884352635
Energy: 1.7333935175241202
Energy: 2.3227736146762017
Energy: 1.7333935175241202
Energy: 2.4054900884352635
Energy: 1.7333935175241202
Energy: 2.000419953434633
Energy: 1.7955348654891543
Energy: 2.1578989440973397
Energy: 1.7955348654891543
Energy: 2.000419953434633
Energy: 1.7955348654891543
Energy: 1.9772276942702662
Energy: 1.7531593469147468
Energy: 2.3156750872713636
Energy: 1.7531593469108073
Energy: 1.9772276942702662
Energy: 1.75315934691606
Energy: 1.9048400236852203
Energy: 1.794228172392248
Energy: 2.0714496717349196
Energy: 1.794228172392248
Energy: 1.9048400236852203
Energy: 1.794228172392248
Energy: 1.913065713663133
Energy: 1.791989743542034
Energy: 2.072293289807381
Energy: 1.791989743542034
Energy: 1.913065713663133
Energy: 1.791989743542034
Energy: 2.000012824689368
Energy: 1.739237210372373
Energy: 2.0719821101432823
Energy: 1.739237210372373
Energy: 2.000012824689368
Energy: 1.739237210372373
Energy: 1.9979289154311415
Energy: 1.7917175294257595
Energy: 2.141729908853197
Energy: 1.7917175294257595
Energy: 1.9979289154311415
Energy: 1.7917175294257595
Energy: 2.5175507162491075
Energy: 1.7422480538352574
Energy: 2.3230328478797277
Energy: 1.7422480538365706
Energy: 2.5175507162491075
Energy: 1.7422480538365706

minimum gb energy = 1.7333935175241202 eV
minimum distance =  2.2278723949885 Angstroms
sigma value = 19


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

Energy: 2.184739877931272
Energy: 1.866641540554423
Energy: 2.284712830478002
Energy: 1.866641540554423
Energy: 2.184739877931272
Energy: 1.8666415405559809
Energy: 2.1096266428138613
Energy: 1.8668166047261234
Energy: 2.1126283617095436
Energy: 1.8668166046373624
Energy: 2.1096266428138613
Energy: 1.866816604770486
Energy: 1.8781001701003321
Energy: 1.8531173614788599
Energy: 1.942334451226653
Energy: 1.8531173614788599
Energy: 1.8781001700995534
Energy: 1.8531173614788599
Energy: 1.945887359624429
Energy: 1.8220293333675455
Energy: 2.293432945676843
Energy: 1.8220293333675455
Energy: 1.9458873596252082
Energy: 1.8220293333675455
Energy: 1.9369578948935493
Energy: 1.8516377851036914
Energy: 2.174685205714642
Energy: 1.8516377851036914
Energy: 1.9369578948935493
Energy: 1.8516377851036914
Energy: 2.181610667093724
Energy: 1.8507940112490853
Energy: 1.9402250405727453
Energy: 1.8507940112475274
Energy: 2.181610667094503
Energy: 1.8507940112490853
Energy: 2.3803572042924643
Energy: 1.822263144576934
Energy: 1.9663219513651458
Energy: 1.8222631445777124
Energy: 2.3803572042924643
Energy: 1.8222631445777124
Energy: 1.9418198250702754
Energy: 1.8536354424221981
Energy: 1.9003569697361082
Energy: 1.8536354424229768
Energy: 1.9418198250710539
Energy: 1.8536354424229768
Energy: 2.1121989481222525
Energy: 1.8600924278917916
Energy: 2.1097616688171157
Energy: 1.8600924278925708
Energy: 2.112198948121473
Energy: 1.8600924278917916
Energy: 2.284712830478002
Energy: 1.8666415405552017
Energy: 2.184739877931272
Energy: 1.866641540554423
Energy: 2.284712830478002
Energy: 1.866641540554423
Energy: 2.1126283617111015
Energy: 1.8668166046965244
Energy: 2.1096266428138613
Energy: 1.8668166047790544
Energy: 2.1126283617095436
Energy: 1.8668166046599155
Energy: 1.9423344512258742
Energy: 1.8531173614788599
Energy: 1.8781001700995534
Energy: 1.8531173614796386
Energy: 1.942334451225095
Energy: 1.8531173614788599
Energy: 2.2934329457469103
Energy: 1.8220293333675455
Energy: 1.945887359624429
Energy: 1.8220293333675455
Energy: 2.2934329457928304
Energy: 1.8220293333683246
Energy: 2.1746852057154205
Energy: 1.8516377851036914
Energy: 1.9369578948927701
Energy: 1.8516377851029122
Energy: 2.1746852057154205
Energy: 1.8516377851036914
Energy: 1.9402250405711874
Energy: 1.8507940112483066
Energy: 2.181610667094503
Energy: 1.8507940112490853
Energy: 1.9402250405727453
Energy: 1.8507940112483066
Energy: 1.966321951365925
Energy: 1.8222631445777124
Energy: 2.3803572042924643
Energy: 1.8222631445777124
Energy: 1.9663219513651458
Energy: 1.8222631445777124
Energy: 1.9003569697368874
Energy: 1.8536354424221981
Energy: 1.9418198250679384
Energy: 1.8536354424221981
Energy: 1.9003569697368874
Energy: 1.8536354424221981
Energy: 2.1097616688171157
Energy: 1.8600924278925708
Energy: 2.1121989481206946
Energy: 1.8600924278917916
Energy: 2.1097616688171157
Energy: 1.8600924278925708
Energy: 2.184739877931272
Energy: 1.866641540553644
Energy: 2.284712830478002
Energy: 1.866641540554423
Energy: 2.184739877931272
Energy: 1.8666415405552017
Energy: 2.1096266428138613
Energy: 1.8668166047525714
Energy: 2.112628361710322
Energy: 1.8668166047011983
Energy: 2.1096266428138613
Energy: 1.8668166048016428
Energy: 1.8781001701003321
Energy: 1.8531173614788599
Energy: 1.942334451225095
Energy: 1.8531173614788599
Energy: 1.8781001700995534
Energy: 1.8531173614788599
Energy: 1.945887359624429
Energy: 1.8220293333675455
Energy: 2.293432945702512
Energy: 1.8220293333675455
Energy: 1.9458873596252082
Energy: 1.8220293333675455
Energy: 1.9369578948927701
Energy: 1.8516377851029122
Energy: 2.1746852057154205
Energy: 1.8516377851021335
Energy: 1.9369578948919914
Energy: 1.8516377851036914
Energy: 2.181610667094503
Energy: 1.8507940112475274
Energy: 1.9402250405735237
Energy: 1.8507940112475274
Energy: 2.181610667094503
Energy: 1.8507940112475274
Energy: 2.3803572042924643
Energy: 1.8222631445777124
Energy: 1.97873610412144
Energy: 1.8222631445777124
Energy: 2.3803572042916854
Energy: 1.8222631445777124
Energy: 1.9418198250710539
Energy: 1.8536354424229768
Energy: 1.9003569697361082
Energy: 1.8536354424221981
Energy: 1.9418198250679384
Energy: 1.8536354424221981
Energy: 2.1121989481222525
Energy: 1.8600924278925708
Energy: 2.1097616688171157
Energy: 1.8600924278917916
Energy: 2.112198948121473
Energy: 1.8600924278917916
Energy: 2.284712830478002
Energy: 1.866641540553644
Energy: 2.184739877931272
Energy: 1.866641540553644
Energy: 2.284712830478002
Energy: 1.866641540554423
Energy: 2.1126283617087647
Energy: 1.8668166047089871
Energy: 2.1096266428138613
Energy: 1.866816604780612
Energy: 2.1126283617095436
Energy: 1.8668166046661467
Energy: 1.942334451227432
Energy: 1.8531173614788599
Energy: 1.8781001700995534
Energy: 1.8531173614796386
Energy: 1.942334451225095
Energy: 1.8531173614788599

minimum gb energy = 1.8220293333675455 eV
minimum distance =  2.24710015427754 Angstroms
sigma value = 27


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

Energy: 2.0783312138756305
Energy: 1.9063636033960465
Energy: 2.371349590980339
Energy: 1.9063636033960465
Energy: 2.0783312138756305
Energy: 1.9063636033960465
Energy: 1.672318104058932
Energy: 2.0727809798069075
Energy: 2.0746564530411264
Energy: 2.072780982945999
Energy: 1.672318104062748
Energy: 2.072780978550134
Energy: 1.8979250620987158
Energy: 1.979788609125594
Energy: 1.9688913815254365
Energy: 1.979788609125594
Energy: 1.8979250620987158
Energy: 1.979788609125594
Energy: 2.014551743745184
Energy: 1.6870231786808538
Energy: 1.7245514525631362
Energy: 1.6870231786808538
Energy: 2.014551743745184
Energy: 1.6870231786808538
Energy: 1.962074244082138
Energy: 1.681532901775375
Energy: 2.150392251003233
Energy: 1.681532901775375
Energy: 1.962074244084046
Energy: 1.681532901775375
Energy: 1.9095037035778368
Energy: 2.1662641407112044
Energy: 1.9898032500026566
Energy: 2.1662641407112044
Energy: 1.9095037035759719
Energy: 2.1662641407112044
Energy: 2.165128242354646
Energy: 1.9446940771200756
Energy: 1.9260106228725207
Energy: 1.94469407925793
Energy: 2.165128242354646
Energy: 1.9446940760292075
Energy: 2.3062374777929397
Energy: 1.9004406432361012
Energy: 2.0082451811100106
Energy: 1.9004406432341931
Energy: 2.306237477791032
Energy: 1.9004406432341931
Energy: 2.13896305962553
Energy: 1.8558176415744707
Energy: 1.861264475287898
Energy: 1.8558176415744707
Energy: 2.13896305962553
Energy: 1.8558176415744707
Energy: 1.899260284544267
Energy: 1.9931402876472235
Energy: 1.9152746598587367
Energy: 1.9931402876472235
Energy: 1.899260284544267
Energy: 1.9931402876453157
Energy: 2.3200756361448964
Energy: 1.6817984927053986
Energy: 1.7223188367515172
Energy: 1.6817984927053986
Energy: 2.3200756361448964
Energy: 1.6817984927053986
Energy: 1.9633653220872838
Energy: 1.6812892439330733
Energy: 2.009468937581303
Energy: 1.6812892439330733
Energy: 1.9633653220872838
Energy: 1.6812892439330733

minimum gb energy = 1.672318104058932 eV
minimum distance =  2.33824675853508 Angstroms
sigma value = 9


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

Energy: 2.291234938326092
Energy: 2.14361822532815
Energy: 2.1490622623297124
Energy: 2.1436182253286864
Energy: 2.291234938326092
Energy: 2.1436182253286864
Energy: 2.227319322609884
Energy: 1.89043631692677
Energy: 2.0842354982024123
Energy: 1.9245704954345835
Energy: 2.2273193226114927
Energy: 1.8904363169283784
Energy: 1.8142160881372689
Energy: 2.15246358898175
Energy: 2.0745772859066722
Energy: 2.1524635888670764
Energy: 1.8142160881372689
Energy: 2.152463589157002
Energy: 1.7861730539763383
Energy: 1.901450276325384
Energy: 1.9151995640430972
Energy: 1.9014502762428753
Energy: 1.7861730539752663
Energy: 1.9014502763350334
Energy: 1.7823782436883342
Energy: 1.9558594079041467
Energy: 2.2055497684700676
Energy: 1.9558594079041467
Energy: 1.7823782436883342
Energy: 1.9558594079041467
Energy: 1.7511112823185238
Energy: 1.8349122505950024
Energy: 2.03894286541169
Energy: 1.9469792181656695
Energy: 1.7511112823195958
Energy: 1.8349122505955384
Energy: 2.1371863593443248
Energy: 2.0433443379679255
Energy: 1.9932949201600763
Energy: 2.0433443379668534
Energy: 2.1371863593432527
Energy: 2.0433443379673895
Energy: 1.9753566456005571
Energy: 1.9075515727665242
Energy: 2.172384033144284
Energy: 1.9075515727665242
Energy: 1.9753566456005571
Energy: 1.90755157276706
Energy: 2.027145762923166
Energy: 2.0084023278778043
Energy: 2.0987382499745033
Energy: 2.0084023278783407
Energy: 2.0271457629226304
Energy: 2.0084023278772682
Energy: 1.9919016119775952
Energy: 2.1275009767529447
Energy: 1.8321970197734283
Energy: 2.127500976751872
Energy: 1.9919016119770592
Energy: 2.127500976751872
Energy: 2.079806440694378
Energy: 2.010938245809665
Energy: 1.9582620413820124
Energy: 2.010938245808593
Energy: 2.0798064408288868
Energy: 2.010938245809129
Energy: 1.8307815524429805
Energy: 2.0149540748608046
Energy: 1.8581905659868823
Energy: 2.014954074862413
Energy: 1.8307815524419082
Energy: 2.0149540748602686
Energy: 1.8444809934415136
Energy: 2.11665265222211
Energy: 1.9310806168763084
Energy: 2.116652652220501
Energy: 1.8444809934415136
Energy: 2.116652652220501
Energy: 2.142489189896056
Energy: 2.0593015711866904
Energy: 2.2920829583974056
Energy: 2.0593015711866904
Energy: 2.1424891898971286
Energy: 2.0593015711866904
Energy: 1.8394394622700239
Energy: 2.105513542404033
Energy: 1.988196601863399
Energy: 2.1055135424056415
Energy: 1.8394394622710961
Energy: 2.105513542402425
Energy: 2.0236607024659845
Energy: 1.8818318562570664
Energy: 1.8415902434943032
Energy: 1.8818318562559941
Energy: 2.023660702465448
Energy: 1.8818318562522414
Energy: 1.9985552799826427
Energy: 2.1690104438027493
Energy: 1.9441492293076001
Energy: 2.1690104438038214
Energy: 1.998555279983179
Energy: 2.169010443799533
Energy: 1.895568137573225
Energy: 2.0767860236360525
Energy: 1.9291152128380884
Energy: 2.076786023635565
Energy: 1.895568137573761
Energy: 2.0767860236365885
Energy: 1.9824143022847578
Energy: 2.055761014288753
Energy: 1.7581859065044432
Energy: 2.055761014289289
Energy: 1.982414302286902
Energy: 2.055761014290897
Energy: 1.877375290597202
Energy: 2.050611287812993
Energy: 1.875928112434033
Energy: 2.050611287812993
Energy: 1.8773752905977383
Energy: 2.050611287812457
Energy: 1.7649040083724818
Energy: 2.0828907406302135
Energy: 1.9845889385758715
Energy: 2.0828907406286055
Energy: 1.7649040083724818
Energy: 2.0828907406302135
Energy: 1.942501514008646
Energy: 2.0669893277803744
Energy: 1.8872498592562166
Energy: 2.066989327780911
Energy: 1.9425015140118627
Energy: 2.0669893277798383
Energy: 1.9518682905830071
Energy: 2.1820264796417086
Energy: 1.9995338580095134
Energy: 2.182026479642781
Energy: 1.9518682905830071
Energy: 2.182026479645461
Energy: 1.84253929448044
Energy: 1.8838387525880798
Energy: 2.0220672313022856
Energy: 1.883838752589688
Energy: 1.8425392940254977
Energy: 1.883838752589152
Energy: 1.9762460016830736
Energy: 2.040736575809913
Energy: 1.8373340274968215
Energy: 2.0407365758104494
Energy: 1.9762460016830736
Energy: 2.0407365758109854
Energy: 2.2915981700718775
Energy: 2.0597294603075884
Energy: 2.1368492950556797
Energy: 2.059729460305444
Energy: 2.2915981700718775
Energy: 2.0597294603022274
Energy: 1.8663414902462103
Energy: 2.1701351873283707
Energy: 1.8550881835794828
Energy: 2.1701351873289063
Energy: 1.8663414902419215
Energy: 2.1701351873267622
Energy: 1.852201047420751
Energy: 2.0149137313534715
Energy: 1.8239735415567306
Energy: 2.0149137313534715
Energy: 1.8522010474212873
Energy: 2.0149137313534715
Energy: 1.9630881510299365
Energy: 2.0117041780416107
Energy: 2.12204939199389
Energy: 2.0117041780416107
Energy: 1.9630881510294003
Energy: 2.0117041780416107
Energy: 1.8205813358327543
Energy: 2.1276743008636685
Energy: 1.9879676703383742
Energy: 2.127674300862596
Energy: 1.820581335831682
Energy: 2.1276743008642045
Energy: 2.1551460965807445
Energy: 2.0084023278772682
Energy: 2.0127485019900195
Energy: 2.0084023278767327
Energy: 2.1551460965818166
Energy: 2.0084023278767327
Energy: 2.166446266555652
Energy: 1.9039890767378942
Energy: 1.9712824328589855
Energy: 1.9039890767411103
Energy: 2.1664462665594044
Energy: 1.903989076744863
Energy: 1.9741804367032538
Energy: 2.0399196534224
Energy: 2.1338601483695316
Energy: 2.039919653421864
Energy: 1.9741804367209448
Energy: 2.0399196534224
Energy: 1.9930497201585118
Energy: 1.9307397076689794
Energy: 1.7503012660148498
Energy: 1.9307396996537531
Energy: 1.9930497201644086
Energy: 1.930739705227105
Energy: 2.1828576340889683
Energy: 1.9556788649931298
Energy: 1.7847571814887975
Energy: 1.9556788649925938
Energy: 2.1828576340911128
Energy: 1.9556788649942018
Energy: 1.9640319263806891
Energy: 1.9538492499550877
Energy: 1.7852802119788247
Energy: 1.953849249954552
Energy: 1.9640319263833697
Energy: 1.9538492499529436
Energy: 2.074947095636203
Energy: 2.145463354496335
Energy: 1.819649442960527
Energy: 2.145463354495799
Energy: 2.0749470956367393
Energy: 2.145463354496335
Energy: 2.083141023811808
Energy: 1.8813258779364324
Energy: 2.241104551909781
Energy: 1.8813258795439616
Energy: 2.083141023811272
Energy: 1.88132587873642
Energy: 2.1113088544277288
Energy: 2.14361822532815
Energy: 2.291234938325556
Energy: 2.14361822532815
Energy: 2.1113088544288012
Energy: 2.143618225327614
Energy: 2.0842354982029487
Energy: 1.8904363169283784
Energy: 2.2273193226120283
Energy: 1.8904363169289145
Energy: 2.0842354982029487
Energy: 1.8904363169289145
Energy: 2.0745772859056
Energy: 2.1524635902093885
Energy: 1.8142160881361968
Energy: 2.1524635902340483
Energy: 2.0745772859056
Energy: 2.1524635900797042
Energy: 1.9151995640071793
Energy: 1.901450276288979
Energy: 1.7861730539758025
Energy: 1.9014502763071568
Energy: 1.9151995640168287
Energy: 1.901450276229473
Energy: 2.161921565700002
Energy: 1.9558594079046827
Energy: 1.7823782436883342
Energy: 1.9558594079041467
Energy: 2.161921565700538
Energy: 1.9558594079036107

minimum gb energy = 1.7503012660148498 eV
minimum distance =  2.26452744099431 Angstroms
sigma value = 57


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

Energy: 1.8693071668824754
Energy: 1.876005536803448
Energy: 2.069296978507018
Energy: 1.876005536780262
Energy: 1.8693071668824754
Energy: 1.8760055368022275
Energy: 2.4003594585605894
Energy: 1.92416720085484
Energy: 1.8474740078787413
Energy: 1.9241672008536197
Energy: 2.4003594585605894
Energy: 1.9241672008536197
Energy: 1.5419493995389226
Energy: 1.8357244877857932
Energy: 1.7886101244078823
Energy: 1.8357244877857932
Energy: 1.5419493995389226
Energy: 1.8357244877857932
Energy: 1.5816698833522373
Energy: 1.8349757888694949
Energy: 1.6267057771516047
Energy: 1.8349757925434547
Energy: 1.5816698833522373
Energy: 1.8349757863847431
Energy: 1.583096797460693
Energy: 1.876054954346081
Energy: 1.9053734634359838
Energy: 1.8760549543473015
Energy: 1.5830967974619132
Energy: 1.876054954346081
Energy: 2.454689268400451
Energy: 1.8225566612157655
Energy: 1.641840219480278
Energy: 1.8225566612157655
Energy: 2.454689268400451
Energy: 1.8225566612145458
Energy: 2.4546774374549796
Energy: 1.8225517363943329
Energy: 1.7736585783895615
Energy: 1.8225517363931127
Energy: 2.4546774374549796
Energy: 1.8225517363943329
Energy: 1.5789851432372168
Energy: 2.1193874528110483
Energy: 1.6557102232131056
Energy: 2.1193874528122687
Energy: 1.5789851432372168
Energy: 2.1193874528110483
Energy: 1.5833991736885484
Energy: 1.8384681386213637
Energy: 1.8602341992949494
Energy: 1.838468138622584
Energy: 1.5833991736885484
Energy: 1.8384681386213637
Energy: 1.5418830199380522
Energy: 1.8195020916943367
Energy: 1.7766129411220264
Energy: 1.8195020916943367
Energy: 1.5418830199380522
Energy: 1.8195020916943367
Energy: 2.400455647393434
Energy: 1.92416720085484
Energy: 1.6491388225900019
Energy: 1.9241672008536197
Energy: 2.400455647394655
Energy: 1.9241672008536197
Energy: 1.8693071668824754
Energy: 1.876005536803448
Energy: 2.0213848389646873
Energy: 1.8760055367814819
Energy: 1.8693071668824754
Energy: 1.8760055368229729
Energy: 2.4003594585605894
Energy: 1.9241672008536197
Energy: 1.8273778712316653
Energy: 1.9241672008560602
Energy: 2.4003594585605894
Energy: 1.9241672008560602
Energy: 1.5419493995401428
Energy: 1.8357244877845726
Energy: 1.7886101244078823
Energy: 1.8357244877857932
Energy: 1.5419493995401428
Energy: 1.8357244877845726
Energy: 1.5816698833522373
Energy: 1.834975788515711
Energy: 1.6267057771552658
Energy: 1.834975791825015
Energy: 1.5816698833522373
Energy: 1.8349757865921432
Energy: 1.583096797460693
Energy: 1.876054954346081
Energy: 1.8362788497293523
Energy: 1.876054954346081
Energy: 1.583096797460693
Energy: 1.8760549543473015
Energy: 2.454689268401671
Energy: 1.8225566612145458
Energy: 1.6418402186239414
Energy: 1.8225566612157655
Energy: 2.454689268400451
Energy: 1.8225566612157655
Energy: 2.454677437453759
Energy: 1.8225517363943329
Energy: 1.7736585785664534
Energy: 1.8225517363955535
Energy: 2.4546774374549796
Energy: 1.8225517363943329
Energy: 1.5789851432372168
Energy: 2.1193874528110483
Energy: 1.6557102232131056
Energy: 2.1193874528110483
Energy: 1.5789851432372168
Energy: 2.1193874528110483

minimum gb energy = 1.5418830199380522 eV
minimum distance =  2.25220681255144 Angstroms
sigma value = 11


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

Energy: 1.8515830348947506
Energy: 1.8711368244217494
Energy: 1.8988688555168047
Energy: 1.8711368244217494
Energy: 1.8515830348947506
Energy: 1.8711368244226432
Energy: 2.4879192778023227
Energy: 1.8432552421935842
Energy: 1.493293305527361
Energy: 1.843255242198054
Energy: 2.4879192778014287
Energy: 1.8432552421837511
Energy: 1.673842926347511
Energy: 1.7218139300968605
Energy: 1.746454617326619
Energy: 1.721813930092391
Energy: 1.673842926347511
Energy: 1.7218139301004363
Energy: 2.180967535403762
Energy: 1.8026658902309107
Energy: 1.7154390072418009
Energy: 1.8026658902425312
Energy: 2.180967535404656
Energy: 1.8026658902237593
Energy: 1.4500160326002085
Energy: 1.9190328459071195
Energy: 1.5663995214522715
Energy: 1.9190328459071195
Energy: 1.4500160326011025
Energy: 1.9190328459071195
Energy: 1.4771615466565036
Energy: 1.8449745051146105
Energy: 1.4834056688866726
Energy: 1.8449745051137167
Energy: 1.4771615466573975
Energy: 1.8449745051137167
Energy: 1.4690043693447536
Energy: 1.9570215992988975
Energy: 1.4616234595818594
Energy: 1.9570215993006856
Energy: 1.4690043693447536
Energy: 1.957021599299792
Energy: 2.111899257207779
Energy: 1.9650668958950541
Energy: 1.740195927847266
Energy: 1.9650668958959479
Energy: 2.1118992572086728
Energy: 1.9650668958959479
Energy: 2.1073702107305983
Energy: 1.9238484207584718
Energy: 1.9795979641397399
Energy: 1.92384842076026
Energy: 2.107370210731492
Energy: 1.9238484207593658
Energy: 1.4769618191479248
Energy: 1.7225409264025244
Energy: 1.4973444457881286
Energy: 1.7225409264052065
Energy: 1.4769618191479248
Energy: 1.7225409263865155
Energy: 1.483695871707972
Energy: 1.8638111864221352
Energy: 1.4508562760443966
Energy: 1.863811186415878
Energy: 1.4836958717088662
Energy: 1.863811186424817
Energy: 1.4515367204474852
Energy: 1.925883095150487
Energy: 1.7221798148170304
Energy: 1.925883089483807
Energy: 1.4515367204474852
Energy: 1.9258830962262712
Energy: 2.1447749008066923
Energy: 1.7960559466709034
Energy: 1.5657279136372748
Energy: 1.7960559435024677
Energy: 2.1447749008075867
Energy: 1.796055947660059
Energy: 1.6771215788997647
Energy: 2.0286841211532747
Energy: 1.4948467037766529
Energy: 2.0286841211550626
Energy: 1.677121578898871
Energy: 2.0286841211550626
Energy: 2.480266862365157
Energy: 1.8722438970388016
Energy: 1.5025895991543297
Energy: 1.8722438970396957
Energy: 2.4802668623624755
Energy: 1.8722438970396957
Energy: 1.8568610359103825
Energy: 1.9766743504809974
Energy: 1.8021657021348017
Energy: 1.976674350489043
Energy: 1.8568610359121702
Energy: 1.9766743504836792
Energy: 2.50214171025645
Energy: 1.860466666867952
Energy: 1.5093377659502216
Energy: 1.8604666668697394
Energy: 2.502141710257344
Energy: 1.8604666668697394
Energy: 1.675878205765538
Energy: 1.7181737271620048
Energy: 1.529621117062222
Energy: 1.718173727161111
Energy: 1.6758782057664317
Energy: 1.718173727162899
Energy: 2.1961474408211012
Energy: 1.7062185150167728
Energy: 1.4509246808125502
Energy: 1.7062185150185605
Energy: 2.1961474408211012
Energy: 1.706218515014985
Energy: 1.4511896760329648
Energy: 1.9803975702090746
Energy: 1.4862269254536618
Energy: 1.9803975702090746
Energy: 1.4511896760329648
Energy: 1.9803975702090746
Energy: 2.0507976137341695
Energy: 1.84136394114748
Energy: 1.679005023904336
Energy: 1.841363941149268
Energy: 2.0507976137341695
Energy: 1.8413639411466673
Energy: 1.4736601106939091
Energy: 1.8977311569777344
Energy: 1.7998280711037493
Energy: 1.8977311569768405
Energy: 1.4736601106939091
Energy: 1.897731156979522
Energy: 2.1109243626015024
Energy: 1.8711372769897572
Energy: 1.7227923049625902
Energy: 1.8711372769897572
Energy: 2.110924362631002
Energy: 1.8711372769888632
Energy: 1.4512458467170422
Energy: 1.9255399501595063
Energy: 2.104073890907923
Energy: 1.9255399501604002
Energy: 1.4512458467170422
Energy: 1.9255399501604002
Energy: 1.4876122235892226
Energy: 1.7176642766295211
Energy: 1.6771113061748666
Energy: 1.7176642766286272
Energy: 1.4876122235901168
Energy: 1.7176642766304149
Energy: 1.4812093554199766
Energy: 1.9129599063316032
Energy: 1.4512988398094004
Energy: 1.9129599063307094
Energy: 1.4812093554190828
Energy: 1.9129599063316032

minimum gb energy = 1.4500160326002085 eV
minimum distance =  2.3050972567019 Angstroms
sigma value = 41


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

Energy: 2.2258477803320553
Energy: 1.7909364959380243
Energy: 1.8102846975960936
Energy: 1.7909364959387286
Energy: 2.2258477803320553
Energy: 1.7909364959387286
Energy: 2.834785493413576
Energy: 1.7332317793428327
Energy: 1.3543071790847163
Energy: 1.733231778798467
Energy: 2.83478549341428
Energy: 1.7332317811153992
Energy: 1.651613917212919
Energy: 1.7144823003057639
Energy: 1.644336546896309
Energy: 1.7144823003071408
Energy: 1.65161391721151
Energy: 1.7144823003057639
Energy: 2.5669901639788235
Energy: 1.5893489723667082
Energy: 1.3546886546788102
Energy: 1.589348972220929
Energy: 2.5669901639781187
Energy: 1.5893489723976768
Energy: 1.516537817118011
Energy: 1.5793652821542785
Energy: 1.42912839806729
Energy: 1.5793652821535737
Energy: 1.5165378171187156
Energy: 1.5793652821542785
Energy: 1.8792468320596356
Energy: 1.726038758245794
Energy: 1.3742300028307948
Energy: 1.7260387582450896
Energy: 1.8792468320596356
Energy: 1.726038758244385
Energy: 1.3652139468795155
Energy: 1.785801083092324
Energy: 1.3784278965718186
Energy: 1.7858010830930287
Energy: 1.3652139468809243
Energy: 1.7858010830930287
Energy: 1.9766875680337403
Energy: 1.754925880459956
Energy: 1.6499948232166184
Energy: 1.7549258804613648
Energy: 1.9766875680337403
Energy: 1.7549258804726378
Energy: 1.378635750290163
Energy: 1.68962541077208
Energy: 1.7593812928353687
Energy: 1.6896254107727846
Energy: 1.378635750290163
Energy: 1.6896254107727846
Energy: 1.8923804487039488
Energy: 1.8515541253002068
Energy: 2.027111064027498
Energy: 1.851554125299502
Energy: 1.892380448691267
Energy: 1.8515541252987977
Energy: 1.8863998810203892
Energy: 1.8083431305728235
Energy: 1.946104052145766
Energy: 1.808343130572119
Energy: 1.8863998810210933
Energy: 1.808343130572119
Energy: 1.3771385892717296
Energy: 1.847356083176668
Energy: 1.6128136419938817
Energy: 1.789717932718346
Energy: 1.3771385892717296
Energy: 1.8823248182516468
Energy: 1.3886049924453374
Energy: 1.7813522827711972
Energy: 1.7598240393563607
Energy: 1.7813522827719017
Energy: 1.3886049924453374
Energy: 1.7813522827711972
Energy: 1.3540057128304674
Energy: 1.7859851726686935
Energy: 1.3685234478350776
Energy: 1.7859851726679887
Energy: 1.3540057128304674
Energy: 1.7859851726686935
Energy: 1.9059990064344814
Energy: 1.7900241427535952
Energy: 1.3542711391695832
Energy: 1.7900241427521864
Energy: 1.9059990064344814
Energy: 1.7900241427521864
Energy: 1.5225101671790364
Energy: 1.8737362715747707
Energy: 1.3544117824942532
Energy: 1.7642003350641275
Energy: 1.5225101671790364
Energy: 1.8737362715747707
Energy: 1.8718575604115504
Energy: 1.7632494744975185
Energy: 1.4374963079145775
Energy: 1.7632494744975185
Energy: 1.8718575604136642
Energy: 1.7632494744968137
Energy: 1.6541838896739829
Energy: 1.7255502453714484
Energy: 1.3866082141701987
Energy: 1.7255502453714484
Energy: 1.6541838896739829
Energy: 1.7255502453721527
Energy: 2.4922411450469713
Energy: 1.6502631642827772
Energy: 1.3547734878768212
Energy: 1.6502631643440415
Energy: 2.4922411450476756
Energy: 1.650263164235604
Energy: 2.2178190778145894
Energy: 1.8860730611315446
Energy: 1.8877173059446561
Energy: 1.8071134720563862
Energy: 2.2178190778138847
Energy: 1.8860730611301355
Energy: 2.509189586775737
Energy: 1.6449810932880613
Energy: 1.4089617605584646
Energy: 1.6449810932880613
Energy: 2.5091895867764413
Energy: 1.644981093287357
Energy: 1.6580404809338185
Energy: 1.7818642496973176
Energy: 1.46911357506652
Energy: 1.781864249698727
Energy: 1.6580404809338185
Energy: 1.7818642496959087
Energy: 2.580619383450531
Energy: 1.5882952006995381
Energy: 1.3540633950120193
Energy: 1.5882952010749063
Energy: 2.5806193834498266
Energy: 1.5882952004100939
Energy: 1.5211801473627833
Energy: 1.6443016289625256
Energy: 1.6746106734465818
Energy: 1.6947899160618523
Energy: 1.5211801473620787
Energy: 1.6443016289611165
Energy: 1.629552169888164
Energy: 1.7135465212723562
Energy: 1.5357369702290178
Energy: 1.7135465212723562
Energy: 1.629552169888164
Energy: 1.7135465212716516
Energy: 1.3577361285252816
Energy: 1.6754278873550055
Energy: 1.5999431841240976
Energy: 1.6754278873571191
Energy: 1.3577361285252816
Energy: 1.6754278873543011
Energy: 1.9776004628703698
Energy: 1.7300568765499296
Energy: 1.673784938600625
Energy: 1.7300568765506343
Energy: 1.9776004628696653
Energy: 1.7300568765506343
Energy: 1.3772649447793355
Energy: 1.643966536224404
Energy: 2.1926204577018806
Energy: 1.6774076893671026
Energy: 1.37726494478004
Energy: 1.6439665362251084
Energy: 1.891318059481638
Energy: 1.854827952005533
Energy: 2.079255732312162
Energy: 1.854827952005533
Energy: 1.8913180594809331
Energy: 1.854827952005533
Energy: 1.354340692696716
Energy: 1.7524313519340609
Energy: 2.2107492947778766
Energy: 1.7524313519333565
Energy: 1.354340692696716
Energy: 1.7524313519333565
Energy: 1.3827023488540384
Energy: 1.7897487817836408
Energy: 1.6810745331595272
Energy: 1.7897487817829363
Energy: 1.3827023488547427
Energy: 1.7897487817836408
Energy: 1.3773659962902303
Energy: 1.8393305025069777
Energy: 1.8879757274598745
Energy: 1.8393305025069777
Energy: 1.377365996289526
Energy: 1.8393305025076823
Energy: 1.3639844803425838
Energy: 1.7942737535030964
Energy: 1.5419467546182026
Energy: 1.7942737535045055
Energy: 1.3639844803418792
Energy: 1.7942737535030964

minimum gb energy = 1.3540057128304674 eV
minimum distance =  2.21391937845166 Angstroms
sigma value = 33


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

Energy: 1.8688740219057356
Energy: 1.7146454484089182
Energy: 1.6369820448366077
Energy: 1.7146454484079292
Energy: 1.8688740219052415
Energy: 1.7146454484084237
Energy: 2.7047604168987918
Energy: 1.4464589178777005
Energy: 1.2578732468279628
Energy: 1.4464589178777005
Energy: 2.704760416899286
Energy: 1.4464589178777005
Energy: 1.8324842035879285
Energy: 1.6604652496211205
Energy: 1.525172282100051
Energy: 1.6604652496201318
Energy: 1.8324842035884228
Energy: 1.6604652496240873
Energy: 2.5187078636980833
Energy: 1.420359843190131
Energy: 1.2523462723006105
Energy: 1.420359843125401
Energy: 2.5187078637015445
Energy: 1.420359843186175
Energy: 1.449468839703211
Energy: 1.5938793998900194
Energy: 1.282691478866375
Energy: 1.593879399889525
Energy: 1.449468839703211
Energy: 1.593879399889525
Energy: 2.0210469185377438
Energy: 1.5515600923928607
Energy: 1.2513124422286583
Energy: 1.5515600961164921
Energy: 2.021046918538238
Energy: 1.5515600868874944
Energy: 1.4264806207712195
Energy: 1.5217556748715513
Energy: 1.2444453594434286
Energy: 1.5217556746630225
Energy: 1.4264806207712195
Energy: 1.5217556751463839
Energy: 1.8218402549044133
Energy: 1.5457678932849972
Energy: 1.405996036107341
Energy: 1.5457678932849972
Energy: 1.8218402548885904
Energy: 1.5457678932845027
Energy: 1.2455998687157348
Energy: 1.5837868826929742
Energy: 1.5347859055449264
Energy: 1.5837868826909962
Energy: 1.2455998687157348
Energy: 1.583786882689513
Energy: 1.594720249351631
Energy: 1.6525011810519707
Energy: 1.6148629216308608
Energy: 1.6525011810534542
Energy: 1.594720249349653
Energy: 1.652501181055432
Energy: 1.236571101605298
Energy: 1.565422331849361
Energy: 1.635175391944308
Energy: 1.5654223318503497
Energy: 1.2365711016057925
Energy: 1.5654223318488665
Energy: 2.0561983274237954
Energy: 1.6685261282483943
Energy: 1.7270453367130711
Energy: 1.6685261282503723
Energy: 2.056198327422312
Energy: 1.6685261282464163
Energy: 1.6035048324605277
Energy: 1.6439826177448715
Energy: 1.960027675413561
Energy: 1.643982617744377
Energy: 1.6035048324600332
Energy: 1.6439826177448715
Energy: 1.6102514000259347
Energy: 1.686425622840009
Energy: 2.0579060299014067
Energy: 1.6864256228395145
Energy: 1.6102514000264292
Energy: 1.6864256228405037
Energy: 1.6123150123829295
Energy: 1.6140532983976892
Energy: 2.077075696409428
Energy: 1.6140532983976892
Energy: 1.6123150123839185
Energy: 1.6140532984011504
Energy: 1.6020932225931386
Energy: 1.6659918710090584
Energy: 1.7179628203358093
Energy: 1.6659918710080697
Energy: 1.6020932225931386
Energy: 1.6659918710090584
Energy: 1.5999657455564051
Energy: 1.7201860457271896
Energy: 1.9507684818864641
Energy: 1.720186045726695
Energy: 1.5999657455564051
Energy: 1.7201860457262006
Energy: 1.2472424707787115
Energy: 1.673453453922893
Energy: 1.7151129424822273
Energy: 1.6734534539233874
Energy: 1.247242470778217
Energy: 1.673453453923882
Energy: 1.6196874058071704
Energy: 1.710750840298566
Energy: 1.6411712098137006
Energy: 1.710750840298566
Energy: 1.6196874058071704
Energy: 1.7107508402990605
Energy: 1.2458714246894276
Energy: 1.678487841819165
Energy: 1.384174961184041
Energy: 1.678487841819165
Energy: 1.2458714246894276
Energy: 1.678487841819165
Energy: 1.6087412039177837
Energy: 1.6529187446334153
Energy: 1.5323693873413076
Energy: 1.6529187446255038
Energy: 1.6087412039172895
Energy: 1.6529187446398435
Energy: 1.4386016274904665
Energy: 1.6736505537223754
Energy: 1.2423410046286747
Energy: 1.6736505537223754
Energy: 1.4386016274904665
Energy: 1.6736505537228699
Energy: 2.03887382347288
Energy: 1.6041607029528455
Energy: 1.2445261281620168
Energy: 1.6041607029548233
Energy: 2.0388738234733745
Energy: 1.604160702954329
Energy: 1.4500542209423974
Energy: 1.6796547246058229
Energy: 1.2458070191997297
Energy: 1.679654724603845
Energy: 1.4500542209369585
Energy: 1.6796547246058229
Energy: 2.2642858234079326
Energy: 1.654195403965894
Energy: 1.5077489973645042
Energy: 1.6541954059226245
Energy: 2.2642858234079326
Energy: 1.654195403171155
Energy: 1.8325504653398967
Energy: 1.666702291751661
Energy: 1.2943593029174998
Energy: 1.6667022917521555
Energy: 1.8325504653398967
Energy: 1.666702291751661
Energy: 2.715421971896891
Energy: 1.5813304094266796
Energy: 1.254753617784585
Energy: 1.5813304094276688
Energy: 2.715421971895902
Energy: 1.5813304094271743
Energy: 1.8663566723908074
Energy: 1.687528454272639
Energy: 1.616414126385385
Energy: 1.687528454272639
Energy: 1.866356672389324
Energy: 1.6875284542731335
Energy: 2.2534782880480133
Energy: 1.5929167405126308
Energy: 1.4094636394258984
Energy: 1.5929167405131253
Energy: 2.2534782880480133
Energy: 1.5929167405126308
Energy: 1.830699985071154
Energy: 1.6268956045294014
Energy: 1.6308551024336828
Energy: 1.6268956045318739
Energy: 1.8306999850716486
Energy: 1.6268956045352903
Energy: 2.266442293392387
Energy: 1.4171742370026923
Energy: 1.235524510395858
Energy: 1.4171742370041758
Energy: 2.266442293392387
Energy: 1.4171742370036813
Energy: 1.4491333129779518
Energy: 1.5772883037462038
Energy: 1.4326155984167894
Energy: 1.5772883037466983
Energy: 1.4491333129784463
Energy: 1.5772883037462038
Energy: 1.8209183781361464
Energy: 1.5675231489291865
Energy: 1.2458098851085802
Energy: 1.5675231489296808
Energy: 1.820918378136641
Energy: 1.5675231489296808
Energy: 1.439754325844326
Energy: 1.5674153233446029
Energy: 1.8331981491737837
Energy: 1.5674153233426251
Energy: 1.4397543258448204
Energy: 1.5674153233436139
Energy: 1.8391482762938398
Energy: 1.564543267036332
Energy: 1.4367503841051572
Energy: 1.5645432670358377
Energy: 1.8391482762938398
Energy: 1.564543267036332
Energy: 1.2455785937161379
Energy: 1.5539070421358
Energy: 1.8161774542696818
Energy: 1.5539070421155272
Energy: 1.2455785937166324
Energy: 1.5539070421362946
Energy: 1.4279844179673908
Energy: 1.6152462975857145
Energy: 1.458213649969091
Energy: 1.6152462975140167
Energy: 1.4279844179649184
Energy: 1.6152462976103927
Energy: 1.2357394583248604
Energy: 1.418367638061216
Energy: 2.267465096378965
Energy: 1.4183676380617105
Energy: 1.2357394583253547
Energy: 1.4183676380582493
Energy: 1.6308551024331883
Energy: 1.6003864371658276
Energy: 1.8304203178457945
Energy: 1.6003864371445657
Energy: 1.6308551024331883
Energy: 1.6003864371900114
Energy: 1.6017843611227034
Energy: 1.5900856900130471
Energy: 2.248195679844665
Energy: 1.5900856900125526
Energy: 1.6017843611227034
Energy: 1.5900856900120581
Energy: 1.6696543619533117
Energy: 1.6958057725123377
Energy: 1.9051160756240357
Energy: 1.6958057725128322
Energy: 1.6696543619528172
Energy: 1.6958057725118432
Energy: 1.2430297489316802
Energy: 1.5146765526120445
Energy: 2.7154488473832323
Energy: 1.51467655261155
Energy: 1.2430297489316802
Energy: 1.514676552615011
Energy: 1.253264544826555
Energy: 1.6006304863235108
Energy: 1.850729069328886
Energy: 1.6006304863225218
Energy: 1.2532645448240824
Energy: 1.6006304863244998
Energy: 1.601796635268411
Energy: 1.7271611595397671
Energy: 2.262891040141099
Energy: 1.7271611595397671
Energy: 1.6017966352679167
Energy: 1.7271611595397671
Energy: 1.2580746079839111
Energy: 1.6490908798388513
Energy: 1.4497028175665665
Energy: 1.6490908798368733
Energy: 1.2580746077704374
Energy: 1.6490908798388513
Energy: 1.2429732254167571
Energy: 1.6041607029167495
Energy: 2.0391358180799357
Energy: 1.6041607029122995
Energy: 1.2429732254172516
Energy: 1.604160702919222
Energy: 1.2442822814039842
Energy: 1.6794102215439841
Energy: 1.4389209621924355
Energy: 1.6794102215469509
Energy: 1.2442822507118598
Energy: 1.6794102215390392

minimum gb energy = 1.235524510395858 eV
minimum distance =  2.34498971131759 Angstroms
sigma value = 67


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

Energy: 0.444948674620064
Energy: 0.4498606149443116
Energy: 1.4420848670826638
Energy: 0.44986061494532553
Energy: 0.444948674620064
Energy: 0.4498606149449876
Energy: 0.45927110511264996
Energy: 1.1625303836363554
Energy: 1.0370712778549536
Energy: 1.1625303836370313
Energy: 0.45927110511430236
Energy: 1.1625303836363554
Energy: 0.444948674620064
Energy: 0.44986061494464963
Energy: 1.4420848670806734
Energy: 0.4498606149443116
Energy: 0.44494867461972604
Energy: 0.44986061494464963
Energy: 0.4592711051133259
Energy: 1.1625303836366934
Energy: 1.0370712778552915
Energy: 1.1625303836366934
Energy: 0.45927110511430236
Energy: 1.1625303836366934
Energy: 0.44494867461972604
Energy: 0.44986061494532553
Energy: 1.4420848671054585
Energy: 0.44986061494532553
Energy: 0.44494867461972604
Energy: 0.44986061494596397
Energy: 0.45927110511396435
Energy: 1.1625303836363554
Energy: 1.0370712778549536
Energy: 1.1625303836370313
Energy: 0.4592711051136263
Energy: 1.1625303836366934
Energy: 0.444948674620064
Energy: 0.4498606149449876
Energy: 1.4420848670856303
Energy: 0.44986061494532553
Energy: 0.44494867461972604
Energy: 0.4498606149443116

minimum gb energy = 0.44494867461972604 eV
minimum distance =  2.67359900429795 Angstroms
sigma value = 3


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

Energy: 2.1949190432191568
Energy: 1.7489933468369472
Energy: 1.781461357744951
Energy: 1.748993346836048
Energy: 2.1949190432205463
Energy: 1.7489933468347396
Energy: 2.6199254723588985
Energy: 1.2822961010001057
Energy: 1.3443457154999774
Energy: 1.282296100998307
Energy: 2.6199254723597982
Energy: 1.282296100998307
Energy: 2.1500375812364148
Energy: 1.716345183551745
Energy: 1.5758725468829096
Energy: 1.7163451835531347
Energy: 2.1500375812373145
Energy: 1.7163451835526442
Energy: 2.4151779653249497
Energy: 1.4942677222386411
Energy: 1.2808185176497238
Energy: 1.4942677222413392
Energy: 2.4151779653231507
Energy: 1.4942677222408485
Energy: 1.7302445453765434
Energy: 1.64751836053587
Energy: 1.52068348029807
Energy: 1.6475183605340713
Energy: 1.7302445453761348
Energy: 1.6475183605385684
Energy: 2.2128945689204826
Energy: 1.5294868183811248
Energy: 1.3186810268998805
Energy: 1.5294868183847223
Energy: 2.2128945689195834
Energy: 1.529486818382024
Energy: 1.7081843869106355
Energy: 1.6339939347412666
Energy: 1.4774510729673422
Energy: 1.633993934742166
Energy: 1.708184386911126
Energy: 1.6339939347416754
Energy: 2.0129671877297506
Energy: 1.624185661109258
Energy: 1.3362321571785123
Energy: 1.6241856610908607
Energy: 2.0129671877301596
Energy: 1.6241856611335421
Energy: 1.3168869149529066
Energy: 1.5207444067298763
Energy: 1.8645869622780344
Energy: 1.520744406730285
Energy: 1.3168869149524978
Energy: 1.5207444067307756
Energy: 1.6256654395461183
Energy: 1.6377801115781037
Energy: 1.7037736540278072
Energy: 1.6377801115785124
Energy: 1.6256654395483257
Energy: 1.6377801115772042
Energy: 1.2999390692626913
Energy: 1.6313575563692404
Energy: 1.91846498195383
Energy: 1.6313575565302356
Energy: 1.2999390692631
Energy: 1.6313575564165006
Energy: 1.6408727726415278
Energy: 1.711085152095588
Energy: 1.737204901128813
Energy: 1.7110851520371262
Energy: 1.6408727726410373
Energy: 1.711085152134672
Energy: 1.269422763231511
Energy: 1.3963848698877381
Energy: 2.2611460883538523
Energy: 1.3963848698855308
Energy: 1.2694227632306114
Energy: 1.3963848698855308
Energy: 1.6293461207607218
Energy: 1.7182085409918137
Energy: 2.103660977430892
Energy: 1.7182085409913233
Energy: 1.6293461207612125
Energy: 1.718208540990015
Energy: 1.2657136123611408
Energy: 1.5913724833234653
Energy: 2.2714535406719008
Energy: 1.5913724833288616
Energy: 1.2657136123611408
Energy: 1.5913724833176597
Energy: 1.2873001481049648
Energy: 1.7171036918834472
Energy: 2.1434178380122155
Energy: 1.7171036918789504
Energy: 1.2873001481058646
Energy: 1.71710369188124
Energy: 1.26947375334149
Energy: 1.6559180334696877
Energy: 2.383729297925975
Energy: 1.655918033469279
Energy: 1.2694737533419806
Energy: 1.6559180334701784
Energy: 1.3259110487893726
Energy: 1.715894512668361
Energy: 2.0808176648140626
Energy: 1.7158945126719585
Energy: 1.3259110487875738
Energy: 1.7158945126724492
Energy: 1.266737682437418
Energy: 1.7545643860133935
Energy: 2.0465163733801512
Energy: 1.754564386012903
Energy: 1.2667376824369274
Energy: 1.754564386012903
Energy: 1.2706055087512502
Energy: 1.7331665228036606
Energy: 1.7192925177607596
Energy: 1.7331665228031699
Energy: 1.2706055087512502
Energy: 1.7331665228067674
Energy: 1.2685846389790154
Energy: 1.702091849570981
Energy: 1.9788967065851493
Energy: 1.7020918495727797
Energy: 1.2685846389790154
Energy: 1.7020918495705724
Energy: 1.2890740457871686
Energy: 1.7311255233402412
Energy: 1.7482788598629182
Energy: 1.7311255233388512
Energy: 1.2890740457871686
Energy: 1.73112552334065
Energy: 1.6778012340099024
Energy: 1.7112107025826206
Energy: 1.6537430147790118
Energy: 1.7112107025835201
Energy: 1.677801234010393
Energy: 1.7112107025830294
Energy: 1.7172270265130853
Energy: 1.7600178155881558
Energy: 1.3316102859593253
Energy: 1.7600178155166932
Energy: 1.717227026513494
Energy: 1.7600178155741741
Energy: 1.7124375432447334
Energy: 1.7472655482025652
Energy: 1.6012944251548624
Energy: 1.7472655482034647
Energy: 1.7124375432447334
Energy: 1.7472655482025652
Energy: 1.7358302330416202
Energy: 1.7567362916650353
Energy: 1.3199768923014708
Energy: 1.7567362916645448
Energy: 1.7358302330407207
Energy: 1.7567362916650353
Energy: 1.993586437806647
Energy: 1.724404039687936
Energy: 1.2702666204967175
Energy: 1.7244040396892442
Energy: 1.9935864377688717
Energy: 1.7244040396897349
Energy: 2.1269655411803643
Energy: 1.7412016012725224
Energy: 1.3186845700794299
Energy: 1.74120160127612
Energy: 2.1269655411807733
Energy: 1.741201601273013
Energy: 2.0902392704106747
Energy: 1.7182427546540808
Energy: 1.614622905295214
Energy: 1.718242754652282
Energy: 2.0902392704106747
Energy: 1.7182427546545715
Energy: 2.1523705464446032
Energy: 1.7293721329185476
Energy: 1.2742427962700267
Energy: 1.7293721329171579
Energy: 2.1523705464437035
Energy: 1.7293721331248406
Energy: 2.4441670226345598
Energy: 1.7266383507946856
Energy: 1.2721452756569411
Energy: 1.7266383507892888
Energy: 2.4441670226349688
Energy: 1.7266383507941951
Energy: 2.12845852150326
Energy: 1.7373332072541077
Energy: 1.615106588826931
Energy: 1.7373332072527992
Energy: 2.1284585215027696
Energy: 1.737333207254598
Energy: 2.1969548471381737
Energy: 1.6585284206571032
Energy: 1.2724425283796148
Energy: 1.6585284206598014
Energy: 2.1969548471381737
Energy: 1.6585284206611097
Energy: 1.7370215106776041
Energy: 1.7220577987848926
Energy: 1.2786204764853981
Energy: 1.7220577987844836
Energy: 1.7370215106798936
Energy: 1.7220577987844836
Energy: 2.012515300155964
Energy: 1.738729838106157
Energy: 1.305461459556603
Energy: 1.7387298381056666
Energy: 2.012515300154656
Energy: 1.738729838106566
Energy: 1.7184780588549042
Energy: 1.6901037271955546
Energy: 1.6012944942877902
Energy: 1.6901037271991521
Energy: 1.7184780588553132
Energy: 1.6901037271986614
Energy: 1.7130273037912926
Energy: 1.6598058680157186
Energy: 1.3210621645235336
Energy: 1.659805868018417
Energy: 1.7130273037912926
Energy: 1.6598058680162093
Energy: 1.290228073993418
Energy: 1.6976900752301671
Energy: 1.6557151788227686
Energy: 1.6976900752301671
Energy: 1.2902280739911287
Energy: 1.6976900752310666
Energy: 1.669864688652006
Energy: 1.729640014985637
Energy: 1.754867757190843
Energy: 1.7296400149955307
Energy: 1.6698646886511068
Energy: 1.7296400149779512
Energy: 1.2706061094623846
Energy: 1.5430906774421045
Energy: 1.978919062010608
Energy: 1.543090658257592
Energy: 1.2706061094619758
Energy: 1.5430907175363702
Energy: 1.269851176661846
Energy: 1.6543673271867634
Energy: 1.78659500457183
Energy: 1.6543673271872539
Energy: 1.2698511766623366
Energy: 1.6543673271876629
Energy: 1.326037472800416
Energy: 1.5666444952296201
Energy: 2.049107080064781
Energy: 1.566642795376987
Energy: 1.326037472800416
Energy: 1.5666439633672804
Energy: 1.2673449536243653
Energy: 1.7216765842487736
Energy: 2.065481928997216
Energy: 1.7216765841243273
Energy: 1.2673449536252648
Energy: 1.721676584354414
Energy: 1.271237029728098
Energy: 1.281305476312721
Energy: 2.2557959199153355
Energy: 1.2813054763104317
Energy: 1.271237029728098
Energy: 1.2813054763091232
Energy: 1.2869786472576985
Energy: 1.739401740221902
Energy: 2.1191986121518096
Energy: 1.7394017402201032
Energy: 1.2869786472576985
Energy: 1.7394017402223927
Energy: 1.325861825037928
Energy: 1.417426554379561
Energy: 2.344186664525957
Energy: 1.4174265543804605
Energy: 1.3258618250375194
Energy: 1.41742655438275
Energy: 1.2799541006742383
Energy: 1.7143887701674274
Energy: 2.051766615156011
Energy: 1.7143887701669371
Energy: 1.279954100674729
Energy: 1.714388770168736
Energy: 1.2712697950694791
Energy: 1.2997104323945168
Energy: 2.2732037207507427
Energy: 1.299710432395416
Energy: 1.2712697950689884
Energy: 1.2997104323945168
Energy: 1.3154282093396326
Energy: 1.6525934234753752
Energy: 1.7874175375639585
Energy: 1.652593423475866
Energy: 1.3154282093414313
Energy: 1.6525934234735764
Energy: 1.300534086519566
Energy: 1.518950325984002
Energy: 1.867612330897151
Energy: 1.5189503259799138
Energy: 1.3005340865186668
Energy: 1.5189503259817128
Energy: 1.6756577533815609
Energy: 1.6391331358221313
Energy: 1.69652037970832
Energy: 1.6391331358239303
Energy: 1.6756577533819697
Energy: 1.639133135822622

minimum gb energy = 1.2657136123611408 eV
minimum distance =  2.24752744098351 Angstroms
sigma value = 81


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

Energy: 2.2944474482554584
Energy: 1.9345663939202977
Energy: 1.998433404961746
Energy: 1.9345663939215323
Energy: 2.2944474482554584
Energy: 1.9345663939202977
Energy: 2.566516610077898
Energy: 1.4102169343600566
Energy: 1.4742841275731593
Energy: 1.4102169343495639
Energy: 2.566516610077898
Energy: 1.4102169343686417
Energy: 2.156562190095867
Energy: 1.8896272942907788
Energy: 1.8852047538295376
Energy: 1.889627294291396
Energy: 2.15656219009525
Energy: 1.889627294291396
Energy: 2.3664297881821397
Energy: 1.4973324995408408
Energy: 1.4896515717263967
Energy: 1.4973324994285635
Energy: 2.3664297881821397
Energy: 1.497332499498253
Energy: 1.6480427702841645
Energy: 1.7767519104495846
Energy: 1.6346442055536494
Energy: 1.7767519104489673
Energy: 1.6480427702835472
Energy: 1.7767519104520535
Energy: 2.0483433624055154
Energy: 1.7770735460577143
Energy: 1.5524330326557263
Energy: 1.7770735460595657
Energy: 2.0483433624042813
Energy: 1.7770735460589484
Energy: 1.5792850909186706
Energy: 1.769953014964711
Energy: 1.8444741569656713
Energy: 1.769953014964711
Energy: 1.5792850909186706
Energy: 1.769953014964711
Energy: 1.6069429930130519
Energy: 1.7841515670493644
Energy: 1.6703140485737824
Energy: 1.7841515670487471
Energy: 1.6069429930136692
Energy: 1.7841515670468953
Energy: 1.4157351487571999
Energy: 1.6471988894842742
Energy: 2.3545740277636837
Energy: 1.6471988894824225
Energy: 1.4157351487565826
Energy: 1.6471988894836571
Energy: 1.5391038490515778
Energy: 1.9069382033664546
Energy: 2.1701997790801433
Energy: 1.9069382033658373
Energy: 1.5391038490515778
Energy: 1.9069382033658373
Energy: 1.3963401418921142
Energy: 1.6476494312358345
Energy: 2.3118245446963637
Energy: 1.647649431237069
Energy: 1.3963401418921142
Energy: 1.6476494312339829
Energy: 1.4089585514061642
Energy: 1.9153969716854615
Energy: 2.1045870270115077
Energy: 1.9153969715472607
Energy: 1.4089585514061642
Energy: 1.9153969718131696
Energy: 1.5384352659252174
Energy: 1.747836934854681
Energy: 2.3558822588174797
Energy: 1.7478378701748452
Energy: 1.5384352659252174
Energy: 1.7478418822357014
Energy: 1.5730987453256586
Energy: 1.9030109873605374
Energy: 2.130831557387614
Energy: 1.9030109873611545
Energy: 1.5730987453250413
Energy: 1.9030109873605374
Energy: 1.5368510681689986
Energy: 1.7427188595193364
Energy: 2.0796435965872684
Energy: 1.74271886022577
Energy: 1.5368510681689986
Energy: 1.7427188591979346
Energy: 1.5490892206855864
Energy: 1.959412393616259
Energy: 1.6575855633548224
Energy: 1.9594123936150247
Energy: 1.5490892206849691
Energy: 1.9594123936131729
Energy: 1.5980252350340498
Energy: 1.808580836842779
Energy: 2.0041422864619953
Energy: 1.8085808368304908
Energy: 1.5980252350340498
Energy: 1.8085808368625298
Energy: 2.1476612517330773
Energy: 1.891852450508775
Energy: 1.5840331754992232
Energy: 1.8918524505075405
Energy: 2.1476612517330773
Energy: 1.8918524505100092
Energy: 2.065559280653461
Energy: 1.9423121330836832
Energy: 1.612608132663394
Energy: 1.9423121330824487
Energy: 2.065559280653461
Energy: 1.9423121330824487
Energy: 2.1644785636668877
Energy: 1.9829516147790407
Energy: 1.4720617200021902
Energy: 1.9829516147790407
Energy: 2.1644785636668877
Energy: 1.9829516147790407
Energy: 2.1649891437649447
Energy: 1.9173423357693424
Energy: 1.786789167914241
Energy: 1.9173423359859298
Energy: 2.164989143765562
Energy: 1.9173423355775
Energy: 2.588656803908711
Energy: 1.850251060548918
Energy: 1.3990441204167585
Energy: 1.8502510605458318
Energy: 2.588656803922907
Energy: 1.8502510605920668
Energy: 2.4850733887530128
Energy: 1.8927576055364916
Energy: 1.4775426108973921
Energy: 1.8927576054019941
Energy: 2.485073388751162
Energy: 1.8927576062002809
Energy: 2.1645667095229735
Energy: 1.912315767978079
Energy: 1.7057632355730277
Energy: 1.912315767974376
Energy: 2.1645667095229735
Energy: 1.9123157679799307
Energy: 2.164767922039852
Energy: 1.9580087022966997
Energy: 1.4670224712565774
Energy: 1.958008702297317
Energy: 2.1647679220392346
Energy: 1.9580087022960826
Energy: 2.0933477428527576
Energy: 1.9248024719701
Energy: 1.5957541025078872
Energy: 1.9248024719701
Energy: 2.0933477428527576
Energy: 1.9248024719725687
Energy: 2.1186003529316206
Energy: 1.9028134550900386
Energy: 1.5542599449977559
Energy: 1.90281345508757
Energy: 2.1186003529316206
Energy: 1.9028134550918907
Energy: 1.5746316188199654
Energy: 1.8219144967008711
Energy: 1.808973509051167
Energy: 1.8219146713791898
Energy: 1.5746316188199654
Energy: 1.8219140957647728
Energy: 1.5975757281744738
Energy: 1.9549984946135317
Energy: 1.6363224980020452
Energy: 1.9549984946271108
Energy: 1.5975757281738567
Energy: 1.9549984946085943
Energy: 1.5367732973048658
Energy: 1.742718861059238
Energy: 2.0696931274251225
Energy: 1.7427188612245958
Energy: 1.536773297305483
Energy: 1.7427188606582147
Energy: 1.5185819138567438
Energy: 1.899703369825034
Energy: 2.131732714195463
Energy: 1.899703369821948
Energy: 1.5185819138567438
Energy: 1.8997033698237997
Energy: 1.4700882319916893
Energy: 1.7432252075893824
Energy: 2.1683238760544783
Energy: 1.743225207588765
Energy: 1.4700882319892206
Energy: 1.7432252075899997
Energy: 1.4141743693453899
Energy: 1.9204312794410041
Energy: 2.079674810256266
Energy: 1.9204312799166543
Energy: 1.414174369342921
Energy: 1.9204312788524591
Energy: 1.3962192919125667
Energy: 1.4749966282301632
Energy: 2.421598541348088
Energy: 1.4749966282301632
Energy: 1.396219291913184
Energy: 1.4749966282307805
Energy: 1.5391038490509608
Energy: 1.8933000757115928
Energy: 2.1971164732484723
Energy: 1.8933000757103584
Energy: 1.5391038490509608
Energy: 1.8933000757109757
Energy: 1.4322596037852537
Energy: 1.5631886637093098
Energy: 2.101308769884732
Energy: 1.5631886637086925
Energy: 1.432259603785871
Energy: 1.5631886637068408
Energy: 1.558251548374274
Energy: 1.7855555407519688
Energy: 1.669929148750872
Energy: 1.7855555407593755
Energy: 1.558251548374274
Energy: 1.785555540747031
Energy: 1.5774951125641494
Energy: 1.7708100045355422
Energy: 1.8852925244394065
Energy: 1.7708100045349249
Energy: 1.5774951125641494
Energy: 1.7708100045349249

minimum gb energy = 1.3962192919125667 eV
minimum distance =  2.12197738439251 Angstroms
sigma value = 43


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

Energy: 2.235208302072702
Energy: 2.0070256912635034
Energy: 2.116628649237539
Energy: 2.007025691262745
Energy: 2.2352083020711864
Energy: 2.007025691264261
Energy: 2.5168842028920237
Energy: 1.509384695997642
Energy: 1.5984080988436196
Energy: 1.509384695996884
Energy: 2.5168842028920237
Energy: 1.5093846959984
Energy: 1.6850958373470002
Energy: 1.8732620976137235
Energy: 1.7703116393316718
Energy: 1.8732620976129652
Energy: 1.6850958373470002
Energy: 1.8732620976137235
Energy: 2.121413854639727
Energy: 1.4849569879227933
Energy: 1.5938322224744597
Energy: 1.484956987925068
Energy: 2.121413854640485
Energy: 1.4849569879243094
Energy: 1.5240783353623986
Energy: 1.87591300144347
Energy: 1.850554157646707
Energy: 1.87591300144347
Energy: 1.5240783353623986
Energy: 1.87591300144347
Energy: 1.553216197444015
Energy: 1.8646419317904022
Energy: 1.6022798008048482
Energy: 1.864641931788886
Energy: 1.553216197444015
Energy: 1.8646419317904022
Energy: 1.5867994172659032
Energy: 1.7387780359052263
Energy: 1.9259932249035374
Energy: 1.7387780359059846
Energy: 1.5867994172651452
Energy: 1.7387780359059846
Energy: 1.5434490885855863
Energy: 1.9152018065033072
Energy: 1.671186816705559
Energy: 1.9152018065040655
Energy: 1.5434490885855863
Energy: 1.9152018065040655
Energy: 1.4587480151114405
Energy: 1.675406361201099
Energy: 2.500447568074136
Energy: 1.675406361201099
Energy: 1.4587480151114405
Energy: 1.675406361201857
Energy: 1.51465531237456
Energy: 1.999806217427878
Energy: 2.265043837465418
Energy: 1.9998062174286362
Energy: 1.5146553123753181
Energy: 1.9998062174293945
Energy: 1.5653727925127883
Energy: 1.9980577197418414
Energy: 2.1622562820162896
Energy: 1.9980577197418414
Energy: 1.5653727925127883
Energy: 1.998057719741083
Energy: 1.4611566688503363
Energy: 1.8820583800006931
Energy: 1.669965317569112
Energy: 1.8820583476310693
Energy: 1.4611566688503363
Energy: 1.8820584405401493
Energy: 1.4595317370056518
Energy: 1.459986415440289
Energy: 2.0894478616748953
Energy: 1.4599864154645497
Energy: 1.4595317370056518
Energy: 1.4599864152470665
Energy: 1.5878009704436284
Energy: 2.042754553801874
Energy: 1.6524897638235745
Energy: 2.0427545538011156
Energy: 1.5878009704428704
Energy: 2.0427545538011156
Energy: 1.5336818685055946
Energy: 1.8869823723553272
Energy: 1.5971655688530075
Energy: 1.8869823723568435
Energy: 1.5336818685055946
Energy: 1.8869823723553272
Energy: 2.1849008278269357
Energy: 1.7483239766455243
Energy: 1.594545226220139
Energy: 1.748323383896963
Energy: 2.1849008278269357
Energy: 1.748324757942655
Energy: 2.172953478664371
Energy: 1.8860509389793558
Energy: 2.1160565159867617
Energy: 1.886050938978598
Energy: 2.172953478665129
Energy: 1.8860509389793558
Energy: 2.2636843194412006
Energy: 2.0519244007767012
Energy: 1.459969038664232
Energy: 2.0519244007767012
Energy: 2.2636843194412006
Energy: 2.051924400780492
Energy: 2.2654152380904584
Energy: 2.037094214606461
Energy: 1.4873886482153351
Energy: 2.0370942145928144
Energy: 2.2654152380912165
Energy: 2.037094214617075
Energy: 2.232629385419658
Energy: 2.046657382496138
Energy: 1.5366729394921175
Energy: 2.046657382494622
Energy: 2.232629385419658
Energy: 2.046657382496138
Energy: 2.184451349426574
Energy: 2.0919809914674006
Energy: 1.5998079849316125
Energy: 2.0919809914674006
Energy: 2.184451349426574
Energy: 2.091980991466643
Energy: 1.5875756490863062
Energy: 1.8766295538971305
Energy: 1.5228031657931171
Energy: 1.8766295538986468
Energy: 1.5875756490863062
Energy: 1.8766295538986468
Energy: 1.5887664000709527
Energy: 2.004726091156112
Energy: 1.592701855298691
Energy: 2.004726091156112
Energy: 1.5887664000709527
Energy: 2.004726091156112
Energy: 1.4587471634173317
Energy: 1.9947587339797028
Energy: 1.589497688876649
Energy: 1.994758733978945
Energy: 1.4587471634173317
Energy: 1.994758733978945
Energy: 1.4598564754691528
Energy: 2.0843720095420104
Energy: 1.6403697590136117
Energy: 2.084372009539736
Energy: 1.4598564754691528
Energy: 2.084372009545801
Energy: 1.5881664317067437
Energy: 2.0122638119770087
Energy: 2.159838099045874
Energy: 2.0122638119770087
Energy: 1.5881664317075017
Energy: 2.0122638119770087
Energy: 1.5118957332785083
Energy: 2.0006091807047426
Energy: 2.2657341004497704
Energy: 2.0006091807055
Energy: 1.51189573327775
Energy: 2.000609180703984
Energy: 1.4608104632537333
Energy: 1.9583783054419583
Energy: 1.9720046901968538
Energy: 1.9583783054176975
Energy: 1.4608104632537333
Energy: 1.958378305451056
Energy: 1.5468560642127436
Energy: 1.8697894990111368
Energy: 1.6441811967725302
Energy: 1.8697894990118944
Energy: 1.5468560642127436
Energy: 1.8697894990118944
Energy: 1.5895885430921568
Energy: 1.7386001929224144
Energy: 1.9292065547384103
Energy: 1.7386001929216566
Energy: 1.5895885430921568
Energy: 1.7386001929224144
Energy: 1.4850375338095696
Energy: 1.87442116041921
Energy: 1.5372799914514128
Energy: 1.87442116041921
Energy: 1.4850375338103274
Energy: 1.8744211604176935

minimum gb energy = 1.4587471634173317 eV
minimum distance =  2.12958154656184 Angstroms
sigma value = 57


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

Energy: 1.8294752548564452
Energy: 2.08015137070086
Energy: 2.05409816014958
Energy: 2.0801513706998787
Energy: 1.8294752548564452
Energy: 2.0801513706998787
Energy: 2.174851784654361
Energy: 1.6834165697302577
Energy: 1.706004915841667
Energy: 1.6834165697302577
Energy: 2.174851784654361
Energy: 1.6834165697302577
Energy: 1.713980002834957
Energy: 2.073701700057492
Energy: 1.928495337324085
Energy: 2.073701700057492
Energy: 1.7139800028359384
Energy: 2.073701700057492
Energy: 1.729855193097197
Energy: 1.5807992005160088
Energy: 1.7059942215270312
Energy: 1.5807992005169902
Energy: 1.7298551930981787
Energy: 1.5807992005179718
Energy: 1.701306687133343
Energy: 1.6072433661194654
Energy: 1.9416934501221292
Energy: 1.6072433661194654
Energy: 1.7013066871323614
Energy: 1.6072433661194654
Energy: 1.595741173367065
Energy: 2.1123929126561225
Energy: 1.712522197687584
Energy: 2.1123929126561225
Energy: 1.595741173367065
Energy: 2.1123929126561225
Energy: 1.5575917027298234
Energy: 1.8337021206873145
Energy: 2.132226850179273
Energy: 1.833702120688296
Energy: 1.557591702730805
Energy: 1.8337021206853512
Energy: 1.6152106528048127
Energy: 2.087942000968816
Energy: 1.8169273411277238
Energy: 2.0879420009727423
Energy: 1.6152106528048127
Energy: 2.0879420009599814
Energy: 1.7206569274013894
Energy: 1.6288178538704183
Energy: 1.9382794098774732
Energy: 1.6288178538704183
Energy: 1.7206569274004075
Energy: 1.6288178538704183
Energy: 1.5575486337013442
Energy: 2.1539263555144417
Energy: 1.7083096115735672
Energy: 2.1161658419403864
Energy: 1.5575486337013442
Energy: 2.1692608025010873
Energy: 1.6007311067364236
Energy: 1.5584699973736569
Energy: 1.5926994895561273
Energy: 1.5584699973726752
Energy: 1.6007311067364236
Energy: 1.5584699973726752
Energy: 1.7036871684527861
Energy: 2.1604539322105736
Energy: 1.7057732178182596
Energy: 2.1604539322105736
Energy: 1.7036871684527861
Energy: 2.1604539322105736
Energy: 1.7013119818364861
Energy: 2.111845012341273
Energy: 1.6593724909185081
Energy: 2.111845012341273
Energy: 1.7013119818364861
Energy: 2.11184501234221
Energy: 2.2025257750001908
Energy: 2.2061482107067305
Energy: 1.628701569931604
Energy: 1.9837895020099463
Energy: 2.2025257750001908
Energy: 2.158510990996521
Energy: 2.552093192624354
Energy: 2.1835220477967594
Energy: 1.5942849089266364
Energy: 2.183522047801667
Energy: 2.552093192624354
Energy: 2.1835220477506225
Energy: 1.7028202508563581
Energy: 2.215650624748124
Energy: 1.7055081542364328
Energy: 2.2156506247520507
Energy: 1.7028202508563581
Energy: 2.2156506247559773
Energy: 1.7014145709694801
Energy: 1.9487235546994814
Energy: 1.5575363386973775
Energy: 1.9487235764702127
Energy: 1.7014145709694801
Energy: 1.9487235721490312
Energy: 1.629242240734681
Energy: 2.3137413735122054
Energy: 1.629230654138427
Energy: 2.329521588778696
Energy: 1.6292422407356628
Energy: 1.9848500082252465
Energy: 1.5992623028146753
Energy: 1.9478336482682161
Energy: 1.7104794379643304
Energy: 1.9478336471408138
Energy: 1.5992623028136936
Energy: 1.9478336484418755
Energy: 1.7052182154350524
Energy: 2.2256329388469624
Energy: 1.702732441853626
Energy: 2.2256329388459806
Energy: 1.7052182154340705
Energy: 2.2256329388469624
Energy: 1.5997918294715558
Energy: 2.191815007683828
Energy: 2.5513314806563923
Energy: 2.1918150076848093
Energy: 1.5997918294695925
Energy: 2.191815007683828
Energy: 1.630293651080982
Energy: 1.8987885697051587
Energy: 2.2072556821981055
Energy: 1.8987888151058239
Energy: 1.630293651080982
Energy: 1.898788589695034
Energy: 1.6553122595191774
Energy: 2.1297880694342637
Energy: 1.7106288951078006
Energy: 2.129788069435245
Energy: 1.6553122595181957
Energy: 2.129788069435245
Energy: 1.7057917972160388
Energy: 1.9088947607059328
Energy: 1.7033007627453327
Energy: 1.9088947607059328
Energy: 1.7057917972150571
Energy: 1.9088947607049511

minimum gb energy = 1.5575363386973775 eV
minimum distance =  2.16193529376533 Angstroms
sigma value = 17


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

Energy: 1.8322666081122694
Energy: 1.832959728087318
Energy: 2.5912310259462155
Energy: 1.832959728087318
Energy: 1.8322666081108812
Energy: 1.832959728087318
Energy: 1.839431362299257
Energy: 1.6697912451734669
Energy: 1.6739464656827738
Energy: 1.6697912451720784
Energy: 1.8394313622978686
Energy: 1.6697912451720784
Energy: 1.6660542635573847
Energy: 1.666471766303676
Energy: 2.071257351007038
Energy: 1.666471766303676
Energy: 1.6660542635573847
Energy: 1.666471766303676
Energy: 2.0832237081485627
Energy: 1.66554157917818
Energy: 1.6652919458482702
Energy: 1.665541579179568
Energy: 2.0832237081568925
Energy: 1.66554157917818
Energy: 1.6723602543447242
Energy: 1.6706529455376418
Energy: 1.6904678928906716
Energy: 1.6706529455376418
Energy: 1.6723602543447242
Energy: 1.6706529455376418
Energy: 1.7090342136555183
Energy: 1.8366943768182233
Energy: 1.8361066797700143
Energy: 1.8366943768182233
Energy: 1.70903421365413
Energy: 1.8366943768182233
Energy: 1.6767059243977749
Energy: 1.8142570318297888
Energy: 1.8515500507261515
Energy: 1.8142570318297888
Energy: 1.6767059243977749
Energy: 1.8142570318297888
Energy: 2.0706429425010477
Energy: 2.3763855372353757
Energy: 1.6655055378421026
Energy: 2.3763855372353757
Energy: 2.0706429425010477
Energy: 2.3763855372353757
Energy: 1.673243623209682
Energy: 1.6693734579709312
Energy: 1.822058419737965
Energy: 1.6693734579709312
Energy: 1.673243623209682
Energy: 1.6693734579709312
Energy: 1.870024397068284
Energy: 2.087962670616121
Energy: 1.6796908563686341
Energy: 2.0879626707021592
Energy: 1.8700243970668955
Energy: 2.087962670568952
Energy: 1.8382118300655734
Energy: 2.279075472717816
Energy: 1.6758144346282737
Energy: 2.2790754727164284
Energy: 1.8382118300669614
Energy: 2.2790754727164284
Energy: 1.6823210210057598
Energy: 2.0251677987771344
Energy: 1.676405523095391
Energy: 2.025167798918671
Energy: 1.682321021007148
Energy: 2.0251677987785226
Energy: 1.6732028155994605
Energy: 2.421026114557776
Energy: 1.6893761589732
Energy: 2.421026114557776
Energy: 1.6732028155994605
Energy: 2.421026114557776
Energy: 1.7067285618753236
Energy: 2.0373179353242103
Energy: 1.6792724700437247
Energy: 2.0373179353242103
Energy: 1.7067285618753236
Energy: 2.0373179353242103
Energy: 1.6766823007368121
Energy: 2.342312244762162
Energy: 1.8381444535545304
Energy: 2.342312244762162
Energy: 1.6766823007368121
Energy: 2.342312244762162
Energy: 1.6814664293352402
Energy: 2.297508505599892
Energy: 1.8382736493917844
Energy: 2.2975085055985036
Energy: 1.6814664293352402
Energy: 2.2975085055985036
Energy: 1.6760591470353317
Energy: 2.0324532158675415
Energy: 1.6868873906806074
Energy: 2.0324532158592117
Energy: 1.6760591470353317
Energy: 2.0324532158786472

minimum gb energy = 1.6652919458482702 eV
minimum distance =  2.42237807226306 Angstroms
sigma value = 17


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

Energy: 2.4965663947320036
Energy: 2.4503937316154496
Energy: 2.402673782100705
Energy: 2.4503937316149136
Energy: 2.4965663947320036
Energy: 2.4503937316165216
Energy: 2.2272064801097073
Energy: 1.7513606425935038
Energy: 1.7314165729569417
Energy: 1.751360644204249
Energy: 2.2272064801295426
Energy: 1.7513606410373903
Energy: 1.7872449869687685
Energy: 1.835025234551732
Energy: 2.163750309062307
Energy: 1.8350252345506595
Energy: 1.7872449869682323
Energy: 1.835025234551196
Energy: 2.01554548731101
Energy: 2.137088337898895
Energy: 1.9018822367448582
Energy: 2.1370883378994305
Energy: 2.015545487310474
Energy: 2.137088337899967
Energy: 1.7730244198050538
Energy: 1.78907781765713
Energy: 2.196251099938557
Energy: 1.7890778176560578
Energy: 1.7730244198050538
Energy: 1.7890778176582023
Energy: 1.8522311664417077
Energy: 2.1544955871507834
Energy: 1.9402560129479738
Energy: 2.1544955871743707
Energy: 1.8522311664379556
Energy: 2.154495587160433
Energy: 1.7833465144866794
Energy: 1.8443012622503017
Energy: 2.197239460469797
Energy: 1.8443012622513737
Energy: 1.7833465144866794
Energy: 1.8443012622513737
Energy: 2.1534815428600895
Energy: 1.9346445124321654
Energy: 1.777497410691394
Energy: 1.9346445124321654
Energy: 2.153481542859017
Energy: 1.934644512430557
Energy: 1.9445918861557316
Energy: 2.4548014429651164
Energy: 1.7169079839960608
Energy: 2.4548014429661884
Energy: 1.9445918861551956
Energy: 2.4548014429651164
Energy: 2.4349328840810993
Energy: 1.7725487906171635
Energy: 1.790246781253866
Energy: 1.7725487906182358
Energy: 2.4349328840810993
Energy: 1.7893992131852856
Energy: 1.9086380628121726
Energy: 2.438972203252768
Energy: 1.9035104207259745
Energy: 2.4389722032538406
Energy: 1.9086380628121726
Energy: 2.438972203253304
Energy: 1.7328767448257683
Energy: 2.1337044906508056
Energy: 1.792359645515315
Energy: 2.1337044908764007
Energy: 1.732876744817191
Energy: 2.1337044907225926
Energy: 1.7871283624710326
Energy: 1.9586479982843437
Energy: 2.545287420832474
Energy: 1.958648131504851
Energy: 1.7871283624721048
Energy: 1.9586474897302188
Energy: 1.7523213113329692
Energy: 2.578355634838257
Energy: 2.495604865541237
Energy: 2.578355634838257
Energy: 1.7523213113324332
Energy: 2.578355634838257
Energy: 1.7483993329698904
Energy: 2.563057684612415
Energy: 1.913396489023027
Energy: 2.563057684611343
Energy: 1.7483993329709626
Energy: 2.563057684612415
Energy: 1.9062898229325695
Energy: 2.4768922127112454
Energy: 1.7922855068042003
Energy: 2.4768922127107094
Energy: 1.9062898229792091
Energy: 2.4768922127112454
Energy: 1.9061546661471367
Energy: 2.554946869523783
Energy: 1.7366774892228387
Energy: 2.5549468695286075
Energy: 1.9061546661471367
Energy: 2.5549468695098447
Energy: 2.4664093503288704
Energy: 2.532059051636863
Energy: 1.739909549633563
Energy: 2.5320590516373986
Energy: 2.466409350329943
Energy: 2.5320590516363266
Energy: 2.322106946807524
Energy: 2.176086271938275
Energy: 1.7459366716249327
Energy: 2.1760862725539463
Energy: 2.322106946808596
Energy: 2.1760862708676125
Energy: 1.7990415767889947
Energy: 2.1763865205983266
Energy: 1.7589333448638809
Energy: 2.1763863754304946
Energy: 1.7990415767895307
Energy: 2.4914978100395575
Energy: 1.759691994830719
Energy: 2.2226228032159394
Energy: 2.482659961218128
Energy: 2.2226228031542896
Energy: 1.759691994830183
Energy: 2.222622803255025
Energy: 1.7394823210918529
Energy: 2.1760718224377347
Energy: 2.466638723860513
Energy: 2.176056543167401
Energy: 1.7394823210902444
Energy: 2.1761170720424667
Energy: 1.7451567265572536
Energy: 2.519077558733456
Energy: 1.90841749739881
Energy: 2.5190775587329197
Energy: 1.745156726552429
Energy: 2.5190775587372083
Energy: 1.7918588282821868
Energy: 2.462139330836033
Energy: 1.9097406682516482
Energy: 2.462139330833889
Energy: 1.7918588282821868
Energy: 2.4621393308317443
Energy: 1.8868353887250353
Energy: 2.563490710110586
Energy: 1.7438342547494288
Energy: 2.5634907101052247
Energy: 1.886835388725571
Energy: 2.5634907101100497
Energy: 2.4956212374246536
Energy: 2.577192945796757
Energy: 1.7556326700926868
Energy: 2.577192945795685
Energy: 2.49562123742519
Energy: 2.577192945796221
Energy: 2.2364871127699124
Energy: 1.941446771912994
Energy: 1.787663323144134
Energy: 1.9414467766670593
Energy: 2.2364871127597272
Energy: 1.9414467631363292
Energy: 1.792134038067256
Energy: 2.1545708003358546
Energy: 1.7336440889524594
Energy: 2.1545708080633004
Energy: 1.79213403806672
Energy: 2.1545707947008528
Energy: 1.8959696480859956
Energy: 2.487868777887419
Energy: 1.9077571472430797
Energy: 2.487868777889564
Energy: 1.8959696479638168
Energy: 2.487868777887419
Energy: 1.7877357594876977
Energy: 1.8984415614191414
Energy: 2.4401538573381147
Energy: 1.8984415804509003
Energy: 1.7877357594871617
Energy: 1.898441548292475
Energy: 1.7138962561757276
Energy: 2.439437476938699
Energy: 1.9454916446797117
Energy: 2.4394374769220804
Energy: 1.7138962561757276
Energy: 2.439437476972473
Energy: 1.7517430263629012
Energy: 1.9349317959198693
Energy: 2.1488259060502815
Energy: 1.9349317959204053
Energy: 1.7517430263629012
Energy: 1.9349317959204053
Energy: 2.1980706900864453
Energy: 1.8452504733775117
Energy: 1.7833525893711764
Energy: 1.8452504733759036
Energy: 2.198070690083229
Energy: 1.8452504733769757
Energy: 1.9401939580033023
Energy: 2.1558851732125883
Energy: 1.8525048808682605
Energy: 2.155885173254891
Energy: 1.9401939580033023
Energy: 2.1558851733272624
Energy: 2.188129802344309
Energy: 1.789077817656594
Energy: 1.7730216264083616
Energy: 1.78907781765713
Energy: 2.1881298023453812
Energy: 1.78907781765713
Energy: 1.9018852586391801
Energy: 2.1389722759531526
Energy: 2.0115195018009424
Energy: 2.1389722744790607
Energy: 1.9018852586391801
Energy: 2.1389722875425177
Energy: 2.184159292943277
Energy: 1.8595575615502389
Energy: 1.7872520947658859
Energy: 1.859557561550775
Energy: 2.1841592933687353
Energy: 1.8595575615502389
Energy: 1.73061626563652
Energy: 1.7678793443519343
Energy: 2.2269725266072786
Energy: 1.7678793444210408
Energy: 1.7306162656370558
Energy: 1.7678793443176248
Energy: 2.095787815347674
Energy: 2.4503937316165216
Energy: 2.496566394730931
Energy: 2.4503937316159856
Energy: 2.0957878153492824
Energy: 2.4503937316154496
Energy: 1.7314165729569417
Energy: 1.7513606454040112
Energy: 2.227206479705157
Energy: 1.7513606450080381
Energy: 1.73141657295855
Energy: 1.751360647170173
Energy: 2.163750309060162
Energy: 1.835025234551732
Energy: 1.7872449869687685
Energy: 1.835025234551732
Energy: 2.1637503090606987
Energy: 1.835025234552268
Energy: 1.9018822367453943
Energy: 2.1370883378962144
Energy: 2.015545487309938
Energy: 2.1370883378946064
Energy: 1.9018822367448582
Energy: 2.1370883379015755
Energy: 2.196251099940165
Energy: 1.789077817657666
Energy: 1.773024419804518
Energy: 1.7890778176603466
Energy: 2.1962510999407012
Energy: 1.7890778176592743

minimum gb energy = 1.7138962561757276 eV
minimum distance =  2.35318656729395 Angstroms
sigma value = 57


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

Energy: 1.9355193768758436
Energy: 2.4355756637489527
Energy: 2.334449976346869
Energy: 2.435575663747207
Energy: 1.9355193768758436
Energy: 2.4355756637454613
Energy: 1.9563638202621962
Energy: 1.6471034215626945
Energy: 1.6544408730269835
Energy: 1.647103421560076
Energy: 1.9563638202665607
Energy: 1.6471034215618219
Energy: 1.8126323981601835
Energy: 1.8816524438630542
Energy: 1.6894216008538434
Energy: 1.881652443865673
Energy: 1.8126323981601835
Energy: 1.8816524438648001
Energy: 2.148624703792726
Energy: 1.8803581753873055
Energy: 1.8807696948129236
Energy: 1.880358175398653
Energy: 2.148624703795345
Energy: 1.880358175383814
Energy: 1.8184864551656574
Energy: 1.6953961477870676
Energy: 1.9759353125959829
Energy: 1.6953961477870676
Energy: 1.8184864551656574
Energy: 1.6953961477879402
Energy: 1.890994927453915
Energy: 1.8784225624591775
Energy: 1.8807295859176802
Energy: 1.8784225624565587
Energy: 1.8909949274495508
Energy: 1.878422562454813
Energy: 1.8187169122253302
Energy: 1.8860139648755476
Energy: 1.7005890357301385
Energy: 1.8860139648755476
Energy: 1.818716912226203
Energy: 1.8860139648755476
Energy: 2.346997055196673
Energy: 1.7521811522100592
Energy: 1.6488525161498777
Energy: 1.7521811522091866
Energy: 2.3469970551975456
Energy: 1.7521811522109323
Energy: 1.936681901439177
Energy: 2.540928553292296
Energy: 1.7026673745937622
Energy: 2.540928553292296
Energy: 1.936681901439177
Energy: 2.5409285532931696
Energy: 1.9073233544204047
Energy: 1.6461602481220554
Energy: 1.6719191829652151
Energy: 1.6461602481229285
Energy: 1.9073233545618107
Energy: 1.6461602481220554
Energy: 1.8193785596448044
Energy: 2.033584867896265
Energy: 1.8911385568939862
Energy: 2.0335848683639686
Energy: 1.8193785596456773
Energy: 2.033584867526324
Energy: 1.7398861684192006
Energy: 2.2926277491800473
Energy: 1.8906749809384245
Energy: 2.2926277491791742
Energy: 1.7398861684192006
Energy: 2.292627749178301
Energy: 1.8312284429445533
Energy: 2.0347833378871836
Energy: 1.8860357768225215
Energy: 2.0347833378871836
Energy: 1.8312284429436807
Energy: 2.034783337888056
Energy: 1.9031991785349067
Energy: 2.3323299949874285
Energy: 1.8902597533144567
Energy: 2.3323299949883016
Energy: 1.9031991785349067
Energy: 2.3323299949874285
Energy: 1.8138760204773956
Energy: 1.8811517453850366
Energy: 1.6969259879223204
Energy: 1.881151745390274
Energy: 1.8138760204773956
Energy: 1.8811517453667064
Energy: 2.573644697775157
Energy: 2.710745885358208
Energy: 1.6683855128562664
Energy: 2.710745885357335
Energy: 2.573644697775157
Energy: 2.7107458853555895
Energy: 1.9356844162753593
Energy: 2.643883101702123
Energy: 1.6853819679577189
Energy: 2.643883101699504
Energy: 1.9356844162753593
Energy: 2.64388310170125
Energy: 1.8916327904919403
Energy: 1.879844780045202
Energy: 1.6988839975439527
Energy: 1.8798447799928297
Energy: 1.8916327904928134
Energy: 1.8798447800696427
Energy: 1.8151424090895933
Energy: 2.3030539364017506
Energy: 1.8938373589365314
Energy: 2.303053936400878
Energy: 1.8151424090887207
Energy: 2.3030539364017506
Energy: 1.8854725556763248
Energy: 2.5368166324046855
Energy: 1.8849878245057166
Energy: 2.5368166324029398
Energy: 1.8854725556763248
Energy: 2.5368166324029398
Energy: 1.696546884418997
Energy: 2.030466575659574
Energy: 1.8874704904220587
Energy: 2.030466575557526
Energy: 1.6965468844198697
Energy: 2.030466575730277
Energy: 1.8142852513370615
Energy: 2.2437649115413927
Energy: 1.8857097909429046
Energy: 2.243763773388991
Energy: 1.8142852513370615
Energy: 2.243765284112006
Energy: 1.8868364962479072
Energy: 1.8931888340556258
Energy: 1.691089371705326
Energy: 1.893188836214172
Energy: 1.8868364962479072
Energy: 1.8931888371572763
Energy: 1.9357217411472774
Energy: 2.6056482751547807
Energy: 1.6885747359877672
Energy: 2.6056482751556542
Energy: 1.93572174114815
Energy: 2.605648275156527
Energy: 1.9387342598934059
Energy: 2.6784756029860977
Energy: 1.684118357285765
Energy: 2.678475602983479
Energy: 1.938734259894279
Energy: 2.678475602983479
Energy: 1.8149966177652035
Energy: 1.8915954953160221
Energy: 1.6968942419679465
Energy: 1.8915954952767426
Energy: 1.8149966177643306
Energy: 1.8915954954023577
Energy: 1.817190817109962
Energy: 2.2669602045933153
Energy: 1.8856104232621804
Energy: 2.266960201279635
Energy: 1.8171908171073434
Energy: 2.2669602014986476

minimum gb energy = 1.6461602481220554 eV
minimum distance =  2.32277134226339 Angstroms
sigma value = 43


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

Energy: 2.0459858100423105
Energy: 2.3130621444248836
Energy: 2.4551435233189602
Energy: 2.3130621444242476
Energy: 2.0459858100423105
Energy: 2.3130621444248836
Energy: 1.9376141309627322
Energy: 1.7415453572899686
Energy: 1.7942522703324364
Energy: 1.7415453572893327
Energy: 1.9376141309601884
Energy: 1.7415453572893327
Energy: 1.7926142163481908
Energy: 1.882763941423325
Energy: 2.0760874380819
Energy: 1.882763941423961
Energy: 1.7926142163481908
Energy: 1.882763941423961
Energy: 2.0396965922812265
Energy: 2.2784507961728124
Energy: 1.9074746550019652
Energy: 2.2784507961728124
Energy: 2.0396965922812265
Energy: 2.2784507961728124
Energy: 1.7988424774155796
Energy: 1.7293513073519522
Energy: 1.990786936780373
Energy: 1.7293513073513163
Energy: 1.7988424774155796
Energy: 1.7293513073519522
Energy: 1.8766982352134238
Energy: 1.8724537694367211
Energy: 1.8208933322241247
Energy: 1.8724537694360852
Energy: 1.8766982360042388
Energy: 1.8724537694360852
Energy: 1.8198449015872546
Energy: 1.8761371040749208
Energy: 2.176234608196509
Energy: 1.8761371040800086
Energy: 1.8198449015872546
Energy: 1.8761371040742847
Energy: 2.0995971604447323
Energy: 1.7291138851040018
Energy: 1.795504510298099
Energy: 1.7291138851040018
Energy: 2.099597160448548
Energy: 1.7291138851033656
Energy: 1.9791568776809985
Energy: 2.2790453039809764
Energy: 1.8857009714357158
Energy: 2.2790453039657126
Energy: 1.9791568776803623
Energy: 2.279045304010867
Energy: 2.144627008665131
Energy: 1.889326096410458
Energy: 1.7926879899737476
Energy: 1.8893260964155456
Energy: 2.144627008664495
Energy: 1.8893260964123657
Energy: 1.7926282390829822
Energy: 1.8044604442918886
Energy: 2.5641411040956803
Energy: 1.8044604442918886
Energy: 1.7926282390836181
Energy: 1.8044604442899805
Energy: 1.6845076581466398
Energy: 2.684281509286
Energy: 2.0473194927912335
Energy: 2.684281509286636
Energy: 1.6845076581447318
Energy: 2.684281509286
Energy: 1.7923107264229123
Energy: 1.7405356092506414
Energy: 1.8854621951014388
Energy: 1.7405356092506414
Energy: 1.7923107264229123
Energy: 1.7405356092506414
Energy: 1.9774891376380612
Energy: 2.012125555751081
Energy: 1.7925873282375069
Energy: 2.012125555751081
Energy: 1.9774891376367894
Energy: 2.0121255557498094
Energy: 1.908915189457871
Energy: 2.567398626164684
Energy: 1.7102312922965515
Energy: 2.5673986261519643
Energy: 1.908915189457871
Energy: 2.567398626173588
Energy: 1.8768830808474297
Energy: 2.031698747022343
Energy: 1.7961917849922595
Energy: 2.031699293912284
Energy: 1.8768830808480657
Energy: 2.0316984375325076
Energy: 1.8198593558896352
Energy: 2.325269875179762
Energy: 1.87619255090572
Energy: 2.325269878896037
Energy: 1.8198593558889993
Energy: 2.3252698725097942
Energy: 1.7681399750835394
Energy: 1.8885698369541635
Energy: 1.8196897900981448
Energy: 1.8885698458202744
Energy: 1.7681399750841753
Energy: 1.8885698376890698
Energy: 1.734286703640705
Energy: 1.8953260366611653
Energy: 1.976976438226335
Energy: 1.8953260366598932
Energy: 1.734286703640705
Energy: 1.8953260366618012
Energy: 1.733278219335805
Energy: 2.643061512510607
Energy: 1.9789429267553327
Energy: 2.6430615125099712
Energy: 1.733278219335805
Energy: 2.6430615125118795
Energy: 1.7926709413169666
Energy: 1.8911486206067214
Energy: 1.7410645274906438
Energy: 1.8911486224413565
Energy: 1.7926709413188748
Energy: 1.8911486198686354
Energy: 2.677686956202543
Energy: 2.052078727966216
Energy: 1.7931430837067894
Energy: 2.0520787832600638
Energy: 2.677686956203179
Energy: 2.0520790722472806
Energy: 2.32302658623485
Energy: 2.6511841222357035
Energy: 1.7712645961335627
Energy: 2.6511841222350676
Energy: 2.32302658623485
Energy: 2.651184122237612
Energy: 1.747599285278774
Energy: 2.7030126485678605
Energy: 1.7430278119026847
Energy: 2.7030126485754917
Energy: 1.7475992852781381
Energy: 2.7030126485672246
Energy: 1.803383495761545
Energy: 2.6524417340168243
Energy: 1.9772783580361473
Energy: 2.6524417340174606
Energy: 1.8033834957609092
Energy: 2.6524417340180966
Energy: 1.72044116280096
Energy: 2.635153427844395
Energy: 2.0288639067665217
Energy: 2.635153427844395
Energy: 1.720441162802232
Energy: 2.635153427844395
Energy: 1.745816129387664
Energy: 2.7145486032293484
Energy: 1.87784876376584
Energy: 2.7145486032306203
Energy: 1.7458161293806682
Energy: 2.7145486032268042
Energy: 1.8775323314464236
Energy: 2.63635943319769
Energy: 1.8773002809505641
Energy: 2.63635943319769
Energy: 1.8775323314464236
Energy: 2.6363594331983258
Energy: 1.8765509884849136
Energy: 2.711211053128359
Energy: 1.7431334914568415
Energy: 2.7112110531277227
Energy: 1.8765509884843352
Energy: 2.7112110531270868
Energy: 1.9782312035144116
Energy: 2.6374251411335097
Energy: 1.6916982432092216
Energy: 2.6374251411335097
Energy: 1.9782312035144116
Energy: 2.6374251411335097
Energy: 1.9479533973825836
Energy: 2.311684765269155
Energy: 1.7629512770370561
Energy: 2.311684765273607
Energy: 1.9479533973781316
Energy: 2.311684765266611
Energy: 1.784770038012589
Energy: 2.7054426513752277
Energy: 1.7336507102212195
Energy: 2.7054426513758636
Energy: 1.784770038013225
Energy: 2.7054426513752277
Energy: 1.7622050076552958
Energy: 2.65289691096888
Energy: 2.61775904339569
Energy: 2.6528969109714238
Energy: 1.7622050076552958
Energy: 2.6528969109580682
Energy: 1.7931573793150342
Energy: 2.0542127523301956
Energy: 2.6818700968606377
Energy: 2.0542014619926183
Energy: 1.79315737931567
Energy: 2.0542262758180874
Energy: 1.7132642857158986
Energy: 1.887615906912556
Energy: 1.7925323492970289
Energy: 1.8876159068490155
Energy: 1.7132642857152627
Energy: 1.887615906158628
Energy: 1.9981173964181698
Energy: 2.63420630136516
Energy: 1.7332604304307995
Energy: 2.6342063013632524
Energy: 1.9981173964175338
Energy: 2.6342063013645243

minimum gb energy = 1.6845076581447318 eV
minimum distance =  2.2208313083656 Angstroms
sigma value = 81


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

Energy: 1.6153577892161384
Energy: 1.616089988164988
Energy: 2.9938678000041774
Energy: 1.6160899881656787
Energy: 1.6153577892161384
Energy: 1.616089988164988
Energy: 2.2091522778231623
Energy: 1.6164558166396947
Energy: 1.6155250851176315
Energy: 1.6164558166401457
Energy: 2.2091522778240917
Energy: 1.6164558166396947
Energy: 1.61551116646598
Energy: 1.6161436482181004
Energy: 2.209041648337573
Energy: 1.6161436482173837
Energy: 1.6155111664657409
Energy: 1.6161436482176226
Energy: 2.9938678000039385
Energy: 1.6160899881656787
Energy: 1.6153577892161384
Energy: 1.6160899881661563
Energy: 2.9938678000039385
Energy: 1.616089988164988
Energy: 1.6155250851171534
Energy: 1.6164558166399334
Energy: 2.20915227782364
Energy: 1.6164558166394554
Energy: 1.6155250851173926
Energy: 1.6164558166394554
Energy: 2.209041648337812
Energy: 1.6161436482176226
Energy: 1.6155111664657409
Energy: 1.6161436482178615
Energy: 2.209041648337573
Energy: 1.6161436482178615
Energy: 1.6153577892163773
Energy: 1.6160899881652007
Energy: 2.9938678000039385
Energy: 1.6160899881654396
Energy: 1.6153577892161384
Energy: 1.616089988164988
Energy: 2.2091522778238524
Energy: 1.6164558166394554
Energy: 1.6155250851176315
Energy: 1.6164558166399334
Energy: 2.2091522778234007
Energy: 1.6164558166389773
Energy: 1.6155111664657409
Energy: 1.6161436482178615
Energy: 2.306730640192276
Energy: 1.6161436482176226
Energy: 1.61551116646598
Energy: 1.6161436482178615
Energy: 2.5669780519754326
Energy: 1.616089988164988
Energy: 1.6153577892161384
Energy: 1.6160899881652007
Energy: 2.5669780519662986
Energy: 1.6160899881654396

minimum gb energy = 1.6153577892161384 eV
minimum distance =  2.33819966602471 Angstroms
sigma value = 3


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

Energy: 2.6912068903199478
Energy: 2.7201662841088865
Energy: 2.588328542341422
Energy: 2.720164967786864
Energy: 2.691206890319248
Energy: 2.7201662273813687
Energy: 2.331115237656521
Energy: 1.9022489541964958
Energy: 1.78718421617995
Energy: 1.9022489541902343
Energy: 2.3311152376285498
Energy: 1.9022489541936987
Energy: 1.6957515338048044
Energy: 1.7568135604373263
Energy: 2.0564904136705513
Energy: 1.7568135604352284
Energy: 1.6957515338048044
Energy: 1.7568135604373263
Energy: 2.483704404353063
Energy: 2.6300755483503355
Energy: 1.9953635757665136
Energy: 2.6300755482525005
Energy: 2.483704384812018
Energy: 2.630075547346617
Energy: 1.93275669715521
Energy: 1.9328399973898376
Energy: 2.5855662730702904
Energy: 1.9328399973905372
Energy: 1.93275669715521
Energy: 1.9328399973898376
Energy: 2.1367093878174512
Energy: 1.7447704925459169
Energy: 1.7813515980132049
Energy: 1.7447704925459169
Energy: 2.1367093878195487
Energy: 1.7447704925459169
Energy: 1.9451943134394067
Energy: 1.9329148896262167
Energy: 1.9071862850788237
Energy: 1.9329148893864598
Energy: 1.9451943134394067
Energy: 1.932914889880659
Energy: 1.9211510749924043
Energy: 2.3952416013254556
Energy: 1.9855353684981043
Energy: 2.3952517444042507
Energy: 1.9211510749917051
Energy: 2.395230787601022
Energy: 1.6948535864685441
Energy: 2.037739252494107
Energy: 2.4898559570317054
Energy: 2.037739252494806
Energy: 1.6948535864692433
Energy: 2.037739252485747
Energy: 1.738876386435222
Energy: 2.0179797946581615
Energy: 1.7874449798917138
Energy: 2.017979795711497
Energy: 1.7388763864345227
Energy: 2.0179797962664696
Energy: 2.401186227953035
Energy: 2.420431553322664
Energy: 1.9217631846126362
Energy: 2.4202752884084155
Energy: 2.401186227953035
Energy: 2.357765173071012
Energy: 2.391863743453162
Energy: 2.2770531337883404
Energy: 1.7892714237687
Energy: 2.2770531337869415
Energy: 2.3918637434440715
Energy: 2.27705313378904
Energy: 1.6956509418542058
Energy: 1.782571290686719
Energy: 1.7745912314881085
Energy: 1.7825712880327356
Energy: 1.6956509418542058
Energy: 1.7825712715035458
Energy: 1.7575742991279224
Energy: 2.518118164592572
Energy: 1.9916508535225455
Energy: 2.518118164687642
Energy: 1.7575742991272232
Energy: 2.5181181645590067
Energy: 1.9237839384372304
Energy: 2.1876726335479537
Energy: 1.9944385757688046
Energy: 2.187672604712039
Energy: 1.9237839384372304
Energy: 2.187672610436585
Energy: 1.9448887214415023
Energy: 2.0061533769082778
Energy: 1.7792211131709532
Energy: 2.00615321256209
Energy: 1.9448887214415023
Energy: 2.0061532254783
Energy: 1.9239086790540885
Energy: 2.158364653069899
Energy: 1.7799669178799153
Energy: 2.158372638568645
Energy: 1.9239086790540885
Energy: 2.1583388702512276
Energy: 1.9447900079479663
Energy: 2.2245194810731928
Energy: 2.0119298828521086
Energy: 2.2245194813143163
Energy: 1.9447900079479663
Energy: 2.2245194808963387
Energy: 1.7424649817106266
Energy: 2.2085862951808832
Energy: 1.9944014088847546
Energy: 2.2085000816079776
Energy: 1.7424649817099274
Energy: 2.208610031827977
Energy: 1.7271093528471304
Energy: 2.446065678929576
Energy: 1.7901610785412774
Energy: 2.446065678926779
Energy: 1.727109352845732
Energy: 2.44606567891629
Energy: 2.5745225988267153
Energy: 2.2960838263649475
Energy: 1.7890365207790841
Energy: 2.2960838263642804
Energy: 2.5745225988267153
Energy: 2.2960838263642804
Energy: 2.5596761351362685
Energy: 2.3007545477097615
Energy: 1.9203756534372578
Energy: 2.3007545477090625
Energy: 2.5596761351362685
Energy: 2.300754547710461
Energy: 1.7433922948366665
Energy: 2.0929316179792004
Energy: 1.7873743461494518
Energy: 2.0929316177303527
Energy: 1.7433922948366665
Energy: 2.0929316181217894
Energy: 1.6969230666781612
Energy: 2.187880235724105
Energy: 2.5719857671991013
Energy: 2.1878802356192453
Energy: 1.6969230666781612
Energy: 2.187880236182609
Energy: 1.9248034153714477
Energy: 2.263604404140707
Energy: 1.9939350280538506
Energy: 2.2636044041442034
Energy: 1.924803415372846
Energy: 2.263604404126022
Energy: 1.9437986946272068
Energy: 2.55387983327404
Energy: 1.7449686392733958
Energy: 2.5538798332789345
Energy: 1.9437986946265076
Energy: 2.5538798332761377
Energy: 1.9243412847847667
Energy: 2.1952965569320786
Energy: 1.7801681524514186
Energy: 2.195296556937673
Energy: 1.9243412847868646
Energy: 2.195296556931379
Energy: 1.9439545546895098
Energy: 2.3842285485136534
Energy: 2.5008073608414088
Energy: 2.384228547772768
Energy: 1.9439545546895098
Energy: 2.384228548019486
Energy: 1.9310731466771218
Energy: 2.6344965582817896
Energy: 1.9948982320766055
Energy: 2.6344965583181525
Energy: 1.9310731466764226
Energy: 2.6344965582761954
Energy: 1.6973879934023361
Energy: 1.7714092850637992
Energy: 2.1698675504765643
Energy: 1.7714092850644985
Energy: 1.6973879934023361
Energy: 1.7714092850637992
Energy: 2.700022549374566
Energy: 1.922058609745828
Energy: 1.788836815388346
Energy: 1.922058609745828
Energy: 2.700022549374566
Energy: 1.9220586097472268
Energy: 2.425887733533835
Energy: 2.9539014995869772
Energy: 1.9208422343945097
Energy: 2.9539014995848794
Energy: 2.425887733533835
Energy: 2.9539014995862773
Energy: 2.4762265989069014
Energy: 1.9370118232693905
Energy: 1.7859857717744032
Energy: 1.93701182327009
Energy: 2.4762265989069014
Energy: 1.9370118232693905

minimum gb energy = 1.6948535864685441 eV
minimum distance =  2.31674157564717 Angstroms
sigma value = 67


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

Energy: 2.0847060610710915
Energy: 2.9642437553710743
Energy: 2.5086244901546553
Energy: 2.964243755370078
Energy: 2.0847060610710915
Energy: 2.9642437553710743
Energy: 2.6153874223970983
Energy: 1.9408397186091082
Energy: 1.7891992869308566
Energy: 1.940839676023247
Energy: 2.615387422398095
Energy: 1.9408399953318558
Energy: 1.7096558677270497
Energy: 1.7906965039770295
Energy: 2.0756774334174817
Energy: 1.7906965039750367
Energy: 1.7096558677270497
Energy: 1.7906965039750367
Energy: 2.3891953197593563
Energy: 2.406212322397718
Energy: 1.9619156852407418
Energy: 2.4062123223031064
Energy: 2.3891953197603524
Energy: 2.406212322403696
Energy: 1.9828796026687985
Energy: 2.432226987266552
Energy: 2.377549503002291
Energy: 2.432226989224599
Energy: 1.9828796026687985
Energy: 2.4322269877037415
Energy: 2.000634082134947
Energy: 2.1263074458915114
Energy: 1.7584278193796932
Energy: 2.1263074461086346
Energy: 2.0006340821339506
Energy: 2.1263074458327242
Energy: 1.877256942333562
Energy: 2.0155459432021714
Energy: 1.7826302868946189
Energy: 2.0155459461770824
Energy: 1.877256942333562
Energy: 2.015545942894422
Energy: 1.9117700029999867
Energy: 2.320341540488368
Energy: 2.3339549433757827
Energy: 2.3203416095933513
Energy: 1.9117700029999867
Energy: 2.3203414806685845
Energy: 1.9009320306389554
Energy: 1.9833195362957965
Energy: 2.3346807558118097
Energy: 1.9833195358774927
Energy: 1.9009320306389554
Energy: 1.9833195361563922
Energy: 1.8990163961799835
Energy: 2.4395372295156292
Energy: 1.7395547859296931
Energy: 2.4395372295156292
Energy: 1.8990163961799835
Energy: 2.4395372295146327
Energy: 1.9872757701906145
Energy: 2.2776216227701167
Energy: 1.798150270254462
Energy: 2.2776216227950266
Energy: 1.9872757701906145
Energy: 2.277621622745207
Energy: 1.9947060076694658
Energy: 2.195182560228101
Energy: 1.9974168652308149
Energy: 2.1951825602261086
Energy: 1.9947060076694658
Energy: 2.1951825602261086
Energy: 1.781142406511364
Energy: 2.356281279141655
Energy: 1.9954188087768858
Energy: 2.3562812791426513
Energy: 1.781142406511364
Energy: 2.3562812791426513
Energy: 1.7482632589121094
Energy: 2.411850268506868
Energy: 1.8989353592080271
Energy: 2.411850268506868
Energy: 1.7482632589121094
Energy: 2.411850268506868
Energy: 2.561714470485703
Energy: 2.4362578130288313
Energy: 1.9653628772067138
Energy: 2.436257813029828
Energy: 2.561714470485703
Energy: 2.436257813029828
Energy: 2.6110612757492992
Energy: 2.3542251435234243
Energy: 2.0625282230535626
Energy: 2.35422514434409
Energy: 2.6110612757483027
Energy: 2.3542251431110994
Energy: 1.740672484012378
Energy: 2.0052596380840426
Energy: 1.8604377677391073
Energy: 2.0052596849325166
Energy: 1.7406724840113814
Energy: 2.0052596058092593
Energy: 1.7554727056943487
Energy: 2.2541767598254348
Energy: 1.9602725616785388
Energy: 2.2541767598264313
Energy: 1.755472705695345
Energy: 2.2541767598234417
Energy: 2.3536311658131837
Energy: 2.7946723607374677
Energy: 1.993864546765225
Energy: 2.7946723607364707
Energy: 2.3536311658131837
Energy: 2.7946723607364707
Energy: 1.954037164207812
Energy: 2.758807831922656
Energy: 2.2019922420655305
Energy: 2.7588078319216596
Energy: 1.954037164207812
Energy: 2.7588078319216596
Energy: 2.1985312731390505
Energy: 1.7522157413534343
Energy: 1.7731384029099362
Energy: 1.7522157412538404
Energy: 2.198531273138054
Energy: 1.7522157416990012
Energy: 1.7888756048858778
Energy: 1.9410693767492881
Energy: 2.6140425855603975
Energy: 1.9410693767502847
Energy: 1.7888756048858778
Energy: 1.9410693767492881
Energy: 2.334025908675595
Energy: 2.9149380791380857
Energy: 1.835568968604115
Energy: 2.9149380790992714
Energy: 2.3340259087164466
Energy: 2.9149380791331034

minimum gb energy = 1.7096558677270497 eV
minimum distance =  2.41790509017436 Angstroms
sigma value = 33


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

Energy: 2.2347805884286434
Energy: 3.0058108315797982
Energy: 2.423106284973745
Energy: 3.0058108315797982
Energy: 2.2347805884286434
Energy: 3.0058108315797982
Energy: 2.6047352977850724
Energy: 1.998935583103121
Energy: 1.7069168644939547
Energy: 1.9989355831018565
Energy: 2.6047352977850724
Energy: 1.9989355831062812
Energy: 1.7084569762722006
Energy: 1.7714346054513412
Energy: 2.2559617897056
Energy: 1.7714346054532377
Energy: 1.7084569762722006
Energy: 1.7714346054513412
Energy: 1.7900762640957755
Energy: 2.2452800123257024
Energy: 1.7334987574822804
Energy: 2.245280007360905
Energy: 1.7900762640970398
Energy: 2.245280008897464
Energy: 2.100843925258197
Energy: 2.560159957457485
Energy: 1.9983174158196568
Energy: 2.560159912612145
Energy: 2.100843925258829
Energy: 2.5601601580722027
Energy: 2.1153955663935715
Energy: 2.1565295260343373
Energy: 1.7066459599483503
Energy: 2.1565295260343373
Energy: 2.1153955663929396
Energy: 2.1565295260337054
Energy: 1.7069783902304978
Energy: 2.06839126082024
Energy: 1.724727324637914
Energy: 2.06839126082024
Energy: 1.7069783902304978
Energy: 2.0683912608189763
Energy: 1.7188413054155234
Energy: 2.3423974305617192
Energy: 2.036084389452097
Energy: 2.3423974305712005
Energy: 1.7188413054155234
Energy: 2.342397430552927
Energy: 1.9997798496353727
Energy: 2.112767017419611
Energy: 2.073242372339724
Energy: 2.112767017421507
Energy: 1.9997798496353727
Energy: 2.112767017416451
Energy: 1.7380115144458168
Energy: 2.271118309288456
Energy: 1.70621385815761
Energy: 2.2711183092878247
Energy: 1.7380115144470807
Energy: 2.2443320208264708
Energy: 1.7046338023335739
Energy: 2.167586439966552
Energy: 1.6948168831623498
Energy: 2.1675864399652878
Energy: 1.704633802334838
Energy: 2.1675864399659206
Energy: 1.7059657046642582
Energy: 2.3596176716784125
Energy: 2.512188240190324
Energy: 2.3596176716796764
Energy: 1.7059657046642582
Energy: 2.3596176716784125
Energy: 1.9963350411840197
Energy: 2.5726575693902753
Energy: 2.213147842787179
Energy: 2.5726575693871148
Energy: 1.9963350411107545
Energy: 2.5726575693858504
Energy: 1.7057757428700246
Energy: 2.165890638285615
Energy: 1.709607616434353
Energy: 2.1658906382894076
Energy: 1.7057757428693927
Energy: 2.1658906382843512
Energy: 2.07827904302313
Energy: 1.769756327596339
Energy: 1.7097149392335722
Energy: 1.7697563275950747
Energy: 2.0782790430256584
Energy: 1.7697563275950747
Energy: 1.7334658458181387
Energy: 2.0217082487142246
Energy: 2.66107228372283
Energy: 2.0217082487135922
Energy: 1.7334658458181387
Energy: 2.021708248714857
Energy: 2.3583162337810917
Energy: 2.8738881481133833
Energy: 2.178059613917712
Energy: 2.8738881481152796
Energy: 2.358316233781723
Energy: 2.8738881481133833
Energy: 1.7080879556536641
Energy: 1.7230034163436725
Energy: 2.5257474282947134
Energy: 1.7230034163417767
Energy: 1.7080879556536641
Energy: 1.7230034163462011
Energy: 1.8578141625986904
Energy: 1.7211465887940267
Energy: 1.7002947304478788
Energy: 1.7211465887940267
Energy: 1.8578141625974258
Energy: 1.7211465887940267
Energy: 2.163393121246626
Energy: 2.35992069361224
Energy: 1.7205585598173991
Energy: 2.359920693610976
Energy: 2.163393121247258
Energy: 2.359920693610976
Energy: 2.2945283690369056
Energy: 2.4805231950435
Energy: 1.733310596988246
Energy: 2.4805239475912133
Energy: 2.2945283690444915
Energy: 2.4805230057779997
Energy: 1.7166412930736037
Energy: 2.062718241970366
Energy: 2.0017781492522886
Energy: 2.062718241969733
Energy: 1.7166412930736037
Energy: 2.062718241970366
Energy: 1.694639349617905
Energy: 2.166570946028426
Energy: 1.7221459978001485
Energy: 2.1665709460290583
Energy: 1.694639349617905
Energy: 2.1665709460290583
Energy: 2.2325714990812333
Energy: 2.3775086741412035
Energy: 1.7069866217735798
Energy: 2.377508674126665
Energy: 2.2325714990812333
Energy: 2.377508674126033
Energy: 2.467590594590129
Energy: 2.2296688016731894
Energy: 1.7136406202325891
Energy: 2.2296688016731894
Energy: 2.467590594590129
Energy: 2.229668801672557
Energy: 1.6923057784364954
Energy: 2.1642617223565126
Energy: 1.7048686268463018
Energy: 2.1642617223565126
Energy: 1.6923057784364954
Energy: 2.1642617223565126
Energy: 1.7138412746229328
Energy: 2.1326841753762595
Energy: 1.9978616781630627
Energy: 2.1326841753762595
Energy: 1.7138412746216687
Energy: 2.1326841753762595
Energy: 2.114491564405883
Energy: 2.502316334097347
Energy: 1.7309500865534828
Energy: 2.5023163340828094
Energy: 2.1144915644052515
Energy: 2.502316334212331
Energy: 2.155580817447655
Energy: 2.330236065685722
Energy: 1.7189675173621664
Energy: 2.330236065470925
Energy: 2.1555808174470226
Energy: 2.3302360658354697
Energy: 1.7184409542712737
Energy: 1.723317475236518
Energy: 1.7077263510774932
Energy: 1.7233174752371498
Energy: 1.7184409542706416
Energy: 1.7233174752371498
Energy: 1.7075139358952796
Energy: 2.0562607140538756
Energy: 2.290618273229391
Energy: 2.0562607140532436
Energy: 1.7075139358952796
Energy: 2.0562607140532436
Energy: 1.9998174553960888
Energy: 2.8591267384094006
Energy: 2.1642627359873066
Energy: 2.859126738410033
Energy: 1.999817455398617
Energy: 2.8591267384094006
Energy: 1.741686846429912
Energy: 2.022806713421292
Energy: 2.4239057071322003
Energy: 2.02280671342066
Energy: 1.741686846429912
Energy: 2.022806713426981
Energy: 2.2324804388613755
Energy: 1.7797981283776532
Energy: 1.7061113254235847
Energy: 1.7797981283763888
Energy: 2.2324867751564943
Energy: 1.779798128375757
Energy: 1.7100568337044053
Energy: 1.9999643821710178
Energy: 2.276382490916511
Energy: 1.999964382168489
Energy: 1.7100568337050372
Energy: 1.9999643821729136
Energy: 2.0019359311127083
Energy: 2.7174377979084157
Energy: 2.2307529679704787
Energy: 2.717437797907152
Energy: 2.0019359311032265
Energy: 2.7174377979109443
Energy: 1.7072147577056365
Energy: 2.6819145282869736
Energy: 2.582969583655454
Energy: 2.6819145282869736
Energy: 1.7072147577056365
Energy: 2.6819145282876056

minimum gb energy = 1.6923057784364954 eV
minimum distance =  2.36755998843761 Angstroms
sigma value = 41


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

Energy: 1.5620987707136391
Energy: 2.8566643889089383
Energy: 2.4510908641048013
Energy: 2.856664388910664
Energy: 1.5620987707136391
Energy: 2.856664388910664
Energy: 2.3432452269728303
Energy: 1.4840573199519242
Energy: 1.4813854321172804
Energy: 1.4840573199519242
Energy: 2.3432452269728303
Energy: 1.4840573199519242
Energy: 1.5657543287325726
Energy: 1.692886874303092
Energy: 1.4796182575329988
Energy: 1.692886874303092
Energy: 1.5657543287325726
Energy: 1.692886874303092
Energy: 2.294454277478162
Energy: 1.484276759402241
Energy: 1.4803539871543685
Energy: 1.484276759402241
Energy: 2.29445427748334
Energy: 1.484276759402241
Energy: 1.5567987757310098
Energy: 2.0136688409686085
Energy: 1.4817792369646516
Energy: 2.013668840994496
Energy: 1.5567987757310098
Energy: 2.013668840941035
Energy: 1.5440009633326286
Energy: 1.5912909142411218
Energy: 1.4804312980276817
Energy: 1.5912909142393958
Energy: 1.544000963329177
Energy: 1.5912909142393958
Energy: 2.2899261758076963
Energy: 1.4839017732271136
Energy: 1.4868350373730423
Energy: 1.4839017732253876
Energy: 2.2899261758076963
Energy: 1.4839017732253876
Energy: 1.5775119042310406
Energy: 1.509383515869943
Energy: 1.4795090714969525
Energy: 1.5093835158716686
Energy: 1.5775119042310406
Energy: 1.509383515869943
Energy: 2.2589413328309726
Energy: 1.5919817987974065
Energy: 1.480682572136893
Energy: 1.5919817987974065
Energy: 2.258941332832699
Energy: 1.5919817987991325
Energy: 1.5506889245084667
Energy: 2.224058647457521
Energy: 1.479883754101977
Energy: 2.2240586474557946
Energy: 1.5506889245084667
Energy: 2.224058647454069
Energy: 2.338088139336542
Energy: 1.483067437915617
Energy: 1.480907349094283
Energy: 1.4830674379104396
Energy: 2.338088139336542
Energy: 1.4830674379259328
Energy: 1.5469113946866868
Energy: 1.6970734184252978
Energy: 2.313257983012486
Energy: 1.6970734184252978
Energy: 1.5469113946884128
Energy: 1.6970734184252978
Energy: 2.233231841969698
Energy: 1.498914786084041
Energy: 1.4809025409990768
Energy: 1.498914786084041
Energy: 2.2332318419731108
Energy: 1.498914786085767
Energy: 1.5506171868494625
Energy: 1.4921522999494679
Energy: 1.4799034606624002
Energy: 1.4921522999494679
Energy: 1.5506171868494625
Energy: 1.4921522999494679

minimum gb energy = 1.4795090714969525 eV
minimum distance =  2.49504335104206 Angstroms
sigma value = 11


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

Energy: 2.1925950835541164
Energy: 1.8835946007409141
Energy: 2.3319016648852258
Energy: 1.883594599673934
Energy: 2.1925950835541164
Energy: 1.8835946012350153
Energy: 2.212674732710431
Energy: 2.464793837754395
Energy: 1.7759648268975605
Energy: 2.464793837754395
Energy: 2.2126747327096723
Energy: 2.464793837754395
Energy: 1.765968635833805
Energy: 2.100231035363733
Energy: 1.9067562692729179
Energy: 2.100231035363733
Energy: 1.765968635834563
Energy: 2.100231035363733
Energy: 1.7505633823136055
Energy: 1.8125575591592131
Energy: 1.7613084689297185
Energy: 1.812557558350656
Energy: 1.7505633823136055
Energy: 1.812557559999647
Energy: 2.0337364732472603
Energy: 2.1369198219663184
Energy: 1.766784696064519
Energy: 2.1369198219382675
Energy: 2.033736473246502
Energy: 2.1369198219564627
Energy: 1.9444260334725008
Energy: 2.3118666081589803
Energy: 2.033164241237415
Energy: 2.311866608158222
Energy: 1.9444260334717425
Energy: 2.3118666081589803
Energy: 1.821739975932347
Energy: 2.2214517185215987
Energy: 2.0190156840027047
Energy: 2.2214517185170495
Energy: 1.8217399759399284
Energy: 2.221451718535245
Energy: 1.7576927397370612
Energy: 1.9280018875123708
Energy: 1.9845568191326093
Energy: 1.9280018875100962
Energy: 1.7576927397370612
Energy: 1.9280018875116127
Energy: 2.186016130134103
Energy: 1.998845511951674
Energy: 1.7790938879684912
Energy: 1.998845511951674
Energy: 2.1860161301303127
Energy: 1.998845511952432
Energy: 1.7766010633284954
Energy: 2.40228923393666
Energy: 1.92662427327531
Energy: 2.4022892339374176
Energy: 1.7766010633201559
Energy: 2.4022892339374176
Energy: 1.9675557826120444
Energy: 2.6268563390486954
Energy: 2.1044009114947912
Energy: 2.626856339047937
Energy: 1.9675557826112864
Energy: 2.6268563390486954
Energy: 1.9055270966937123
Energy: 2.5040543679725973
Energy: 2.115029028328096
Energy: 2.5040543679725973
Energy: 1.9055270966937123
Energy: 2.5040543679725973
Energy: 1.7713962213496515
Energy: 2.331582675347826
Energy: 2.033635786192942
Energy: 2.3315826756138303
Energy: 1.7713962213496515
Energy: 2.331582674862099
Energy: 1.7652510085705084
Energy: 2.012843729043988
Energy: 1.7650270319280903
Energy: 2.0128437290432304
Energy: 1.7652510085697504
Energy: 2.0128437290432304
Energy: 1.7681527455620774
Energy: 2.418013426946061
Energy: 2.1316411915488582
Energy: 2.418013426946061
Energy: 1.7681527455598374
Energy: 2.418013426944545
Energy: 2.2498343348942167
Energy: 2.448043997865793
Energy: 2.023181368706664
Energy: 2.448043997865793
Energy: 2.2498343348942167
Energy: 2.4480439978650343
Energy: 2.0192365943062285
Energy: 2.4285561535954856
Energy: 2.1396431739390844
Energy: 2.428556153596209
Energy: 2.0192365943062285
Energy: 2.428556153594727
Energy: 2.127001486869323
Energy: 2.438469363980688
Energy: 1.761292211478547
Energy: 2.438469363980688
Energy: 2.127001486869323
Energy: 2.438469363980688
Energy: 1.759023085467072
Energy: 2.2529580252922465
Energy: 1.7647157751758697
Energy: 2.252958024983821
Energy: 1.759023085467072
Energy: 2.252958025402108
Energy: 1.9045626185823064
Energy: 2.1524733251188652
Energy: 1.7658456362311998
Energy: 2.1524733251196233
Energy: 1.9045626185823064
Energy: 2.1524733251188652
Energy: 2.208313227615271
Energy: 2.2528010950918196
Energy: 1.7503486091677267
Energy: 2.2528010949857142
Energy: 2.2083132276220945
Energy: 2.252801095623793
Energy: 2.105900919116693
Energy: 1.868802598376093
Energy: 2.032100704122815
Energy: 1.8794507949723078
Energy: 2.1059009191189677
Energy: 1.8638436697265501
Energy: 2.3098336081841104
Energy: 2.4154379017370826
Energy: 1.8083238619774626
Energy: 2.4154379017378416
Energy: 2.3098336081825948
Energy: 2.4154379017370826
Energy: 1.7781048443041791
Energy: 2.0026480593998697
Energy: 2.1995848017825375
Energy: 2.0026480593998697
Energy: 1.778104844303421
Energy: 2.002648059400628
Energy: 1.9853663695335328
Energy: 1.9317762931133737
Energy: 1.7568346962411112
Energy: 1.9317762931141322
Energy: 1.9853663695342911
Energy: 1.9317762931133737
Energy: 2.005915264422686
Energy: 2.2223467685851714
Energy: 1.7504419755764895
Energy: 2.2223467685851714
Energy: 2.005915264423444
Energy: 2.2223467685851714
Energy: 2.0393276251068557
Energy: 2.30346191518605
Energy: 2.033713044713217
Energy: 2.30346191518605
Energy: 2.0393276251068557
Energy: 2.30346191518605
Energy: 1.7659371520390919
Energy: 2.3707459153415074
Energy: 1.9460772809489062
Energy: 2.3707459153422654
Energy: 1.7659371520390919
Energy: 2.3707459153422654
Energy: 1.7611284517658303
Energy: 1.9283997252163978
Energy: 1.7542425439729459
Energy: 1.9283997252163978
Energy: 1.7611284517658303
Energy: 1.9283997252156393
Energy: 1.9057819925547335
Energy: 2.0766991374124046
Energy: 1.7711568322897986
Energy: 2.0766991374124046
Energy: 1.9057819925539756
Energy: 2.0766991374124046
Energy: 1.773974319400685
Energy: 2.463609637103947
Energy: 2.115352522591478
Energy: 2.4636096371031884
Energy: 1.7739743194022015
Energy: 2.463609637103947

minimum gb energy = 1.7503486091677267 eV
minimum distance =  2.37543655614149 Angstroms
sigma value = 57


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

Energy: 1.8615558447847342
Energy: 2.0985207262555057
Energy: 2.23648610415096
Energy: 2.0985207262555057
Energy: 1.8615558447847342
Energy: 2.098520726254157
Energy: 1.9603656034943127
Energy: 2.0629414177752388
Energy: 1.734129810771421
Energy: 2.0629414177738896
Energy: 1.960365603499709
Energy: 2.3035434810008804
Energy: 1.7236398865074494
Energy: 1.9593536163681438
Energy: 1.7224915236750435
Energy: 1.9593536163681438
Energy: 1.7236398865074494
Energy: 1.959353616369493
Energy: 1.7226119910898632
Energy: 2.3122502992013914
Energy: 1.7226172902129309
Energy: 2.4073705684839117
Energy: 1.7226119910898632
Energy: 2.201878861141369
Energy: 1.7224864389307168
Energy: 1.9824021383468553
Energy: 1.7234555127709061
Energy: 1.9824021383495536
Energy: 1.7224864389307168
Energy: 1.9824021383468553
Energy: 1.7341699987620234
Energy: 2.0637865891164413
Energy: 1.9421685417327093
Energy: 2.0637865891164413
Energy: 1.7341699987620234
Energy: 2.0637865891164413
Energy: 2.23648610415096
Energy: 2.098520726254157
Energy: 1.8615558447860834
Energy: 2.098520726254157
Energy: 2.23648610415096
Energy: 2.098520726254157
Energy: 1.734129810771421
Energy: 2.2867495697235376
Energy: 1.9603656034848689
Energy: 2.286749574994925
Energy: 1.734129810771421
Energy: 2.286749565367806
Energy: 1.7224915236750435
Energy: 1.9593536163775571
Energy: 1.7236398865182423
Energy: 1.9593536163789063
Energy: 1.7224915236750435
Energy: 1.959353616376208
Energy: 1.7226172902129309
Energy: 2.3122502992013914
Energy: 1.7226119910885143
Energy: 2.201878861141369
Energy: 1.7226172902129309
Energy: 2.4073705685135924
Energy: 1.7234555127668587
Energy: 1.982402138358967
Energy: 1.7224864389307168
Energy: 1.9824021383549504
Energy: 1.7234555127668587
Energy: 1.9824021383576484
Energy: 1.9421685417313603
Energy: 2.0637865891164413
Energy: 1.7341699987620234
Energy: 2.0637865891164413
Energy: 1.9421685417327093
Energy: 2.0637865891164413
Energy: 1.8615558447847342
Energy: 2.0985207262528074
Energy: 2.2346609521128245
Energy: 2.0985207262528074
Energy: 1.8615558447847342
Energy: 2.0985207262528074
Energy: 1.9603656034902655
Energy: 2.3035434810008804
Energy: 1.7341298107727703
Energy: 2.303543480999531
Energy: 1.9603656034902655
Energy: 2.303543480999531
Energy: 1.7236398865330826
Energy: 1.9593536163627474
Energy: 1.7224915236750435
Energy: 1.9593536163640963
Energy: 1.7236398865344318
Energy: 1.9593536163627474
Energy: 1.7226119910885143
Energy: 2.201878861141369
Energy: 1.7226172902129309
Energy: 2.3122502992013914
Energy: 1.7226119910885143
Energy: 2.201878861141369
Energy: 1.722486438932066
Energy: 1.9824021383455062
Energy: 1.7234555127736044
Energy: 1.9824021383495536
Energy: 1.722486438932066
Energy: 1.9824021383482044

minimum gb energy = 1.7224864389307168 eV
minimum distance =  2.3861472995067 Angstroms
sigma value = 9


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

Energy: 2.0264545248249193
Energy: 2.399763373178343
Energy: 2.1729468290204332
Energy: 2.399763373178343
Energy: 2.0264545248249193
Energy: 2.399763373179445
Energy: 1.9954239153209754
Energy: 2.4778135157367815
Energy: 1.956596386786435
Energy: 2.4778135157367815
Energy: 1.9954239153209754
Energy: 2.4778135157367815
Energy: 1.934118835638037
Energy: 2.231909508078616
Energy: 1.9659382237590417
Energy: 2.2319095080797178
Energy: 1.934118835638037
Energy: 2.2319095080797178
Energy: 1.9830838828126585
Energy: 2.018874164721158
Energy: 1.929922122871291
Energy: 2.018874164721158
Energy: 1.983083882811557
Energy: 2.018874164721158
Energy: 1.8926427695513894
Energy: 2.1967368719728313
Energy: 2.013532112363769
Energy: 2.1967368719750344
Energy: 1.8926427695502883
Energy: 2.1967368719728313
Energy: 1.9869751018699942
Energy: 2.0969274434139007
Energy: 2.4601328527439956
Energy: 2.096927443415003
Energy: 1.9869751018699942
Energy: 2.096927443416104
Energy: 1.9585868050297615
Energy: 2.149428333060454
Energy: 1.9997185899562926
Energy: 2.1494283330615556
Energy: 1.9585868050308632
Energy: 2.1494283330615556
Energy: 1.9347006446639716
Energy: 2.4201614898739643
Energy: 1.9556822952695418
Energy: 2.420161489864051
Energy: 1.934700644665073
Energy: 2.4201614899245856
Energy: 1.9342644335757422
Energy: 2.475183604877063
Energy: 1.8367313830992933
Energy: 2.475183604877063
Energy: 1.9342644335757422
Energy: 2.4751836048781644
Energy: 1.981524692621878
Energy: 2.392219095794231
Energy: 1.9936121037789802
Energy: 2.392219095790926
Energy: 1.981524692621878
Energy: 2.3922190957931293
Energy: 1.8830164392083852
Energy: 2.0658619670838636
Energy: 1.871594252471415
Energy: 2.0658619685493798
Energy: 1.8830164392083852
Energy: 2.0658619658572843
Energy: 1.879388117189289
Energy: 2.019465757949194
Energy: 1.9095741847962109
Energy: 2.0194657579502953
Energy: 1.879388117189289
Energy: 2.019465757951397
Energy: 1.8830749668540974
Energy: 2.2392697965055994
Energy: 1.9067641715791952
Energy: 2.2392697965044976
Energy: 1.8830749668540974
Energy: 2.2392697965066506
Energy: 1.879408461633734
Energy: 2.0968118728966476
Energy: 1.834456466361193
Energy: 2.0968118728988507
Energy: 1.879408461633734
Energy: 2.0968118728988507
Energy: 1.9742574203391474
Energy: 2.402087155525127
Energy: 2.0008331543741824
Energy: 2.402087155524025
Energy: 1.974257420338046
Energy: 2.4020871555207206
Energy: 1.9324292523512288
Energy: 2.4765707567495405
Energy: 1.8715244592190825
Energy: 2.4765707567506423
Energy: 1.9324292523512288
Energy: 2.4765707567517437
Energy: 1.9326239766726012
Energy: 2.467796675334914
Energy: 1.8717802893282631
Energy: 2.467796675334914
Energy: 1.9326239766726012
Energy: 2.467796675334914
Energy: 1.976927802229742
Energy: 2.226213646423051
Energy: 1.9978615543031129
Energy: 2.226213646424152
Energy: 1.9769278022286403
Energy: 2.226213646424152
Energy: 1.9364890558295151
Energy: 2.0948176207555074
Energy: 1.8372412487116212
Energy: 2.0948176207566087
Energy: 1.9364890558284134
Energy: 2.0948176207566087
Energy: 1.8794211137489554
Energy: 2.104625670727072
Energy: 1.9538835763807971
Energy: 2.1046256707281734
Energy: 1.8794211137489554
Energy: 2.104625670727072
Energy: 1.9357180667953329
Energy: 2.01906918063297
Energy: 1.8714137282450147
Energy: 2.0190691806319188
Energy: 1.9357180667942313
Energy: 2.01906918063297

minimum gb energy = 1.834456466361193 eV
minimum distance =  2.43098281061902 Angstroms
sigma value = 27


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

Energy: 2.1629750902904052
Energy: 2.400286461788433
Energy: 2.126983570660991
Energy: 2.400286461788433
Energy: 2.1629750902904052
Energy: 2.400286461788433
Energy: 2.2929675800943645
Energy: 2.495867539892176
Energy: 1.914138747884534
Energy: 2.495867539892176
Energy: 2.292967580168605
Energy: 2.495867539892176
Energy: 1.9539925947707628
Energy: 2.414636346826855
Energy: 1.9140333432828418
Energy: 2.414636346837068
Energy: 1.9539925947707628
Energy: 2.4146363468073555
Energy: 2.0013424932509176
Energy: 2.0473140936929206
Energy: 1.9412742202992284
Energy: 2.047314093691992
Energy: 2.0013424932509176
Energy: 2.0473140936929206
Energy: 1.8355554897785502
Energy: 2.2191877033755123
Energy: 1.9765059254280546
Energy: 2.2191877033755123
Energy: 1.8355554897766932
Energy: 2.2191877033755123
Energy: 1.9895680823881907
Energy: 2.080069285628859
Energy: 1.8936104066422907
Energy: 2.080069285625145
Energy: 1.9895680823881907
Energy: 2.080069285646501
Energy: 1.9629766622821168
Energy: 2.0626481308153686
Energy: 1.9626709059899068
Energy: 2.0626481308153686
Energy: 1.9629766622821168
Energy: 2.0626481308153686
Energy: 1.9198175862258529
Energy: 2.0986251610064
Energy: 1.977357938200169
Energy: 2.0986251610333273
Energy: 1.9198175862258529
Energy: 2.0986251610426128
Energy: 2.067447763061309
Energy: 2.197720456466698
Energy: 2.3357378208778394
Energy: 2.1977204557418544
Energy: 2.067447763061309
Energy: 2.197720457874644
Energy: 1.918474354459912
Energy: 2.414564922407632
Energy: 2.1583953363760977
Energy: 2.414564922407632
Energy: 1.9184743544608407
Energy: 2.414564922406704
Energy: 2.2056631646817233
Energy: 2.41798630649302
Energy: 2.158314196840601
Energy: 2.4179863064911626
Energy: 2.2056631646817233
Energy: 2.417986306493948
Energy: 2.0674376873850675
Energy: 2.078490371396919
Energy: 2.3356609978989016
Energy: 2.078490371396919
Energy: 2.0674376873850675
Energy: 2.078490371397848
Energy: 2.2062472414048133
Energy: 2.122494794316407
Energy: 1.982077182180908
Energy: 2.1224947917204497
Energy: 2.2062472414038847
Energy: 2.122494793732615
Energy: 1.9629618010207475
Energy: 2.063462512704349
Energy: 1.9749079901328888
Energy: 2.063462512707135
Energy: 1.9629618010207475
Energy: 2.0634625127052777
Energy: 1.9895620526184579
Energy: 2.1262968101182103
Energy: 1.893712395026899
Energy: 2.1262968101182103
Energy: 1.9895620526184579
Energy: 2.1262968101182103
Energy: 1.875595150364199
Energy: 2.2191877033755123
Energy: 1.9782952976792785
Energy: 2.219187703376441
Energy: 1.8755951503632708
Energy: 2.2191877033755123
Energy: 2.0013575192827697
Energy: 2.0472988652832464
Energy: 1.943227151245356
Energy: 2.0472988652832464
Energy: 2.0013575192827697
Energy: 2.0472988652832464
Energy: 1.9415001839570785
Energy: 2.2799398099110397
Energy: 1.9141639565088973
Energy: 2.2799398094785133
Energy: 1.9415001839570785
Energy: 2.279939809417273
Energy: 2.36482509892742
Energy: 2.4848830393662618
Energy: 1.9142335497981782
Energy: 2.4848830393746186
Energy: 2.36482509892742
Energy: 2.484883039375547
Energy: 2.1629750902904052
Energy: 2.400286461788433
Energy: 1.9891941340794335
Energy: 2.400286461788433
Energy: 2.1629750902904052
Energy: 2.400286461788433
Energy: 2.292967580201103
Energy: 2.495867539892176
Energy: 1.9141387478854623
Energy: 2.4958675398903196
Energy: 2.292967580223388
Energy: 2.4958675398912478
Energy: 1.9539925947716907
Energy: 2.4146363467850707
Energy: 1.9140333432828418
Energy: 2.4146363468305685
Energy: 1.9539925947707628
Energy: 2.414636346808284
Energy: 2.0013424932509176
Energy: 2.0473140936929206
Energy: 1.9412742202992284
Energy: 2.0473140936929206
Energy: 2.0013424932509176
Energy: 2.0473140936929206
Energy: 1.835555489777622
Energy: 2.2191877033755123
Energy: 1.976505925428983
Energy: 2.2191877033755123
Energy: 1.835555489777622
Energy: 2.2191877033755123
Energy: 1.9895680823881907
Energy: 2.0800692856344303
Energy: 1.8936104066422907
Energy: 2.0800692856205023
Energy: 1.9895680823881907
Energy: 2.0800692856474297

minimum gb energy = 1.8355554897766932 eV
minimum distance =  2.41257056445195 Angstroms
sigma value = 19


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

Energy: 2.1982643049404507
Energy: 2.1445375354558505
Energy: 2.076237077667868
Energy: 2.1445377549158953
Energy: 2.1982643049404507
Energy: 2.1445374062469
Energy: 2.3156458167219824
Energy: 2.3273104871465904
Energy: 1.7936530841960283
Energy: 2.3273104871489947
Energy: 2.3156458167219824
Energy: 2.3273104871473915
Energy: 1.8018702542785334
Energy: 2.2428411236729517
Energy: 1.798848330030123
Energy: 2.242841123673753
Energy: 1.801870254279335
Energy: 2.2428411236713486
Energy: 1.9186430118246465
Energy: 2.059096762896341
Energy: 1.805341314853358
Energy: 2.059096762897944
Energy: 1.9186430118238451
Energy: 2.059096762891532
Energy: 2.1059098013998034
Energy: 2.1403947293787473
Energy: 1.8091005546901275
Energy: 2.1403947293779457
Energy: 2.1059098013982
Energy: 2.1403947293779457
Energy: 1.8041614425437518
Energy: 2.1546829698723844
Energy: 1.8089337426771714
Energy: 2.154682969878796
Energy: 1.8041614425437518
Energy: 2.1546829698699796
Energy: 2.0254135107028115
Energy: 2.1018482119054247
Energy: 1.8106235586980364
Energy: 2.1018482119062263
Energy: 2.0254135107044147
Energy: 2.1018482119062263
Energy: 2.056322952083502
Energy: 2.038980244380498
Energy: 1.8095906055138187
Energy: 2.038980244381299
Energy: 2.0563229520843036
Energy: 2.038980244379697
Energy: 1.918048055560922
Energy: 2.1597789945592925
Energy: 2.0285523195348043
Energy: 2.1597789945584904
Energy: 1.9180480555617236
Energy: 2.1597789945592925
Energy: 1.830497956678812
Energy: 2.1757744481536703
Energy: 1.8224562912297568
Energy: 2.175774454103771
Energy: 1.830497956678812
Energy: 2.175774417604545
Energy: 2.05185210462811
Energy: 2.107721791132776
Energy: 1.8484382254973728
Energy: 2.107721791132776
Energy: 2.051852104627309
Energy: 2.107721791132776
Energy: 2.1941294547330346
Energy: 2.3993773517652497
Energy: 1.8558312042392242
Energy: 2.399377351766051
Energy: 2.1941294547330346
Energy: 2.3993773517652497
Energy: 2.1950994365265903
Energy: 2.3893841183593123
Energy: 1.7987366096751871
Energy: 2.3893841034893057
Energy: 2.1950994365265903
Energy: 2.3893841284969475
Energy: 1.8280980064710992
Energy: 2.132012712598271
Energy: 2.048840742263609
Energy: 2.1320127125974695
Energy: 1.828098006488696
Energy: 2.1320127125958663
Energy: 1.8305003313188344
Energy: 2.0524499692874247
Energy: 1.8220168791921372
Energy: 2.0524499692874247
Energy: 1.8305003313180328
Energy: 2.0524499692874247
Energy: 1.8304052518272083
Energy: 2.032548835967847
Energy: 1.8370190684134307
Energy: 2.032548835967046
Energy: 1.8304052518272083
Energy: 2.0325488359758626
Energy: 1.83489990902964
Energy: 2.0313094037575485
Energy: 1.7997720929875236
Energy: 2.0313094037575485
Energy: 1.8348999095744398
Energy: 2.0313094037575485
Energy: 1.8306536138066298
Energy: 2.1645642154912927
Energy: 1.8016113325419778
Energy: 2.1645642154912927
Energy: 1.8306536138058283
Energy: 2.1645642154912927
Energy: 1.838391488448337
Energy: 2.0576408228094696
Energy: 1.795725640885563
Energy: 2.0576408228086684
Energy: 1.8383914884491384
Energy: 2.0576408228110727
Energy: 1.8305307055707125
Energy: 2.0530948954525843
Energy: 1.9095224095128158
Energy: 2.0530948954581585
Energy: 1.8305307055707125
Energy: 2.05309489545896
Energy: 1.8304608218783558
Energy: 2.0525349794981693
Energy: 1.7990996558206196
Energy: 2.0525349794973673
Energy: 1.8304608218783558
Energy: 2.0525349794989705
Energy: 1.8558222877041795
Energy: 2.1095690411903223
Energy: 2.0487962865358
Energy: 2.1095690411903223
Energy: 1.8558222877041795
Energy: 2.1095690411903223
Energy: 2.1951380726718934
Energy: 2.394628673472336
Energy: 1.7945080384348815
Energy: 2.394628673456306
Energy: 2.1951380726710923
Energy: 2.3946286733802005
Energy: 2.1939481840000066
Energy: 2.401892648417702
Energy: 1.8612887644374676
Energy: 2.401892648417702
Energy: 2.1939481840008077
Energy: 2.401892648418503
Energy: 2.051970743725942
Energy: 2.208677459901564
Energy: 1.84964449609854
Energy: 2.2086774599031673
Energy: 2.05197074372514
Energy: 2.2086774599031673
Energy: 1.8305801929187002
Energy: 2.163886323312704
Energy: 1.8065444553815104
Energy: 2.1638862940389805
Energy: 1.8305801929187002
Energy: 2.1638864103599555
Energy: 1.8308527845489857
Energy: 2.159744309159841
Energy: 2.0285523195356054
Energy: 2.159744309159841
Energy: 1.8308527845481841
Energy: 2.1597443091606423
Energy: 2.053676168676011
Energy: 2.0319918146603113
Energy: 1.8093796379849492
Energy: 2.0319918146603113
Energy: 2.053676168676011
Energy: 2.0319918146595097
Energy: 1.8303707344368525
Energy: 2.1018482119054247
Energy: 1.8106084611281466
Energy: 2.1018482119054247
Energy: 1.8303707344368525
Energy: 2.1018482119062263

minimum gb energy = 1.7936530841960283 eV
minimum distance =  2.39785011361308 Angstroms
sigma value = 101


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

Energy: 2.2122032561634835
Energy: 2.2903438155724793
Energy: 2.497862402705283
Energy: 2.2903438155724793
Energy: 2.2122032561634835
Energy: 2.2903438155724793
Energy: 2.1002577827308366
Energy: 2.251949445724111
Energy: 1.9496110670821611
Energy: 2.2519494457248155
Energy: 2.100257782731541
Energy: 2.251949445728338
Energy: 1.73517249392696
Energy: 2.1791807902850335
Energy: 1.949075099736312
Energy: 2.1791807902850335
Energy: 1.73517249392696
Energy: 2.1791807902850335
Energy: 1.8855252402368121
Energy: 2.11510796362076
Energy: 1.9788252802159412
Energy: 2.115107963622169
Energy: 1.8855252402368121
Energy: 2.1263782761579755
Energy: 1.902619755003592
Energy: 2.2011715310658113
Energy: 1.7458228680785186
Energy: 2.2011715310658113
Energy: 1.902619755003592
Energy: 2.2011715310651065
Energy: 1.7801320711139261
Energy: 2.067420987154043
Energy: 1.739331121386833
Energy: 2.0674209871554523
Energy: 1.7801320711139261
Energy: 2.067420987154748
Energy: 1.7480093682515183
Energy: 2.130863260086234
Energy: 1.9941882516331744
Energy: 2.130863260086234
Energy: 1.7480093682515183
Energy: 2.1308632600855293
Energy: 1.751570855454059
Energy: 2.04843605371618
Energy: 1.7418928635633075
Energy: 2.088584496753201
Energy: 1.7515708554547635
Energy: 2.04843605371618
Energy: 1.7442485401676946
Energy: 2.0068427496459136
Energy: 1.7353956678951434
Energy: 2.0068427496459136
Energy: 1.74424854016699
Energy: 2.0068427496466184
Energy: 1.7627470014260755
Energy: 2.0691957013657163
Energy: 1.9035484658126467
Energy: 2.069195701365011
Energy: 1.7627470014260755
Energy: 2.069195701365011
Energy: 1.7991631718810688
Energy: 2.1655514705086802
Energy: 1.834531342445727
Energy: 2.1655514705093846
Energy: 1.7991631718817733
Energy: 2.1655514705086802
Energy: 1.949517764666496
Energy: 2.1856108518469153
Energy: 1.7279458640218828
Energy: 2.185610851848324
Energy: 1.949517764665087
Energy: 2.185610851848324
Energy: 1.9491243538618073
Energy: 2.1893361572474497
Energy: 1.9784013204941369
Energy: 2.189336157253087
Energy: 1.9491243538618073
Energy: 2.189336157243223
Energy: 1.9727181182398916
Energy: 2.373341576658724
Energy: 2.098570605730379
Energy: 2.351113851873384
Energy: 1.9727181182405964
Energy: 2.3733415766594286
Energy: 2.0541991521297054
Energy: 2.3914235646531643
Energy: 2.2884160781291363
Energy: 2.3914235646531643
Energy: 2.0541991521297054
Energy: 2.391423564652459
Energy: 1.890405503434044
Energy: 2.185457897794467
Energy: 1.7422256233024949
Energy: 2.185457897795172
Energy: 1.8904055034333394
Energy: 2.185457897794467
Energy: 1.8931054797653384
Energy: 2.0633147842415744
Energy: 1.7623059548690274
Energy: 2.0633147842401653
Energy: 1.893105479766043
Energy: 2.0633147842415744
Energy: 1.7416182378783323
Energy: 2.239555339783779
Energy: 1.7626487027521236
Energy: 2.239555339773211
Energy: 1.741618237875514
Energy: 2.2395553397865977
Energy: 1.7597575681926978
Energy: 1.9968507093585706
Energy: 1.7356360995840574
Energy: 1.9968507093585706
Energy: 1.7597575681941071
Energy: 1.9968507093585706
Energy: 1.900053803026216
Energy: 2.1384183704921544
Energy: 1.763014728677369
Energy: 2.1384183704928588
Energy: 1.9000538030255119
Energy: 2.1384183704928588
Energy: 1.7614019950937025
Energy: 2.1204084541626584
Energy: 1.7473031592535884
Energy: 2.1204084541626584
Energy: 1.7614019950944069
Energy: 2.1204084541633628
Energy: 1.7418400688687816
Energy: 2.010885388610364
Energy: 1.7647610236075253
Energy: 2.0108853885589633
Energy: 1.7418400689441371
Energy: 2.0108853886716287
Energy: 1.790384124633135
Energy: 1.9942298172863435
Energy: 1.748969872476922
Energy: 1.9942298172863435
Energy: 1.790384124633135
Energy: 1.9942298172863435
Energy: 1.7532988160452545
Energy: 2.1399116830760243
Energy: 1.7990251777309108
Energy: 2.139911683076728
Energy: 1.7532988160473684
Energy: 2.1399116830760243
Energy: 1.7368665152608775
Energy: 2.2759230124503222
Energy: 2.0560366956716316
Energy: 2.275923012451027
Energy: 1.7368665152608775
Energy: 2.2759230124517313
Energy: 1.9774650797403959
Energy: 2.1315844514830196
Energy: 1.948864084434328
Energy: 2.131584451482315
Energy: 1.9774650797403959
Energy: 2.1315844514816105
Energy: 2.0979724293467013
Energy: 2.3799703936988794
Energy: 2.053059732279894
Energy: 2.379970393699584
Energy: 2.0979724293467013
Energy: 2.3799703936967656
Energy: 2.0995678394722987
Energy: 2.2437339826747387
Energy: 2.054797568251115
Energy: 2.2437339811817205
Energy: 2.099567839473003
Energy: 2.243733980038739
Energy: 2.143626226477239
Energy: 2.129803995544269
Energy: 2.0071484930454306
Energy: 2.129803995544269
Energy: 2.1436262264765342
Energy: 2.129803995544269
Energy: 1.755192538021654
Energy: 2.0367551174976954
Energy: 2.0541249755177944
Energy: 2.0367551174991045
Energy: 1.755192538021654
Energy: 2.0367551174976954
Energy: 1.7624064653205092
Energy: 2.1181264083534157
Energy: 1.7429342676871518
Energy: 2.1181264083534157
Energy: 1.762406465321214
Energy: 2.1181264083541205
Energy: 1.977042909951954
Energy: 1.993019701692627
Energy: 1.9320667643764033
Energy: 1.993019701692627
Energy: 1.977042909951954
Energy: 1.9930197016919224
Energy: 1.7632669995202566
Energy: 2.160584337243352
Energy: 1.7474995831719193
Energy: 2.1605843372440563
Energy: 1.7632669995202566
Energy: 2.1605843372440563

minimum gb energy = 1.7279458640218828 eV
minimum distance =  2.36657436361885 Angstroms
sigma value = 33


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

Energy: 0.01965543816779105
Energy: 0.0199877411473072
Energy: 2.166050271890316
Energy: 0.019987740984828223
Energy: 0.01965543816779105
Energy: 0.01998774130750966
Energy: 0.02068670437881284
Energy: 1.223833483710332
Energy: 0.020686704505257652
Energy: 1.2238334837109173
Energy: 0.02068670434964077
Energy: 1.2238334837109173
Energy: 2.1660502718908683
Energy: 0.019987740983104567
Energy: 0.01965543816779105
Energy: 0.019987740771420084
Energy: 2.166050271890316
Energy: 0.019987741034033727
Energy: 0.02068670437536553
Energy: 1.2238334837109173
Energy: 0.020686704502395733
Energy: 1.2238334837109173
Energy: 0.020686704388536863
Energy: 1.2238334837109173

minimum gb energy = 0.01965543816779105 eV
minimum distance =  2.69420960379465 Angstroms
sigma value = 1