Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762046966
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01651038259452593
Energy: 1.275836476218028
Energy: 0.01651038259452593
Energy: 1.2758364762177126
Energy: 0.01651038259452593
Energy: 1.275836476218028
Energy: 1.275836476218028
Energy: 0.01678874855507809
Energy: 1.275836476218028
Energy: 0.01678874855444716
Energy: 1.275836476218028
Energy: 0.016788748554166746
Energy: 0.01651038259452593
Energy: 1.275836476218028
Energy: 0.01651038259452593
Energy: 1.2758364762177126
Energy: 0.01651038259452593
Energy: 1.275836476218028
Energy: 1.275836476218028
Energy: 0.01678874855444716
Energy: 1.2758364762177126
Energy: 0.016788748554166746
Energy: 1.275836476218028
Energy: 0.016788748554762624
Energy: 0.01651038259452593
Energy: 1.275836476218028
Energy: 0.01651038259452593
Energy: 1.2758364762177126
Energy: 0.01651038259452593
Energy: 1.2758364762183436
Energy: 1.2758364762183436
Energy: 0.016788748554166746
Energy: 1.275836476218028
Energy: 0.01678874855507809
Energy: 1.2758364762183436
Energy: 0.016788748554166746

minimum gb energy = 0.01651038259452593 eV
minimum distance =  2.54640734193559 Angstroms
sigma value = 1


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

Energy: 1.17776580574591
Energy: 1.0315394278287378
Energy: 1.177765805743632
Energy: 1.0315394278279784
Energy: 1.1777658057451508
Energy: 1.0315394278257002
Energy: 1.360329941471096
Energy: 0.9310803193335598
Energy: 1.3603299414718555
Energy: 0.9310803193343192
Energy: 1.3603299414726147
Energy: 0.9310803193343192
Energy: 1.0716157968438085
Energy: 1.087169050563825
Energy: 1.0716157968445679
Energy: 1.0871690505676217
Energy: 1.0716157968445679
Energy: 1.0871690505509157
Energy: 1.204271652491596
Energy: 1.0092370350962436
Energy: 1.2042716524923553
Energy: 1.0092370350962436
Energy: 1.2042716524931147
Energy: 1.0092370350962436
Energy: 1.0845319142147376
Energy: 1.149444463857908
Energy: 1.084531914215497
Energy: 1.149444463857908
Energy: 1.084531914215497
Energy: 1.1494444638563892
Energy: 1.1188520221588873
Energy: 0.9984065931423904
Energy: 1.1188520221573688
Energy: 0.99840659314315
Energy: 1.1188520221573688
Energy: 0.9984065931416312
Energy: 1.0728505642798436
Energy: 1.1446990943848685
Energy: 1.072850562890829
Energy: 1.144699094375756
Energy: 1.0728505589196329
Energy: 1.1446990943514566
Energy: 1.0090428498148298
Energy: 1.2427124042720863
Energy: 1.0090428498148298
Energy: 1.2427124042705673
Energy: 1.009042849815589
Energy: 1.2427124042720863
Energy: 1.1452241465122053
Energy: 1.1468867324739724
Energy: 1.1452241465114459
Energy: 1.146886732474732
Energy: 1.145224146513724
Energy: 1.1468867324739724
Energy: 0.9295045192109512
Energy: 1.2268318416222355
Energy: 0.9295045192109512
Energy: 0.6256689066655493
Energy: 0.9295045192109512
Energy: 0.6251874658148365
Energy: 0.6305898885584883
Energy: 0.9955434931137552
Energy: 0.630594657107404
Energy: 0.995543493112996
Energy: 0.6308332124819537
Energy: 0.9955434931145146
Energy: 0.8811537007264265
Energy: 0.679921163074256
Energy: 0.881153700727186
Energy: 0.6790636538559551
Energy: 0.8811537007264265
Energy: 0.678999384969035
Energy: 1.2303317569344834
Energy: 0.8682854773389443
Energy: 1.2303317569329646
Energy: 0.8682854773397036
Energy: 1.2303317569344834
Energy: 0.8682854773389443
Energy: 1.0082980598696882
Energy: 1.093229469884092
Energy: 1.0082980598689288
Energy: 1.0932294661306952
Energy: 1.0082980598674103
Energy: 1.093229455537709
Energy: 1.3047387249142026
Energy: 0.9324295970484493
Energy: 1.304738724912684
Energy: 0.9324295970499682
Energy: 1.3047387249134432
Energy: 0.9324295970499682
Energy: 1.3282879087114594
Energy: 1.1388035824129643
Energy: 1.3282879087114594
Energy: 1.1388035824137235
Energy: 1.3282879087107002
Energy: 1.1388035824137235
Energy: 1.1310606361299143
Energy: 1.0887151434646283
Energy: 1.1310606361299143
Energy: 1.0887151434653874
Energy: 1.1310606361299143
Energy: 1.0887151434646283
Energy: 1.1309025245545465
Energy: 1.0275701722933663
Energy: 1.1309025245477122
Energy: 1.0275701722918476
Energy: 1.1309025245340436
Energy: 1.0275701722918476
Energy: 1.00998399659987
Energy: 1.0090311805634165
Energy: 1.00998399659987
Energy: 1.0090311805520262
Energy: 1.00998399659987
Energy: 1.009031180495074
Energy: 1.1092482097534873
Energy: 0.9895214014943393
Energy: 1.1092482097534873
Energy: 0.9895214014943393
Energy: 1.1092482097534873
Energy: 0.989521401495858
Energy: 0.9484530657313269
Energy: 1.223916292017204
Energy: 0.9484530657313269
Energy: 1.2239162919026092
Energy: 0.9484530657320862
Energy: 1.2239162915853332
Energy: 1.150429175065725
Energy: 1.1472907292821846
Energy: 1.1504291750664843
Energy: 1.147290729281425
Energy: 1.1504291750664843
Energy: 1.1472907292821846
Energy: 0.9143873136224103
Energy: 1.2932181813407324
Energy: 0.8615541161275213
Energy: 1.2932181813392138
Energy: 0.8615541161282806
Energy: 1.2932181813263046

minimum gb energy = 0.6251874658148365 eV
minimum distance =  2.3257292621157 Angstroms
sigma value = 33


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

Energy: 1.2080866266812602
Energy: 1.220771148614602
Energy: 1.2080866266821242
Energy: 1.2207711486154658
Energy: 1.2080866266808286
Energy: 1.2207711486128743
Energy: 1.2459944361056725
Energy: 1.0441590056282495
Energy: 1.2459944287597549
Energy: 1.0441590056269536
Energy: 1.2459944105316054
Energy: 1.0441590056278174
Energy: 0.8855200584752742
Energy: 1.0434637877287678
Energy: 0.8855200584748423
Energy: 1.0434637877123545
Energy: 0.8855200584744103
Energy: 1.0434637876993968
Energy: 1.106008237990684
Energy: 1.1070984866306877
Energy: 1.1060082379937075
Energy: 1.107094822291982
Energy: 1.1060082379937075
Energy: 1.1070824022879484
Energy: 1.0464590307805464
Energy: 1.0966692074031792
Energy: 1.0464590307792507
Energy: 1.096669207382918
Energy: 1.046459030778387
Energy: 1.0966692073742796
Energy: 1.0433558287870908
Energy: 0.8854323772780601
Energy: 1.043355828436958
Energy: 0.8854323772784922
Energy: 1.0433558275678887
Energy: 0.8854323772776282
Energy: 1.2203422364145198
Energy: 1.1946022650568118
Energy: 1.2203421701398391
Energy: 1.1946022650572437
Energy: 1.2203419997193945
Energy: 1.1946022650559478
Energy: 0.8758388365910486
Energy: 1.1934564856338095
Energy: 0.8758388365914803
Energy: 1.193456485635537
Energy: 0.8758388365910486
Energy: 1.1934564856359688
Energy: 1.0739269631318256
Energy: 0.8895475451261873
Energy: 1.0739269631318256
Energy: 0.8895475451266192
Energy: 1.0739269631318256
Energy: 0.8895475451266192
Energy: 0.8475403816984654
Energy: 1.1208953189341426
Energy: 0.8475403816980334
Energy: 1.1208941022798489
Energy: 0.8475403816988971
Energy: 1.120890646654464
Energy: 1.1219279712112704
Energy: 0.8506404912901674
Energy: 1.1219211484270524
Energy: 0.8506404912905994
Energy: 0.760302497683202
Energy: 0.8506404912901674
Energy: 0.8869525948875102
Energy: 0.9410457289201231
Energy: 0.8869525948875102
Energy: 0.9410457289201231
Energy: 0.8869525948875102
Energy: 0.9410457289196911
Energy: 1.2502889893627251
Energy: 0.8741654403999589
Energy: 1.250288989330331
Energy: 0.8741654404003907
Energy: 1.2502889892750841
Energy: 0.8741654403999589
Energy: 1.195216715056263
Energy: 1.2208995723363372
Energy: 1.195216715056263
Energy: 1.2208995632233421
Energy: 1.195216715055831
Energy: 1.2208995368821005
Energy: 1.0640404374839987
Energy: 1.0438118193670964
Energy: 1.0640404374857264
Energy: 1.0438118193666643
Energy: 1.064040437472337
Energy: 1.043811819368824
Energy: 0.8853767977676619
Energy: 1.0434785360322099
Energy: 0.8853767977672301
Energy: 1.0434785360296182
Energy: 0.8853767977676619
Energy: 1.0434785360335053
Energy: 1.1064906113636492
Energy: 1.1065245150724479
Energy: 1.1064906088513864
Energy: 1.1065245150694243
Energy: 1.1064906037314843
Energy: 1.106524515071152
Energy: 1.043339190246376
Energy: 0.8853389606217853
Energy: 1.0433391902485356
Energy: 0.885338960623081
Energy: 1.0433391902446483
Energy: 0.8853389606226492
Energy: 1.0449500382365315
Energy: 1.0636596223379964
Energy: 1.0449500382356676
Energy: 1.0636596222926442
Energy: 1.0449500382360997
Energy: 1.0636596221816792
Energy: 1.2227941932310566
Energy: 1.1955140712208956
Energy: 1.2227941932310566
Energy: 1.1955140712204637
Energy: 1.2227941932310566
Energy: 1.1955140712221914
Energy: 0.8733937452820404
Energy: 1.2616571822523575
Energy: 0.8733937452824725
Energy: 1.2616571462342647
Energy: 0.8733937452820404
Energy: 1.2616570602113
Energy: 1.043166867589791
Energy: 0.8899006337050092
Energy: 1.0431668669957002
Energy: 0.8899006337050092
Energy: 1.043166865049885
Energy: 0.8899006337045772
Energy: 0.8477614927198552
Energy: 0.7608994711400119
Energy: 0.8477614927198552
Energy: 0.7607036469578122
Energy: 0.8477614927198552
Energy: 0.7603672803781445
Energy: 1.1243827437513647
Energy: 1.0439992751282734
Energy: 1.1243827437565477
Energy: 1.0439992751295692
Energy: 1.1243827437535243
Energy: 1.0439992751282734
Energy: 0.8858460325507299
Energy: 1.0958202313392762
Energy: 0.8858460325502979
Energy: 1.0958202313401402
Energy: 0.8858460325502979
Energy: 1.0958202313375487
Energy: 1.1934674851185685
Energy: 1.2225961605266384
Energy: 1.1934674851185685
Energy: 1.222596160527934
Energy: 1.1934674851185685
Energy: 1.2225961605262063
Energy: 1.1932992541834797
Energy: 1.2237431212097356
Energy: 1.1932992541869352
Energy: 1.2237431212084398
Energy: 1.1932992541808882
Energy: 1.2237431212084398
Energy: 0.8855164684842116
Energy: 1.0956502489453184
Energy: 0.8855164684837797
Energy: 1.0956502489435906
Energy: 0.8855164684837797
Energy: 1.0956502489448863
Energy: 1.1244487771331417
Energy: 1.0441858165297486
Energy: 1.1244487771296865
Energy: 1.0441858165306126
Energy: 1.1244487771305502
Energy: 1.0441858165301805
Energy: 0.8477790274503931
Energy: 0.7607537841558394
Energy: 0.8477790274508252
Energy: 0.7607181207990609
Energy: 0.8477790274508252
Energy: 0.7608539249633244
Energy: 1.0435228680271293
Energy: 0.8899819526198183
Energy: 1.043522867990023
Energy: 0.8899819526193863
Energy: 1.0435228678514152
Energy: 0.8899819526193863
Energy: 0.873281399915801
Energy: 1.261470296433942
Energy: 0.873281399914937
Energy: 1.2614702656065868
Energy: 0.873281399915369
Energy: 1.2614701828276418
Energy: 1.2228605468852163
Energy: 1.1955421701924358
Energy: 1.222860546886944
Energy: 1.1955421701924358
Energy: 1.2228605468847846
Energy: 1.19554217019114
Energy: 1.0452773277417449
Energy: 1.0636838052483835
Energy: 1.0452773277421767
Energy: 1.063683805211238
Energy: 1.0452773277417449
Energy: 1.0636838051607422
Energy: 1.0435580882195392
Energy: 0.8854778406684991
Energy: 1.043558088216948
Energy: 0.8854778406689312
Energy: 1.0435580882147881
Energy: 0.8854778406689312
Energy: 1.1065018257618324
Energy: 1.1065482080404159
Energy: 1.1065018250982805
Energy: 1.1065482080430074
Energy: 1.1065018212809021
Energy: 1.106548208038688
Energy: 0.8853620485649161
Energy: 1.0433948707176528
Energy: 0.8853620485644841
Energy: 1.0433948707176528
Energy: 0.8853620485649161
Energy: 1.0433948707141973
Energy: 1.0639833949654318
Energy: 1.0438385461193538
Energy: 1.0639833949675912
Energy: 1.0438385461197859
Energy: 1.0639833949624085
Energy: 1.0438385461180582
Energy: 1.1952100191562205
Energy: 1.2212584601267031
Energy: 1.1952100191557884
Energy: 1.221258456081387
Energy: 1.1952100191557884
Energy: 1.2212584455026798
Energy: 1.2500759578018306
Energy: 0.8741661562848488
Energy: 1.2500759577470155
Energy: 0.8741661562848488
Energy: 1.2500759576252523
Energy: 0.8741661562852807
Energy: 0.8869539291347179
Energy: 0.9410587103095733
Energy: 0.8869539291347179
Energy: 0.9410587103095733
Energy: 0.8869539291351498
Energy: 0.9410587103091416

minimum gb energy = 0.760302497683202 eV
minimum distance =  2.35261421659341 Angstroms
sigma value = 51


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

Energy: 1.1310261479468635
Energy: 1.1267534820849654
Energy: 1.1310261479468635
Energy: 1.1267534820849654
Energy: 1.1310261479468635
Energy: 1.1267534820859664
Energy: 1.1821417740670412
Energy: 1.0134298574339904
Energy: 1.1821212301966355
Energy: 1.0134298574339904
Energy: 0.6079509774813627
Energy: 1.0134298574329899
Energy: 0.9967398010508779
Energy: 1.0698170909185947
Energy: 0.9967398010508779
Energy: 1.0698170898022468
Energy: 0.996739801049877
Energy: 1.0698170867032564
Energy: 1.0865649000294535
Energy: 0.9003034367850229
Energy: 1.0865649000294535
Energy: 0.900303436784022
Energy: 1.0865649000304545
Energy: 0.900303436784022
Energy: 1.1205635848280715
Energy: 1.0912136316688243
Energy: 1.1205635848300732
Energy: 1.0912136316688243
Energy: 1.1205635848300732
Energy: 1.0912136316678236
Energy: 1.1545498198890072
Energy: 1.0914306315768427
Energy: 1.1545498198880064
Energy: 1.091430631575842
Energy: 1.1545498198890072
Energy: 1.0914306315768427
Energy: 1.0429771088497517
Energy: 1.0915297329233857
Energy: 1.0429758922125723
Energy: 1.0915297329233857
Energy: 1.0429724358390937
Energy: 1.091529732922385
Energy: 0.9990914868099662
Energy: 1.0915759057870391
Energy: 0.9990914868099662
Energy: 1.0915759057840368
Energy: 0.999091486810967
Energy: 1.091575905778032
Energy: 1.2625260569759513
Energy: 0.8969018384070946
Energy: 1.262526056935921
Energy: 0.8969018384070946
Energy: 1.2625260568338887
Energy: 0.8969018384070946
Energy: 0.9332951076121186
Energy: 1.2875152506721679
Energy: 0.9332951076121186
Energy: 1.2875152506741694
Energy: 0.9332951076121186
Energy: 1.2875152506711671
Energy: 1.2651549451018462
Energy: 0.9035451880892618
Energy: 1.2651549450558568
Energy: 0.9035451880892618
Energy: 1.2651549449177975
Energy: 0.9035451880892618
Energy: 1.128560191111212
Energy: 1.127123184577954
Energy: 1.1285601911092105
Energy: 1.1271231845789547
Energy: 1.1285601911102114
Energy: 1.1271231845789547
Energy: 1.332603293804222
Energy: 1.013754070517126
Energy: 1.3326032938052226
Energy: 1.0137540705161248
Energy: 1.3326032938052226
Energy: 1.0137540705161248
Energy: 1.0697543291152274
Energy: 1.0265858801351442
Energy: 1.0697543291162284
Energy: 1.0265858801351442
Energy: 1.0697543291152274
Energy: 1.0265858801341436
Energy: 1.094227311778868
Energy: 1.1293823267379286
Energy: 1.0942273117768662
Energy: 1.1293823267379286
Energy: 1.094227311777867
Energy: 1.1293823267389294
Energy: 1.1487336893555011
Energy: 1.091535079917878
Energy: 1.1487336893565019
Energy: 1.091535079917878
Energy: 1.1487336893555011
Energy: 1.091535079917878
Energy: 1.120920391202662
Energy: 1.21080506422094
Energy: 1.120920391202662
Energy: 1.2108050642219408
Energy: 1.1209203912016612
Energy: 1.2108050642219408
Energy: 1.0443806617907367
Energy: 1.093631321337497
Energy: 1.0443806617907367
Energy: 1.0936313213364963
Energy: 1.0443806617917375
Energy: 1.093631321337497

minimum gb energy = 0.6079509774813627 eV
minimum distance =  2.27134361708308 Angstroms
sigma value = 19


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

Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.9670990162334592
Energy: 1.1423347654503777
Energy: 0.9670990162322719
Energy: 1.142334765449784
Energy: 0.9670990162316782
Energy: 1.1423347654503777
Energy: 0.819020356457179
Energy: 1.1386996181639062
Energy: 0.819020356457179
Energy: 1.1386996181639062
Energy: 0.819020356457179
Energy: 1.1386996181639062
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.8624852450649195
Energy: 0.8808355305702688
Energy: 0.862485245064326
Energy: 0.8808355305708624
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.8623323786836794
Energy: 0.8808557088620738
Energy: 0.8623323786836794
Energy: 0.8808557088626675
Energy: 0.8623323786830859
Energy: 0.8808557088620738
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.8191693598189823
Energy: 1.1389264944838526
Energy: 0.8191693598195761
Energy: 1.1389264944826656
Energy: 0.8191693598195761
Energy: 1.1389264944826656
Energy: 0.9669819386383124
Energy: 1.1423480301450355
Energy: 0.9669819386371252
Energy: 1.142348030145629
Energy: 0.9669819386383124
Energy: 1.142348030145629
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.8853847197036839
Energy: 0.8649301751035728
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.9670990162316782
Energy: 1.1423347654503777
Energy: 0.9670990162328655
Energy: 1.142334765449784
Energy: 0.9670990162334592
Energy: 1.1423347654503777
Energy: 0.819020356457179
Energy: 1.1386996181645
Energy: 0.819020356457179
Energy: 1.1386996181639062
Energy: 0.819020356457179
Energy: 1.1386996181650935
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.9244866530055934
Energy: 0.8191296920224374
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.8623323786836794
Energy: 0.8808557088620738
Energy: 0.8623323786836794
Energy: 0.8808557088620738
Energy: 0.8623323786836794
Energy: 0.8808557088620738
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.9245881293497661
Energy: 0.8191292141143857
Energy: 0.8191693598195761
Energy: 1.1389264944844464
Energy: 0.8191693598195761
Energy: 1.1389264944832593
Energy: 0.8191693598195761
Energy: 1.1389264944826656
Energy: 0.9669819386389061
Energy: 1.142348030145629
Energy: 0.9669819386377188
Energy: 1.1423480301450355
Energy: 0.9669819386371252
Energy: 1.1423480301450355
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.8853847197024969
Energy: 0.8649301751035728
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.9670990162322719
Energy: 1.1423347654503777
Energy: 0.9670990162328655
Energy: 1.142334765449784
Energy: 0.9670990162316782
Energy: 1.142334765449784
Energy: 0.8190203564565854
Energy: 1.1386996181645
Energy: 0.819020356457179
Energy: 1.1386996181633127
Energy: 0.819020356457179
Energy: 1.1386996181645
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.9244866530044061
Energy: 0.8191296920224374
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.862485245064326
Energy: 0.8808355305702688
Energy: 0.8623323786836794
Energy: 0.8808557088620738
Energy: 0.8623323786836794
Energy: 0.8808557088620738
Energy: 0.8623323786830859
Energy: 0.8808557088620738
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.9245881293503596
Energy: 0.8191292141143857
Energy: 0.8191693598189823
Energy: 1.1389264944838526
Energy: 0.8191693598189823
Energy: 1.1389264944832593
Energy: 0.8191693598189823
Energy: 1.1389264944832593
Energy: 0.9669819386389061
Energy: 1.1423480301450355
Energy: 0.9669819386371252
Energy: 1.142348030145629
Energy: 0.9669819386394997
Energy: 1.142348030145629
Energy: 0.8853847197036839
Energy: 0.8649301751035728
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.8853847197030904
Energy: 0.8649301751035728
Energy: 0.9670990162328655
Energy: 1.1423347654503777
Energy: 0.9670990162322719
Energy: 1.142334765449784
Energy: 0.9670990162322719
Energy: 1.142334765449784
Energy: 0.8190203564565854
Energy: 1.1386996181650935
Energy: 0.8190203564565854
Energy: 1.1386996181645
Energy: 0.819020356457179
Energy: 1.1386996181662807

minimum gb energy = 0.8190203564565854 eV
minimum distance =  2.28779140638691 Angstroms
sigma value = 27


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

Energy: 0.8614811619951278
Energy: 0.8268836214837743
Energy: 0.8614811619951278
Energy: 0.8268836214823202
Energy: 0.8614811619951278
Energy: 0.8268836214837743
Energy: 0.9907273811397127
Energy: 0.8543357349893032
Energy: 0.9907273811397127
Energy: 0.8543357349922114
Energy: 0.9907273811338965
Energy: 0.8543357349922114
Energy: 0.8449270562224244
Energy: 0.9608762685193618
Energy: 0.8449270567950639
Energy: 0.9608762685179076
Energy: 0.8449270576482069
Energy: 0.9608762685135454
Energy: 1.0175916586144278
Energy: 0.8041514350189265
Energy: 1.0175916586144278
Energy: 0.8041514350189265
Energy: 1.0175916586129736
Energy: 0.8041514350174724
Energy: 1.0148817464705757
Energy: 0.8039897098980565
Energy: 1.0148817464705757
Energy: 0.8039897098980565
Energy: 1.0148817464705757
Energy: 0.8039897098980565
Energy: 1.0282087644356706
Energy: 1.0794821537536579
Energy: 1.0282087644342164
Energy: 1.0794821537551118
Energy: 1.0282087644342164
Energy: 1.0794821537492956
Energy: 0.9633571521332448
Energy: 0.8576425286745352
Energy: 0.9633571521332448
Energy: 0.8576425286730812
Energy: 0.9633571521332448
Energy: 0.8576425286730812
Energy: 0.8528859534386498
Energy: 0.8283454304777882
Energy: 0.8528859534371958
Energy: 0.8283454304792423
Energy: 0.8528859534371958
Energy: 0.8283454304777882
Energy: 1.0153188606703238
Energy: 0.845255393718609
Energy: 1.0153188606514207
Energy: 0.8452553938784908
Energy: 1.0153188605947452
Energy: 0.8452553937404201
Energy: 1.0024420898099338
Energy: 1.0384128843167635
Energy: 1.0024420898099338
Energy: 1.0384128842716873
Energy: 1.0024420898099338
Energy: 1.0384128841510656
Energy: 0.8278166478234542
Energy: 0.8066228146201282
Energy: 0.8278166478234542
Energy: 0.8066228146201282
Energy: 0.8278166478220003
Energy: 0.8066228146201282
Energy: 1.129157879308444
Energy: 0.9910738170348852
Energy: 1.129157879308444
Energy: 0.9910738170232526
Energy: 1.129157879308444
Energy: 0.991073816988388

minimum gb energy = 0.8039897098980565 eV
minimum distance =  2.26502676265171 Angstroms
sigma value = 9


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

Energy: 0.9424429578222373
Energy: 0.7483846683822013
Energy: 0.9424429578222373
Energy: 0.7483846683830184
Energy: 0.9424429578222373
Energy: 0.748384668383427
Energy: 0.8294136378364046
Energy: 0.7744259965865947
Energy: 0.8294136378200996
Energy: 0.7744259965874118
Energy: 0.8294136378188738
Energy: 0.7744259965874118
Energy: 0.7244940248243968
Energy: 0.8385701500828708
Energy: 0.7244940248256225
Energy: 0.8385701500849135
Energy: 0.7244940248268482
Energy: 0.8385701500832793
Energy: 0.7788638460624298
Energy: 0.7404480343502242
Energy: 0.7788638460616126
Energy: 0.7404480343498155
Energy: 0.7788638460624298
Energy: 0.7404480343510413
Energy: 0.79713912699843
Energy: 0.748466666962627
Energy: 0.797139126997613
Energy: 0.748466666962627
Energy: 0.7971391269996558
Energy: 0.748466666962627
Energy: 0.8562774180055795
Energy: 0.8435932337856513
Energy: 0.85627741785653
Energy: 0.8435921192028452
Energy: 0.8562774171190073
Energy: 0.8435887861490434
Energy: 0.8259792671971314
Energy: 0.8445091507471956
Energy: 0.8259792667544766
Energy: 0.8445091507480127
Energy: 0.8259792646802989
Energy: 0.844509150746787
Energy: 0.7246910146415573
Energy: 0.775889993029409
Energy: 0.7246910146415573
Energy: 0.7758899930232807
Energy: 0.7246910146415573
Energy: 0.7758899930273662
Energy: 0.7966353086881613
Energy: 0.7481109739158279
Energy: 0.7966387708136968
Energy: 0.7481109739158279
Energy: 0.7966321532380312
Energy: 0.7481109739158279
Energy: 0.7550336327814043
Energy: 0.917976602263137
Energy: 0.7550336327842643
Energy: 0.9179766022635455
Energy: 0.7550336327842643
Energy: 0.9179766022639541
Energy: 0.7760668627531907
Energy: 0.7502465848929015
Energy: 0.776066862754825
Energy: 0.7502465848933101
Energy: 0.7760668627523736
Energy: 0.7502465848933101
Energy: 0.7642490632993616
Energy: 0.9281213856627677
Energy: 0.764249063298953
Energy: 0.9281213856545966
Energy: 0.76424906329977
Energy: 0.9281213856619506
Energy: 0.6326952395161706
Energy: 0.8213998653264806
Energy: 0.6307138944050747
Energy: 0.8213998652823563
Energy: 0.6307787843354712
Energy: 0.8213998651284039
Energy: 0.9318251257155918
Energy: 0.6760161644707496
Energy: 0.9318251256404542
Energy: 0.6779610002138925
Energy: 0.931825125395022
Energy: 0.6780324068924737
Energy: 0.7528369684216973
Energy: 0.8146657194083767
Energy: 0.7528369684216973
Energy: 0.8146657194067424
Energy: 0.7528369684204717
Energy: 0.8146657194096023
Energy: 0.8806498639233364
Energy: 0.8279804364721469
Energy: 0.880611768304591
Energy: 0.8279804351000214
Energy: 0.6643087489514026
Energy: 0.8279804318603369
Energy: 0.982666657495518
Energy: 0.7409099319891531
Energy: 0.9826666574959266
Energy: 0.7409099319887446
Energy: 0.9826666574967438
Energy: 0.7409099319862932
Energy: 0.7677771683002623
Energy: 0.7557335033358404
Energy: 0.7677771683006709
Energy: 0.7557335033354319
Energy: 0.7677771683006709
Energy: 0.7557335033358404
Energy: 0.7198148375151334
Energy: 0.97510421751146
Energy: 0.7198148375143163
Energy: 0.9751042175102345
Energy: 0.7198148375151334
Energy: 0.9751042175155457
Energy: 0.9174484127653263
Energy: 0.6922082832189829
Energy: 0.9174484127653263
Energy: 0.6922082832189829
Energy: 0.9174484127645092
Energy: 0.6922082832189829
Energy: 0.7198159519803489
Energy: 0.9750717837182421
Energy: 0.7198159519807574
Energy: 0.9750717837166079
Energy: 0.7198159519795317
Energy: 0.9750717837161994
Energy: 0.7680945790541598
Energy: 0.7557427027476469
Energy: 0.7680945790525255
Energy: 0.7557427027476469
Energy: 0.7680945790545683
Energy: 0.7557427027476469
Energy: 0.9827554720739436
Energy: 0.7411111637117701
Energy: 0.9827554720743523
Energy: 0.7411111637142215
Energy: 0.9827554720751694
Energy: 0.7411111637121787
Energy: 0.8806286716053601
Energy: 0.9158971899203044
Energy: 0.8806148378150428
Energy: 0.9158971898034937
Energy: 0.8805546897190932
Energy: 0.9158971894510561
Energy: 0.7528072660932047
Energy: 0.8144768952299956
Energy: 0.7528072660932047
Energy: 0.8144768952295871
Energy: 0.7528072660940217
Energy: 0.8144768952295871
Energy: 0.9318737214398897
Energy: 0.8201056590740093
Energy: 0.9318737212593808
Energy: 0.8201056590727838
Energy: 0.9318737207146237
Energy: 0.8201056590715581
Energy: 0.8532016061427166
Energy: 0.8214190485483985
Energy: 0.6303458704407352
Energy: 0.8214190484994088
Energy: 0.6295204566652363
Energy: 0.8214190483528105
Energy: 0.7639576567447461
Energy: 0.8371178428602818
Energy: 0.7639576567451548
Energy: 0.8371178424086388
Energy: 0.7639576567447461
Energy: 0.8371178409842177
Energy: 0.7761040165000147
Energy: 0.7500686275972025
Energy: 0.7761040165028746
Energy: 0.7500686275955684
Energy: 0.7761040165008318
Energy: 0.7500686275959769
Energy: 0.7549716706941229
Energy: 0.7371458514498561
Energy: 0.7549716706953487
Energy: 0.7369984477000887
Energy: 0.7549716706924887
Energy: 0.7369086666070819
Energy: 0.7966250397866114
Energy: 0.7483709412114266
Energy: 0.7966233888210962
Energy: 0.748370941211018
Energy: 0.7966188522338072
Energy: 0.7483709412114266
Energy: 0.7248916757660163
Energy: 0.8288313889348432
Energy: 0.7248916757660163
Energy: 0.828831388936069
Energy: 0.7248916757668334
Energy: 0.8288313889364775
Energy: 0.826246206394441
Energy: 0.844710219550964
Energy: 0.8262462059219616
Energy: 0.8447102195501469
Energy: 0.8262462047290817
Energy: 0.8447102195505556
Energy: 0.856125087829558
Energy: 0.8321136774882716
Energy: 0.8561250874121968
Energy: 0.6365391631771193
Energy: 0.8561250864978426
Energy: 0.45150329612966544
Energy: 0.7969275652507708
Energy: 0.7484213390375167
Energy: 0.7969275652503623
Energy: 0.7484213390387425
Energy: 0.7969275652499537
Energy: 0.7484213390375167
Energy: 0.7787006698652874
Energy: 0.7403265710896618
Energy: 0.7787006698652874
Energy: 0.7403265710880275
Energy: 0.778700669865696
Energy: 0.740326571091296
Energy: 0.724395293322703
Energy: 0.8387737578745985
Energy: 0.724395293321886
Energy: 0.8387737578733728
Energy: 0.7243952933214775
Energy: 0.8387737578721473
Energy: 0.8275051317139843
Energy: 0.7359317654687264
Energy: 0.8275051317148014
Energy: 0.7359317654683178
Energy: 0.8275051317148014
Energy: 0.7882749028155958
Energy: 0.9424429578214203
Energy: 0.7483846683850612
Energy: 0.9424429578218289
Energy: 0.7483846683850612
Energy: 0.9424429578222373
Energy: 0.7483846683850612
Energy: 0.8294136378323189
Energy: 0.7744259965882291
Energy: 0.829413637835996
Energy: 0.7744259965878205
Energy: 0.8294136378376301
Energy: 0.7744259965882291
Energy: 0.7244940248248054
Energy: 0.8385701500824622
Energy: 0.7244940248260312
Energy: 0.8385701500791938
Energy: 0.7244940248256225
Energy: 0.838570150083688
Energy: 0.7788638460616126
Energy: 0.7404480343514499
Energy: 0.778863846061204
Energy: 0.7404480343514499
Energy: 0.7788638460624298
Energy: 0.7404480343518584
Energy: 0.7971391269988386
Energy: 0.7484666669618099
Energy: 0.7971391269967959
Energy: 0.748466666962627
Energy: 0.7971391269988386
Energy: 0.748466666962627

minimum gb energy = 0.45150329612966544 eV
minimum distance =  2.3478886178739 Angstroms
sigma value = 57


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

Energy: 0.9743915816872867
Energy: 0.7294953862912886
Energy: 0.408699878236712
Energy: 0.7294953862912886
Energy: 0.9743915816863565
Energy: 0.7294953862931486
Energy: 0.6447430243103728
Energy: 0.6924614320617578
Energy: 0.644743023969222
Energy: 0.6971001480191362
Energy: 0.6447430258321504
Energy: 0.6924614320598977
Energy: 0.7658352880156458
Energy: 0.7390746370904987
Energy: 0.7658352880156458
Energy: 0.45223171165465725
Energy: 0.7658352880156458
Energy: 0.7390746370914287
Energy: 0.7921685028620077
Energy: 0.5142367510764912
Energy: 0.7921685028601475
Energy: 0.5140877413477184
Energy: 0.7921685028601475
Energy: 0.5142367510764912
Energy: 0.36405125661875143
Energy: 0.0455185672405373
Energy: 0.3640512566206115
Energy: 0.04551856704717627
Energy: 0.3640512566206115
Energy: 0.045518568691675095
Energy: 0.669156431318858
Energy: 0.6831920811084268
Energy: 0.3610278018527043
Energy: 0.6831920810563875
Energy: 0.669156431318858
Energy: 0.6831920810498774
Energy: 0.6716668200140372
Energy: 0.356558831351239
Energy: 0.36114448590514275
Energy: 0.356558831351239
Energy: 0.6716668200149672
Energy: 0.356558831351239
Energy: 0.8020836927608798
Energy: 0.3715562225972488
Energy: 0.8020836927618097
Energy: 0.3715562225972488
Energy: 0.8020836927627398
Energy: 0.37155622259817883
Energy: 0.779297010737188
Energy: 0.5141852081308437
Energy: 0.779297010737188
Energy: 0.5137607274936838
Energy: 0.779297010737188
Energy: 0.5141852081317737
Energy: 0.3553696748178876
Energy: 0.6917992472419188
Energy: 0.3553696748178876
Energy: 0.6917992474566702
Energy: 0.3553696748188176
Energy: 0.6917992474092812
Energy: 0.3743970646138787
Energy: 0.7039131884264788
Energy: 0.37439706461294875
Energy: 0.7039131884246187
Energy: 0.37439706461294875
Energy: 0.7039131884255486
Energy: 0.9743915816872867
Energy: 0.7294953862912886
Energy: 0.408699878236712
Energy: 0.7294953862912886
Energy: 0.9743915816863565
Energy: 0.7294953862912886
Energy: 0.6447430249564455
Energy: 0.6924614320598977
Energy: 0.644743024735226
Energy: 0.6971001480191362
Energy: 0.6447430229299171
Energy: 0.6924614320598977
Energy: 0.7658352880156458
Energy: 0.7390746370830586
Energy: 0.7658352880156458
Energy: 0.4522317117011163
Energy: 0.7658352880147158
Energy: 0.7390746370858486
Energy: 0.7921685028620077
Energy: 0.5142367510755612
Energy: 0.7921685028592176
Energy: 0.5140877413486484
Energy: 0.7921685028592176
Energy: 0.5142367510755612
Energy: 0.36405125661968146
Energy: 0.04551856744412863
Energy: 0.36405125662149923
Energy: 0.04551856703419817
Energy: 0.3640512566206115
Energy: 0.04551856771184955
Energy: 0.669156431317928
Energy: 0.6831920809662172
Energy: 0.3610278018517742
Energy: 0.6831920810935886
Energy: 0.669156431317928
Energy: 0.683192081037787
Energy: 0.6716668200149672
Energy: 0.356558831351239
Energy: 0.36114448590421266
Energy: 0.356558831351239
Energy: 0.6716668200140372
Energy: 0.35655883135216904
Energy: 0.8020836927608798
Energy: 0.3715562225972488
Energy: 0.8020836927618097
Energy: 0.3715562225972488
Energy: 0.8020836927627398
Energy: 0.3715562225972488

minimum gb energy = 0.04551856703419817 eV
minimum distance =  2.43300188949643 Angstroms
sigma value = 11


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

Energy: 0.609399597642573
Energy: 0.8041539508810104
Energy: 0.6093995976398479
Energy: 0.8041539508816915
Energy: 0.6093995976418917
Energy: 0.8041539508830541
Energy: 0.7936182216166914
Energy: 0.757072926673181
Energy: 0.7936182216173726
Energy: 0.757072926673181
Energy: 0.7936182216153288
Energy: 0.757072926673181
Energy: 0.8349674033905609
Energy: 0.9035359140051935
Energy: 0.8349674033905609
Energy: 0.9035357395328348
Energy: 0.8349674033898796
Energy: 0.9035351708516446
Energy: 0.8281283264817778
Energy: 0.5105869216386708
Energy: 0.8281283264851841
Energy: 0.510586921636627
Energy: 0.8281283264851841
Energy: 0.5105869216352644
Energy: 0.7797586049984246
Energy: 0.55376405848503
Energy: 0.7797586049977434
Energy: 0.5537640584857112
Energy: 0.7797586049984246
Energy: 0.55376405848503
Energy: 0.7107550708398895
Energy: 0.7734051410355851
Energy: 0.7107550708378457
Energy: 0.7734051410362663
Energy: 0.710755070838527
Energy: 0.7734051410349039
Energy: 0.5212130519480332
Energy: 0.9765887861737315
Energy: 0.5212130519459894
Energy: 0.9765885489133743
Energy: 0.521213051947352
Energy: 0.9765878202330133
Energy: 0.7973406386176697
Energy: 0.230009809404874
Energy: 0.7973406386190319
Energy: 0.227060409301787
Energy: 0.7973406386183508
Energy: 0.2121532499644047
Energy: 0.7990919060868259
Energy: 0.22230253824783758
Energy: 0.7990919060875074
Energy: 0.2225604291481484
Energy: 0.7990919060868259
Energy: 0.23129639855624778
Energy: 0.5216895517484204
Energy: 1.0346004238054487
Energy: 0.5216895517470578
Energy: 1.0346004238054487
Energy: 0.521689551747739
Energy: 1.0346004238047675
Energy: 0.845872253836491
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Energy: 0.7034456674979113
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Energy: 0.7771278966973657
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Energy: 0.7978689249299988
Energy: 0.6647814188899397
Energy: 0.7978689249293175
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Energy: 0.7978689249286364
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Energy: 1.0359670267031023
Energy: 0.5268118206329989
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Energy: 0.5268118206336803
Energy: 1.0359670267024208
Energy: 1.2049661513060195
Energy: 0.8964369713493164
Energy: 1.2049661513039758
Energy: 0.8964369713506789
Energy: 1.2049661513039758
Energy: 0.8964369713499978

minimum gb energy = -0.3578342403603923 eV
minimum distance =  2.31857554392092 Angstroms
sigma value = 41


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

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Energy: 0.6196705994929979
Energy: 0.6888632816605162
Energy: 0.6196705994935349
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Energy: -0.2678580981466531
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Energy: 0.45938674972155835
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Energy: 1.0133850108546525
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Energy: 0.48441296221863106
Energy: -0.25366920145872407
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Energy: -0.3766783545122687
Energy: -0.11358083174510399
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Energy: 0.09402412962819759
Energy: -0.27258824177101604
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Energy: -0.2787978814404834
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Energy: 0.8024680481942075
Energy: 0.6063159464387827
Energy: 0.8024680481936706
Energy: 0.6063159464382458
Energy: 0.8024680481947445
Energy: -0.26035471292732304
Energy: 0.9228721689688665
Energy: -0.36737762237264077
Energy: 0.9228721689683295
Energy: 0.15021141595434545
Energy: 0.9228721689688665
Energy: 1.0099210353984052
Energy: 0.4809207462229522
Energy: 1.009921035400553
Energy: 0.48091851105706657
Energy: 1.009921035399479
Energy: 0.48091702344090753
Energy: -0.18900423743422565
Energy: 0.7618605545283844
Energy: -0.21211301789349676
Energy: 0.7618605545283844
Energy: -0.2073521905063374
Energy: 0.7618605545283844
Energy: 0.6056740114089992
Energy: 0.6366213360857335
Energy: 0.6056740114095363
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Energy: 0.6056740114095363
Energy: 0.6366213360851966
Energy: 0.4574014466796762
Energy: 0.3154285895531291
Energy: 0.4574014457087708
Energy: 0.3159251333276924
Energy: 0.4574014448038614
Energy: 0.31647341611794433

minimum gb energy = -0.5337569242727883 eV
minimum distance =  2.30542258636988 Angstroms
sigma value = 33


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

Energy: 0.695442329192767
Energy: 0.6176136711309688
Energy: 0.695442329194617
Energy: 0.6176136711350797
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Energy: 0.26181312812949925
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Energy: 0.4176099690466574
Energy: 0.27285424176103523
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Energy: 0.2696759939050157
Energy: 1.0656402613352385
Energy: -0.4507184934998226
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Energy: 0.2623409857001493
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Energy: 0.832737274106344
Energy: 0.2505646313363602
Energy: 0.8327372741060015
Energy: 0.257081079114959
Energy: 0.8327372741075088
Energy: -0.6584724784367586
Energy: 0.783631906625591
Energy: 0.25181246079544517
Energy: 0.7836319066260021
Energy: 0.25949643142929585
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Energy: 0.16765423420985615
Energy: 0.8926319019270772
Energy: 0.16908074088559868
Energy: 0.8926319019285845
Energy: 0.16953109191675436
Energy: 0.8926319019266662

minimum gb energy = -0.8688819257963685 eV
minimum distance =  2.36765330581037 Angstroms
sigma value = 67


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

Energy: 0.7447718100457109
Energy: 0.6263762002534139
Energy: 0.7447718100467127
Energy: 0.6263762002534139
Energy: 0.7447718100454535
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Energy: 0.6108594715604203
Energy: -0.037054368188109775
Energy: 0.6120224068597535
Energy: -0.038029164852753816
Energy: 0.9428974074079708
Energy: 0.7499026007252747
Energy: 0.6339687892782331
Energy: 0.7499026007252747
Energy: 0.6339687894997488
Energy: 0.7499026007252747

minimum gb energy = -0.03907406540844425 eV
minimum distance =  2.37105840924394 Angstroms
sigma value = 3


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

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Energy: 0.5400887300066115
Energy: 0.823037341852948
Energy: 0.5434888708465336
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Energy: -1.3739224897820443
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Energy: -1.621225829324783
Energy: -1.8797344840268444
Energy: -1.4736744852742558
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Energy: -1.689104924028684
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Energy: -1.596883314176865
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Energy: -1.6205863266376597
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Energy: -1.4008914679718059
Energy: -1.7117432900153455
Energy: -1.359181544751156
Energy: -1.6775730598585135

minimum gb energy = -2.1540814686359506 eV
minimum distance =  2.31667008158292 Angstroms
sigma value = 81


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

Energy: 0.8806005944290847
Energy: 0.6215518786745475
Energy: 0.8806005944290847
Energy: 0.6215518700025326
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Energy: -0.8359632631980772
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Energy: -0.808809635320186
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Energy: -1.294361424719715
Energy: 0.3111490951320017
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Energy: -1.3160027198908886
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Energy: -1.0356738361255913
Energy: 0.7115246250586802
Energy: -1.0711190996074762
Energy: 0.7115246250591505
Energy: -1.0014304500784608

minimum gb energy = -1.4750919712161346 eV
minimum distance =  2.34227240935657 Angstroms
sigma value = 43


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

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Energy: 0.1509749465095045
Energy: 0.9495707718786641
Energy: 0.15120688431429913
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Energy: 0.1609016592147752
Energy: -0.6625020160435751
Energy: 0.1621502377747009
Energy: -0.5989915276916737

minimum gb energy = -0.9984298161577496 eV
minimum distance =  2.34113612358577 Angstroms
sigma value = 57


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

Energy: 0.15546015369577076
Energy: 0.722754366297117
Energy: 0.17182033154527523
Energy: 0.722754366297117
Energy: 0.17544574335046223
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Energy: -0.18725808855793685
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Energy: -0.19798817754322104
Energy: 0.2262848381925914
Energy: 0.5004981389903953
Energy: 0.22570857813153583
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Energy: 0.22687107161783174
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Energy: 0.57504409546861
Energy: -0.21583506085757073
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Energy: -0.21479813927348446
Energy: 0.57504409546861
Energy: -0.21819167300057582
Energy: 0.7392475606318286
Energy: 0.7405470787378979
Energy: 0.7392475606310805
Energy: 0.7405470787386461
Energy: 0.7392475606206069
Energy: 0.7405470787378979
Energy: -0.13519184828903208
Energy: -0.14461954902766194
Energy: -0.13611317294731162
Energy: 0.18982805163605282
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Energy: 0.13246863120485664
Energy: -0.18699350626439318
Energy: 0.15383030109384455
Energy: -0.18402118783506505
Energy: 0.15374155308156492

minimum gb energy = -1.4963225022564715 eV
minimum distance =  2.37854394071305 Angstroms
sigma value = 17


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

Energy: 0.8421933459635427
Energy: 0.7484568092406619
Energy: 0.8421933459635427
Energy: 0.7484568092406619
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Energy: -0.9448705759498539
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Energy: -0.9440996326888755
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Energy: 0.7824634426723287
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Energy: 0.7824634426723287
Energy: 0.7537950552709466
Energy: 0.8495718138291604
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Energy: 0.37804093263885047
Energy: 0.7059500379060852
Energy: 0.3791271461776527
Energy: 0.7059500379050272
Energy: 0.3770193182440265
Energy: 0.7059500379039693
Energy: 0.36787799205859556
Energy: 0.7838880106351079
Energy: 0.3793358211347505
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Energy: 0.7281771799930644
Energy: 0.7529363451480907
Energy: 0.7281771798492257
Energy: 0.7529363451480907
Energy: 0.7281771795055706

minimum gb energy = -1.036649386206828 eV
minimum distance =  2.32061391931456 Angstroms
sigma value = 17


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

Energy: 0.6066996862505142
Energy: 0.5557371906590335
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Energy: 0.5557371906590335
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Energy: 0.6066996862443857
Energy: 0.5557371906565822
Energy: 0.6066996862460199
Energy: 0.5557371906578078
Energy: 0.661927671617597
Energy: 0.6362547773147704
Energy: 0.66192767161678
Energy: 0.6362547773090506
Energy: 0.6619276716159629
Energy: 0.6362547773172217
Energy: 0.6977079583049921
Energy: 0.7253594161521605
Energy: 0.697707954323291
Energy: 0.7253594161521605
Energy: 0.6977079421009622
Energy: 0.7253594161521605
Energy: 0.6298339109767922
Energy: 0.7080254578430745
Energy: 0.6298339109783894
Energy: 0.500438083318534
Energy: 0.6298339109776094
Energy: 0.5003532435751283
Energy: 0.6513683408247293
Energy: 0.6210973247465302
Energy: 0.6513683408239122
Energy: 0.6210973247461216
Energy: 0.6513683408247293
Energy: 0.6210973247461216

minimum gb energy = 0.37366697026587653 eV
minimum distance =  2.34109000412866 Angstroms
sigma value = 57


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

Energy: 0.5624156438933329
Energy: 0.6184864353990357
Energy: 0.5624156438920025
Energy: 0.6184864353990357
Energy: 0.5624156438913372
Energy: 0.6184864353983706
Energy: 0.6223669646493202
Energy: 0.662470324157429
Energy: 0.6223669646493202
Energy: 0.6624703241567638
Energy: 0.6223669646499854
Energy: 0.6624703241567638
Energy: 0.6593540096914736
Energy: 0.660267390677664
Energy: 0.6593540096854865
Energy: 0.6602673906763336
Energy: 0.6593540096688557
Energy: 0.660267390677664
Energy: 0.5950970508942145
Energy: 0.705702392506003
Energy: 0.5950970508888928
Energy: 0.705702392506003
Energy: 0.5950970508922189
Energy: 0.7057023925053377
Energy: 0.6243669009704198
Energy: 0.589589993393133
Energy: 0.624366900973746
Energy: 0.589589993393133
Energy: 0.6243669009724154
Energy: 0.5895899933937981
Energy: 0.6491125256122128
Energy: 0.6126264462734897
Energy: 0.6491125256135432
Energy: 0.6126264462734897
Energy: 0.6491125256115475
Energy: 0.612626446274155
Energy: 0.5884006377559112
Energy: 0.6857462457636135
Energy: 0.5884006377525851
Energy: 0.6857462457636135
Energy: 0.5884006377519199
Energy: 0.6857462457636135
Energy: 0.5240695469610228
Energy: 0.7220761530492187
Energy: 0.5251166872597508
Energy: 0.7220761530518192
Energy: 0.5242570145140196
Energy: 0.7220761530518192
Energy: 0.6547475117719762
Energy: 0.6145032475867623
Energy: 0.6547475117719762
Energy: 0.614503247585432
Energy: 0.6547475117719762
Energy: 0.6145032475860972
Energy: 0.6255170423828005
Energy: 0.6606596466185565
Energy: 0.6255170423828005
Energy: 0.6606596466192218
Energy: 0.6255170423821353
Energy: 0.6606596466192218
Energy: 0.5822601325816628
Energy: 0.5519065113921734
Energy: 0.5822601325863195
Energy: 0.552710121931623
Energy: 0.5822601325863195
Energy: 0.5535322065176626
Energy: 0.6735789446390619
Energy: 0.586904068154898
Energy: 0.6735789446390619
Energy: 0.5869040681595545
Energy: 0.6735789446390619
Energy: 0.5869040681555633
Energy: 0.624644435557904
Energy: 0.6635613582086017
Energy: 0.6246444355585693
Energy: 0.6635613582086017
Energy: 0.6246444355565737
Energy: 0.6635613582086017
Energy: 0.5953700778061684
Energy: 0.6539711887974051
Energy: 0.5953700778074987
Energy: 0.6539711887967399
Energy: 0.5953700778081641
Energy: 0.6539711887974051
Energy: 0.7163395431101676
Energy: 0.5713146701501562
Energy: 0.7163395431108328
Energy: 0.5713146701541477
Energy: 0.7163395431108328
Energy: 0.5713146701428388
Energy: 0.6234848384904635
Energy: 0.6180646530676503
Energy: 0.6234848384897984
Energy: 0.618064653068981
Energy: 0.6234848384911289
Energy: 0.618064653068981
Energy: 0.65550150879499
Energy: 0.6256520210400196
Energy: 0.65550150879626
Energy: 0.6256520210420152
Energy: 0.6555015087943247
Energy: 0.6256520210420152
Energy: 0.6116303194600532
Energy: 0.5697561943362435
Energy: 0.611630319459388
Energy: 0.5697561943389043
Energy: 0.6116303194613838
Energy: 0.5697561943329172
Energy: 0.6036981277859157
Energy: 0.6557815549057612
Energy: 0.6036981277865205
Energy: 0.655781554905096
Energy: 0.6036981277859157
Energy: 0.6557815549064265
Energy: 0.6082993260229977
Energy: 0.7001352598541459
Energy: 0.6082993260243282
Energy: 0.7001352598541459
Energy: 0.608299326023663
Energy: 0.7001352598541459
Energy: 0.6261103592682908
Energy: 0.6438732824607961
Energy: 0.6261103592696213
Energy: 0.6438732824594656
Energy: 0.6261103592682908
Energy: 0.6438732824581351
Energy: 0.5925835417229176
Energy: 0.6590255225026509
Energy: 0.5925835417222524
Energy: 0.659025522503316
Energy: 0.5925835417222524
Energy: 0.6590255224979942
Energy: 0.6465586086541816
Energy: 0.6768689382773578
Energy: 0.6465586086548469
Energy: 0.6768689382766926
Energy: 0.6465586086541816
Energy: 0.6768689382773578
Energy: 0.6764696660616412
Energy: 0.6719637078454022
Energy: 0.676469666060976
Energy: 0.6719637078460673
Energy: 0.6764696660623064
Energy: 0.6719637078473979
Energy: 0.6809409388664116
Energy: 0.6415681795435105
Energy: 0.6809409388670767
Energy: 0.6415681795448409
Energy: 0.6809409388670767
Energy: 0.641568179548167
Energy: 0.6232168426572665
Energy: 0.6755444531582573
Energy: 0.6232168426566013
Energy: 0.6755444531589224
Energy: 0.6232168426559361
Energy: 0.6755444531589224
Energy: 0.5890885729708697
Energy: 0.6551032247676105
Energy: 0.5890885729708697
Energy: 0.6551032247662801
Energy: 0.5890885729715349
Energy: 0.6551032247669453

minimum gb energy = 0.5240695469610228 eV
minimum distance =  2.34721180365931 Angstroms
sigma value = 43


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

Energy: 0.5911244296143366
Energy: 0.5399264512773921
Energy: 0.5911244296138519
Energy: 0.5399264512769074
Energy: 0.5911244296138519
Energy: 0.5399264512764227
Energy: 0.605633965093151
Energy: 0.6023871026004408
Energy: 0.6056339650926663
Energy: 0.6023871026004408
Energy: 0.6056339650916971
Energy: 0.6023871026014102
Energy: 0.5559786169075357
Energy: 0.6007059056581066
Energy: 0.5559786095256146
Energy: 0.6007059056585912
Energy: 0.555978591516198
Energy: 0.6007059056581066
Energy: 0.5395806337464492
Energy: 0.5879501841766754
Energy: 0.5395806337314238
Energy: 0.5879501841776448
Energy: 0.5395806337174118
Energy: 0.5879501841776448
Energy: 0.6073297524001833
Energy: 0.5565846108867826
Energy: 0.6073297524011527
Energy: 0.5565846108862978
Energy: 0.6073297524001833
Energy: 0.5565846108858131
Energy: 0.53784668423646
Energy: 0.5367184808512332
Energy: 0.5378466842354908
Energy: 0.536718480849779
Energy: 0.5378466842354908
Energy: 0.536718480849779
Energy: 0.5097295207729572
Energy: 0.5791479849966591
Energy: 0.5097295206625361
Energy: 0.5791479849976285
Energy: 0.5097295202012871
Energy: 0.5791479849971438
Energy: 0.6059842430071013
Energy: 0.48321467485655983
Energy: 0.6059842430071013
Energy: 0.48321467485462105
Energy: 0.6059842430075859
Energy: 0.48321467484589664
Energy: 0.5221293101404091
Energy: 0.5262211886990118
Energy: 0.5221293101389551
Energy: 0.5262211886990118
Energy: 0.5221293101399244
Energy: 0.5262211886994965
Energy: 0.540327691123573
Energy: 0.5529617082584792
Energy: 0.540327691123573
Energy: 0.552961708258964
Energy: 0.5403276911226037
Energy: 0.552961708258964
Energy: 0.6762197037153147
Energy: 0.5528725208051154
Energy: 0.67621970371483
Energy: 0.5528725208070542
Energy: 0.6762197037143453
Energy: 0.5528725207828197
Energy: 0.5272578459301533
Energy: 0.5272496117804935
Energy: 0.527257845930638
Energy: 0.5272496117800088
Energy: 0.5272578459311227
Energy: 0.5272496117814628
Energy: 0.5402790015268204
Energy: 0.5259569576951304
Energy: 0.5402790015399072
Energy: 0.5259569576951304
Energy: 0.5402790015423306
Energy: 0.5259569576946457
Energy: 0.6657563815757928
Energy: 0.5124524923634285
Energy: 0.6657563815748233
Energy: 0.42364541990335164
Energy: 0.6657563815748233
Energy: 0.4236212358208491
Energy: 0.5441524732541936
Energy: 0.5277028959761217
Energy: 0.5441524732537089
Energy: 0.5277028959770912
Energy: 0.5441524732541936
Energy: 0.5277028959770912
Energy: 0.5627060273630997
Energy: 0.5374480039385467
Energy: 0.5627060273626151
Energy: 0.5374480039385467
Energy: 0.5627060273630997
Energy: 0.5374480039395162
Energy: 0.5098206995791745
Energy: 0.5818345095229613
Energy: 0.5098206995786898
Energy: 0.5818344935260669
Energy: 0.5098206995786898
Energy: 0.5818344474931799
Energy: 0.5589011602546078
Energy: 0.5062290349475184
Energy: 0.5589011602550924
Energy: 0.5062290349446102
Energy: 0.5589011602550924
Energy: 0.5062290349484877
Energy: 0.5373115981300978
Energy: 0.5607103137845517
Energy: 0.5373115981291284
Energy: 0.5607103137850363
Energy: 0.5373115981286437
Energy: 0.5607103137840671
Energy: 0.5960799748400739
Energy: 0.5237075047837212
Energy: 0.5960799748405586
Energy: 0.523707504787114
Energy: 0.596079974841528
Energy: 0.5237075047929303
Energy: 0.6003897747747804
Energy: 0.5295627611247139
Energy: 0.6003897747742958
Energy: 0.5295627611251986
Energy: 0.600389774772357
Energy: 0.5295627611247139
Energy: 0.6086352221392313
Energy: 0.6028447584033803
Energy: 0.6086352221397159
Energy: 0.6028447584043496
Energy: 0.6086352221382618
Energy: 0.6028447584043496
Energy: 0.5762558618677537
Energy: 0.5986919194286081
Energy: 0.5762558618682384
Energy: 0.5986919194281234
Energy: 0.576255861868723
Energy: 0.5986919194281234
Energy: 0.5550554541198908
Energy: 0.5457020312278423
Energy: 0.5550554541213447
Energy: 0.5457020312268729
Energy: 0.5550554541218294
Energy: 0.5457020312273576
Energy: 0.5605605311624592
Energy: 0.5145861756813547
Energy: 0.5605605311629438
Energy: 0.5145861756813547
Energy: 0.5605605311629438
Energy: 0.5145861756823241
Energy: 0.5629724848717762
Energy: 0.5799052037672817
Energy: 0.5629724848717762
Energy: 0.579905203768251
Energy: 0.5629724848708069
Energy: 0.579905203768251
Energy: 0.5665427836725927
Energy: 0.5221707754325711
Energy: 0.5665427836721081
Energy: 0.5221707754316016
Energy: 0.5665427836735621
Energy: 0.5221707754335404
Energy: 0.5276905858006028
Energy: 0.5817036968259403
Energy: 0.5276905858010875
Energy: 0.5817036968269097
Energy: 0.5276905858006028
Energy: 0.5817036968269097
Energy: 0.5215047341384399
Energy: 0.5506989440367628
Energy: 0.5215047341384399
Energy: 0.5506989440362781
Energy: 0.5215047341389246
Energy: 0.5506989440367628
Energy: 0.5412747850714027
Energy: 0.4828523200893707
Energy: 0.5412747850714027
Energy: 0.4828523152644993
Energy: 0.5412747850704334
Energy: 0.48285230009752683
Energy: 0.48276795065139766
Energy: 0.5017961497402648
Energy: 0.4827679506518824
Energy: 0.501796146239435
Energy: 0.4827679506518824
Energy: 0.5017961366604127
Energy: 0.5216558994410453
Energy: 0.5344615559968766
Energy: 0.5216558994410453
Energy: 0.5344615559968766
Energy: 0.5216558994420147
Energy: 0.5344615559968766
Energy: 0.5246220236099461
Energy: 0.5140872307439409
Energy: 0.5246220236104308
Energy: 0.514087230742487
Energy: 0.5246220236099461
Energy: 0.5140872307439409
Energy: 0.510109627203635
Energy: 0.46267052631825195
Energy: 0.510135206647558
Energy: 0.46289351734754725
Energy: 0.46718256245612855
Energy: 0.39901612421533744
Energy: 0.5438092728411795
Energy: 0.5169515151933898
Energy: 0.5438092728411795
Energy: 0.516951515192905
Energy: 0.5438092728406949
Energy: 0.5169515151924204
Energy: 0.47326610964188376
Energy: 0.5142429313205915
Energy: 0.47326610964188376
Energy: 0.5142429313201069
Energy: 0.47326610964285304
Energy: 0.514242931321561

minimum gb energy = 0.39901612421533744 eV
minimum distance =  2.33431873131431 Angstroms
sigma value = 81


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

Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: 0.7242861569898186
Energy: 0.05321590033743336
Energy: 0.7242861569898186
Energy: 0.05321590033921423
Energy: 0.7242861569880377
Energy: 0.05321590033921423
Energy: 0.7242930596834125
Energy: 0.05321833708411398
Energy: 0.7242930596834125
Energy: 0.05321833708411398
Energy: 0.7242930596834125
Energy: 0.05321833708411398
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: 0.7242861569898186
Energy: 0.0532159003356525
Energy: 0.7242861569880377
Energy: 0.05321590033743336
Energy: 0.7242861569898186
Energy: 0.0532159003356525
Energy: 0.7242930596816316
Energy: 0.05321833708411398
Energy: 0.7242930596816316
Energy: 0.05321833708411398
Energy: 0.7242930596834125
Energy: 0.05321833708411398
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: 0.7242861569880377
Energy: 0.05321590033743336
Energy: 0.7242861569880377
Energy: 0.05321590033743336
Energy: 0.7242861569898186
Energy: 0.05321590033743336
Energy: 0.7242930596816316
Energy: 0.05321833708411398
Energy: 0.7242930596834125
Energy: 0.05321833708411398
Energy: 0.7242930596816316
Energy: 0.05321833708411398
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282
Energy: -0.024144241871737533
Energy: 0.002396553292202282

minimum gb energy = -0.024144241871737533 eV
minimum distance =  2.52412978452758 Angstroms
sigma value = 3


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

Energy: 0.3944223512802527
Energy: 0.3878502194683639
Energy: 0.3944223512797197
Energy: 0.3878502194683639
Energy: 0.39442235127918684
Energy: 0.38785021946783094
Energy: 0.25512636910454023
Energy: 0.3128261753221759
Energy: 0.25512636910454023
Energy: 0.3128261753221759
Energy: 0.2551263691024085
Energy: 0.3128261753221759
Energy: 0.3657087224122711
Energy: 0.31342347862850656
Energy: 0.3657087224122711
Energy: 0.31342347862850656
Energy: 0.365708722398415
Energy: 0.31342347862850656
Energy: 0.3820623297701651
Energy: 0.3295775014497509
Energy: 0.38206232976963217
Energy: 0.32957750070239056
Energy: 0.3820623297701651
Energy: 0.32957749871010783
Energy: 0.31882384635309535
Energy: 0.31450287444928066
Energy: 0.31882384635309535
Energy: 0.31450287444928066
Energy: 0.3188238463520295
Energy: 0.31450287444928066
Energy: 0.36188780199348847
Energy: 0.3242497498161802
Energy: 0.3618878020004166
Energy: 0.3242497498161802
Energy: 0.36188780199668613
Energy: 0.3242497498161802
Energy: 0.33753578410030777
Energy: 0.46090314477864935
Energy: 0.33753578409977486
Energy: 0.46090314477918226
Energy: 0.33753578409977486
Energy: 0.46090314477918226
Energy: 0.3540211344649669
Energy: 0.3126230232273278
Energy: 0.3540211344649669
Energy: 0.3126230232273278
Energy: 0.3540211344649669
Energy: 0.3126230232273278
Energy: 0.37378833683143375
Energy: 0.3358399193919636
Energy: 0.3737883368324996
Energy: 0.3358399193919636
Energy: 0.37378833683090085
Energy: 0.3358399193914307
Energy: 0.3378569272917877
Energy: 0.3096164678175461
Energy: 0.33785692729125477
Energy: 0.3096148294045927
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Energy: 0.30961083153372526
Energy: 0.38445007356465705
Energy: 0.31078264298112485
Energy: 0.38445007356305827
Energy: 0.31078264298112485
Energy: 0.3844500735529326
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Energy: 0.39337072494130876
Energy: 0.3818200529431572
Energy: 0.39337072494237457
Energy: 0.38181986613959484
Energy: 0.39337072493864406
Energy: 0.3818195217630006
Energy: 0.31030564525153026
Energy: 0.28059651415582476
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Energy: 0.28059651415582476
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Energy: 0.28059651415582476
Energy: 0.4482006048251086
Energy: 0.29591494899714116
Energy: 0.44820060482564156
Energy: 0.29591494899714116
Energy: 0.44820060482564156
Energy: 0.2959149489960753
Energy: 0.35139040625259194
Energy: 0.36470250021572426
Energy: 0.35139040625259194
Energy: 0.36470250021465844
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Energy: 0.3647025002119938
Energy: 0.3106699508668861
Energy: 0.32527155898359383
Energy: 0.31066995086741905
Energy: 0.3252715589814621
Energy: 0.3106699508668861
Energy: 0.32527155898359383
Energy: 0.29203755685769955
Energy: 0.4459406004203276
Energy: 0.29203755684171173
Energy: 0.4459406004197947
Energy: 0.292037556824658
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Energy: 0.3187603469329832
Energy: 0.3282916030713269
Energy: 0.3187603469329832
Energy: 0.32829160246189826
Energy: 0.3187603469329832
Energy: 0.32829160092187853
Energy: 0.31044261120527367
Energy: 0.2596560591961454
Energy: 0.31044261120527367
Energy: 0.25965605920254053
Energy: 0.3104426112058067
Energy: 0.2596560591950795
Energy: 0.34381403345303624
Energy: 0.37164425326195455
Energy: 0.3438140334375814
Energy: 0.37164425326248757
Energy: 0.3438140333981446
Energy: 0.3716442532635534
Energy: 0.3107142845004842
Energy: 0.1882623934506623
Energy: 0.3107142844999513
Energy: 0.18826239345012935
Energy: 0.3107142844999513
Energy: 0.18826239345119525
Energy: 0.3123338047371658
Energy: 0.32572192346838436
Energy: 0.3123338047371658
Energy: 0.32572192346838436
Energy: 0.3123338047387646
Energy: 0.3257219234678514
Energy: 0.35958957838736216
Energy: 0.3101534760559184
Energy: 0.35956478950721593
Energy: 0.31015347605698435
Energy: 0.35948110047095244
Energy: 0.3101534760559184
Energy: 0.29628338555076666
Energy: 0.19435328995751497
Energy: 0.2962709735491541
Energy: 0.19435328995858087
Energy: 0.29555949985796287
Energy: 0.19435328995804793
Energy: 0.31078862640836236
Energy: 0.3486119206103888
Energy: 0.31078862640836236
Energy: 0.3486119205991974
Energy: 0.3107886264088954
Energy: 0.3486119205890717
Energy: 0.36980737102311956
Energy: 0.30961706392576116
Energy: 0.36980737102045486
Energy: 0.30961706392576116
Energy: 0.36980737101992195
Energy: 0.30961706392576116
Energy: 0.35591293360511644
Energy: 0.3369207961531891
Energy: 0.3559128844285522
Energy: 0.33692079615372206
Energy: 0.35591277340745725
Energy: 0.3369207961531891
Energy: 0.3379993422458627
Energy: 0.3805641425968162
Energy: 0.3379993422458627
Energy: 0.3805641425957504
Energy: 0.3379993422463957
Energy: 0.3805641425957504
Energy: 0.410945149694529
Energy: 0.30928924416382764
Energy: 0.41094514969399604
Energy: 0.3092892441632947
Energy: 0.41094514969399604
Energy: 0.30928924416382764
Energy: 0.356208402418101
Energy: 0.34003477951504624
Energy: 0.35620840242129853
Energy: 0.3409682903516041
Energy: 0.3562084024138375
Energy: 0.3412423013894672
Energy: 0.3956131864205441
Energy: 0.38753090149373887
Energy: 0.395613154630549
Energy: 0.38753090149373887
Energy: 0.3956130711251157
Energy: 0.38753090149427183
Energy: 0.3741239227540489
Energy: 0.3244141131385747
Energy: 0.3741239227540489
Energy: 0.3244141131385747
Energy: 0.3741239227556477
Energy: 0.32441411313804175
Energy: 0.2979760580463063
Energy: 0.3743502859847368
Energy: 0.29797605804683924
Energy: 0.3743502859815392
Energy: 0.2979760580457733
Energy: 0.3743502859874015

minimum gb energy = 0.18826239345012935 eV
minimum distance =  2.36554463989871 Angstroms
sigma value = 67


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

Energy: 0.3777675900165672
Energy: 0.46103531845216256
Energy: 0.37776759001428906
Energy: 0.4610353184529219
Energy: 0.3777675900150485
Energy: 0.4610353184529219
Energy: 0.4600182034493559
Energy: 0.45309186338862306
Energy: 0.4600182034493559
Energy: 0.45309186338862306
Energy: 0.4600182034493559
Energy: 0.45309186338862306
Energy: 0.5125345391312592
Energy: 0.4541348724230126
Energy: 0.5125345391320186
Energy: 0.45413487242225314
Energy: 0.5125345391320186
Energy: 0.4541348724230126
Energy: 0.4093914552674985
Energy: 0.540057479343644
Energy: 0.4093914552682579
Energy: 0.540057479343644
Energy: 0.4093914552682579
Energy: 0.5400574793421252
Energy: 0.4896260442853607
Energy: 0.46458258297534205
Energy: 0.4896260442853607
Energy: 0.4645825829761014
Energy: 0.48962604428612
Energy: 0.46458258297534205
Energy: 0.5206454716104892
Energy: 0.4651732244530692
Energy: 0.5206454716112486
Energy: 0.4651732244538285
Energy: 0.5206454716120079
Energy: 0.4651732244530692
Energy: 0.35103509695646967
Energy: 0.5305489143540634
Energy: 0.3510350969587478
Energy: 0.5305489143525446
Energy: 0.35103509695722906
Energy: 0.5305489143540634
Energy: 0.5822040133542937
Energy: 0.4314574735433617
Energy: 0.5822040133535343
Energy: 0.4314574735433617
Energy: 0.5822040133542937
Energy: 0.4314574735426024
Energy: 0.5357375442656402
Energy: 0.5344589204935323
Energy: 0.5357375442656402
Energy: 0.5344589204935323
Energy: 0.5357375442633622
Energy: 0.5344589204935323
Energy: 0.46808130652398533
Energy: 0.4948134245679522
Energy: 0.4680813065232259
Energy: 0.4948134245687115
Energy: 0.4680813065232259
Energy: 0.4948134245687115
Energy: 0.5170561904701156
Energy: 0.4653392933619654
Energy: 0.5170561904693562
Energy: 0.4653392933619654
Energy: 0.5170561904716343
Energy: 0.46533929336120605
Energy: 0.46679328165795514
Energy: 0.4915179687810844
Energy: 0.46679328165795514
Energy: 0.4915179687803249
Energy: 0.46679328165871453
Energy: 0.4915179687917155
Energy: 0.46890952373850125
Energy: 0.4719943923988781
Energy: 0.46890952373850125
Energy: 0.4719943923996374
Energy: 0.46890952373850125
Energy: 0.4719943924011561
Energy: 0.5029106872933545
Energy: 0.41409124489585114
Energy: 0.5029106872933545
Energy: 0.4140912448973698
Energy: 0.5029106872925951
Energy: 0.41409124489585114
Energy: 0.417095027363766
Energy: 0.4601374995874437
Energy: 0.4170950273630067
Energy: 0.4601374995882031
Energy: 0.4170950273645255
Energy: 0.4601374995882031
Energy: 0.41167452320838643
Energy: 0.4822503886586544
Energy: 0.41167452320686776
Energy: 0.48225038865789505
Energy: 0.4116745232076271
Energy: 0.48225038865789505
Energy: 0.5314305969454324
Energy: 0.41315644287635117
Energy: 0.5314305969515074
Energy: 0.41315644287635117
Energy: 0.5314305969439138
Energy: 0.41315644287711045
Energy: 0.3913151919938677
Energy: 0.4688314652381244
Energy: 0.39131519199538645
Energy: 0.4688314652388837
Energy: 0.39131519199462705
Energy: 0.4688314652388837
Energy: 0.35108854969992637
Energy: 0.5096102839895384
Energy: 0.3510885497014451
Energy: 0.5096102839902978
Energy: 0.3510885497014451
Energy: 0.5096102839902978
Energy: 0.4720849772411356
Energy: 0.45013633341510073
Energy: 0.47208497724189485
Energy: 0.45013633341586007
Energy: 0.47208497724189485
Energy: 0.45013633341510073
Energy: 0.4651950672116693
Energy: 0.48830668505858954
Energy: 0.4651947249317093
Energy: 0.48830668505858954
Energy: 0.4651941011438765
Energy: 0.48830668505783015
Energy: 0.43874888324597394
Energy: 0.5308753124940571
Energy: 0.4387488832444552
Energy: 0.5308753124864635
Energy: 0.4387488832467334
Energy: 0.5308753124986132
Energy: 0.5002494512844318
Energy: 0.45214934983273114
Energy: 0.5002494512844318
Energy: 0.45214934983273114
Energy: 0.5002494512844318
Energy: 0.45214934983273114

minimum gb energy = 0.35103509695646967 eV
minimum distance =  2.36926753427153 Angstroms
sigma value = 33


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

Energy: 0.4934921154934848
Energy: 0.6058711300963893
Energy: 0.4934921154925213
Energy: 0.6058711300963893
Energy: 0.4934921154939665
Energy: 0.6058711300959075
Energy: 0.5420375382923451
Energy: 0.5037012587088133
Energy: 0.5420375382923451
Energy: 0.5037012587102585
Energy: 0.5420375382923451
Energy: 0.5037012587102585
Energy: 0.5434959743862413
Energy: 0.5019421927501577
Energy: 0.5434959743876865
Energy: 0.5019421927506394
Energy: 0.5434959743881682
Energy: 0.5019421927487125
Energy: 0.5331845658253392
Energy: 0.6556942955423589
Energy: 0.5331845658272661
Energy: 0.6556942955433225
Energy: 0.5331845658243758
Energy: 0.6556942955413956
Energy: 0.6100803185435593
Energy: 0.5051670128049022
Energy: 0.6100803185435593
Energy: 0.5051670128053839
Energy: 0.6100803185435593
Energy: 0.5051670128049022
Energy: 0.5783500420886991
Energy: 0.6805837576691637
Energy: 0.5783493834473172
Energy: 0.6128729619511262
Energy: 0.5783475633746464
Energy: 0.6805837576706089
Energy: 0.4929383282806096
Energy: 0.6405443984448206
Energy: 0.4929383282786827
Energy: 0.6405443984453023
Energy: 0.4929383282786827
Energy: 0.6405443984477108
Energy: 0.6423347378440791
Energy: 0.5911968445902689
Energy: 0.6423347378445609
Energy: 0.5911968445897873
Energy: 0.6423347378440791
Energy: 0.5911968445907506
Energy: 0.5781573481566965
Energy: 0.5966129247899569
Energy: 0.5781573481576601
Energy: 0.5966129247909203
Energy: 0.5781573481566965
Energy: 0.5966129247885118
Energy: 0.14456168610316011
Energy: 0.5966708911848171
Energy: 0.14456168610219663
Energy: 0.5966708911843355
Energy: 0.14456168610075149
Energy: 0.5966708911843355
Energy: 0.6178580105290531
Energy: 0.5051862455907523
Energy: 0.6178580105290531
Energy: 0.5051862455883437
Energy: 0.6178580105280896
Energy: 0.5051862455893071
Energy: 0.5468712479017399
Energy: 0.5859167752488625
Energy: 0.5468712479017399
Energy: 0.5859167752488625
Energy: 0.5468712479012583
Energy: 0.5859167752478992
Energy: 0.1537653506000201
Energy: 0.5431667290791254
Energy: 0.15376535060291047
Energy: 0.5431667290786437
Energy: 0.1537653506000201
Energy: 0.5431667290791254
Energy: 0.5780646762126775
Energy: 0.5045865921131247
Energy: 0.5780646762131593
Energy: 0.5045865921121612
Energy: 0.5780646762126775
Energy: 0.5045865921150516
Energy: 0.5266900520574671
Energy: 0.5672205926498048
Energy: 0.5266900520579488
Energy: 0.5672205926493231
Energy: 0.5266900520584307
Energy: 0.5672205926498048
Energy: 0.4945351553863129
Energy: 0.5772900350587273
Energy: 0.4945351553863129
Energy: 0.5772900350563186
Energy: 0.4945351553843859
Energy: 0.5772900350630629
Energy: 0.6114677178638004
Energy: 0.5035586277211628
Energy: 0.6114677178633188
Energy: 0.5035586277211628
Energy: 0.6114677178623552
Energy: 0.5035586277221261
Energy: 0.5560880711355831
Energy: 0.5988307693897514
Energy: 0.5560880711346196
Energy: 0.598830750962251
Energy: 0.5560880711365463
Energy: 0.598830700773781
Energy: 0.531679282972528
Energy: 0.5999333544936457
Energy: 0.531679282972528
Energy: 0.5999333544098692
Energy: 0.5316792829720463
Energy: 0.5999333541855164
Energy: 0.6409962817561937
Energy: 0.5046381948976868
Energy: 0.6409962817566756
Energy: 0.5046381948972051
Energy: 0.6409962817561937
Energy: 0.5046381948986504
Energy: 0.4936430660414323
Energy: 0.579664706351171
Energy: 0.493643066041914
Energy: 0.5796647063516528
Energy: 0.49364306604046887
Energy: 0.5796647063516528
Energy: 0.5258947173447747
Energy: 0.5972988132688453
Energy: 0.5258947173442929
Energy: 0.5972988132688453
Energy: 0.5258947173457381
Energy: 0.5972988132688453
Energy: 0.6491478074976226
Energy: 0.5048198836502592
Energy: 0.6491478068119516
Energy: 0.5048198836492956
Energy: 0.6491478046104648
Energy: 0.5048198836497775
Energy: 0.13917460012966387
Energy: 0.5790231315253546
Energy: 0.13917460012532834
Energy: 0.5790231315253546
Energy: 0.13917460013110905
Energy: 0.5790231315258363
Energy: 0.5499714040697885
Energy: 0.5613930985492854
Energy: 0.5499714040678616
Energy: 0.5613930985488037
Energy: 0.5499714040697885
Energy: 0.5613930985488037
Energy: 0.7078016720727239
Energy: 0.55872551675235
Energy: 0.7078016720717606
Energy: 0.5587255167528317
Energy: 0.7078016720732058
Energy: 0.5587255167528317
Energy: 0.4930144512996563
Energy: 0.5963234859201475
Energy: 0.49301445129917465
Energy: 0.5963234859201475
Energy: 0.4930144512977294
Energy: 0.5963234859196658
Energy: 0.4944475846530665
Energy: 0.6256630117359652
Energy: 0.4944475846530665
Energy: 0.6256591456965254
Energy: 0.49444758465354816
Energy: 0.625648155331039
Energy: 0.6433045576358337
Energy: 0.5048999529873412
Energy: 0.6433045576363156
Energy: 0.5048999529873412
Energy: 0.6433045576348704
Energy: 0.5048999529863778
Energy: 0.5306417658262015
Energy: 0.6290476384696194
Energy: 0.5306417658257198
Energy: 0.629047638470583
Energy: 0.5306417658257198
Energy: 0.6290476384701011
Energy: 0.5768573190779243
Energy: 0.5966114105756757
Energy: 0.5768565183534475
Energy: 0.5966113864827733
Energy: 0.5768543477256787
Energy: 0.5966113231427514
Energy: 0.6031322743954027
Energy: 0.5046436100047942
Energy: 0.6031322743954027
Energy: 0.5046436100038308
Energy: 0.6031322743958845
Energy: 0.5046436100028673
Energy: 0.5291264889595597
Energy: 0.5751036643901308
Energy: 0.5291264889595597
Energy: 0.5751036643877222
Energy: 0.5291264889585963
Energy: 0.5751036643886857
Energy: 0.5292045829634424
Energy: 0.5033428040929547
Energy: 0.5292045829615155
Energy: 0.503342804092473
Energy: 0.5292045829619972
Energy: 0.5033428040919912
Energy: 0.5805408433452901
Energy: 0.5023662652983572
Energy: 0.5805408433457718
Energy: 0.5023662652983572
Energy: 0.5805408433448083
Energy: 0.5023662652988388
Energy: 0.152141857776573
Energy: 0.5395494451534844
Energy: 0.15214185777609124
Energy: 0.5395494451539661
Energy: 0.1521418577746461
Energy: 0.5395494451544478
Energy: 0.5501539422541759
Energy: 0.534851465657617
Energy: 0.5501539422536943
Energy: 0.5348514656580987
Energy: 0.5501539422536943
Energy: 0.5348514656580987

minimum gb energy = 0.13917460012532834 eV
minimum distance =  2.36627952159759 Angstroms
sigma value = 41


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

Energy: 0.741403880697171
Energy: 0.757868793404114
Energy: 0.741403880697171
Energy: 0.757868793404114
Energy: 0.741403880697171
Energy: 0.757868793404114
Energy: 0.7895320434308136
Energy: 0.7564559447455432
Energy: 0.789532043432129
Energy: 0.7564559447455432
Energy: 0.7895320434308136
Energy: 0.7564559447455432
Energy: 0.830910207732661
Energy: 0.7530075748038112
Energy: 0.830910207732661
Energy: 0.7530075748038112
Energy: 0.8309102077313457
Energy: 0.7530075748038112
Energy: 0.733697381873719
Energy: 0.8441655422561137
Energy: 0.733697381873719
Energy: 0.8441655422561137
Energy: 0.7336973818750343
Energy: 0.8441655422561137
Energy: 0.8278521964149361
Energy: 0.7619182859974257
Energy: 0.8278521964149361
Energy: 0.7619182859974257
Energy: 0.8278521964149361
Energy: 0.7619182859974257
Energy: 0.8505330821833629
Energy: 0.837872032815854
Energy: 0.8505330821833629
Energy: 0.837872032815854
Energy: 0.8505330821833629
Energy: 0.8378720328171693
Energy: 0.7353847659629519
Energy: 0.7975850058717878
Energy: 0.7353847659629519
Energy: 0.7975850058717878
Energy: 0.7353847659629519
Energy: 0.7975850058717878
Energy: 0.7604729427965229
Energy: 0.7563955318530451
Energy: 0.7604729427978382
Energy: 0.7563955318530451
Energy: 0.7604729428004686
Energy: 0.7563955318530451
Energy: 0.7898535815475851
Energy: 0.780435815135708
Energy: 0.7898535815475851
Energy: 0.7804358151370233
Energy: 0.7898535815489004
Energy: 0.780435815135708
Energy: 0.734894196257635
Energy: 0.7928492277805237
Energy: 0.7348941962563198
Energy: 0.7928492277818392
Energy: 0.7348941962563198
Energy: 0.7928492277805237
Energy: 0.7827805053021005
Energy: 0.7544698104978601
Energy: 0.7827805053021005
Energy: 0.7544698104965448
Energy: 0.7827805053021005
Energy: 0.7544698104965448
Energy: 0.7865243579039192
Energy: 0.7555247367251318
Energy: 0.7865243579039192
Energy: 0.7555247367251318
Energy: 0.7865243579039192
Energy: 0.7555247367251318
Energy: 0.7622126008461624
Energy: 0.8436314306444888
Energy: 0.7622126008474776
Energy: 0.8436314306444888
Energy: 0.7622126008474776
Energy: 0.8436314306431734
Energy: 0.826830205605734
Energy: 0.7565960436629551
Energy: 0.826830205605734
Energy: 0.7565960436629551
Energy: 0.8268302056070491
Energy: 0.7565960436616399

minimum gb energy = 0.733697381873719 eV
minimum distance =  2.34947404969248 Angstroms
sigma value = 11


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

Energy: 0.8895699672278143
Energy: 0.9488900137206633
Energy: 0.8895699672272365
Energy: 0.9488900137200856
Energy: 0.889569967226081
Energy: 0.9488900137206633
Energy: 0.926620724266218
Energy: 0.8979427527650792
Energy: 0.9266207242696848
Energy: 0.8979427527668125
Energy: 0.9266207242667959
Energy: 0.8979427527650792
Energy: 1.0292637715754078
Energy: 0.9145063473113468
Energy: 1.0292637715754078
Energy: 0.9145063473113468
Energy: 1.0292637715759854
Energy: 0.9145063473113468
Energy: 0.9213249181839824
Energy: 0.9831271635341613
Energy: 0.9213249181834046
Energy: 0.9831271635347392
Energy: 0.9213249181839824
Energy: 0.9831271635358948
Energy: 0.9885071530831054
Energy: 0.9380680006082365
Energy: 0.9885066692753373
Energy: 0.9380680006007254
Energy: 0.9885051447416119
Energy: 0.9380680006082365
Energy: 0.9104169734949726
Energy: 0.9350865890637123
Energy: 0.910416973494395
Energy: 0.9350865890637123
Energy: 0.9104169734949726
Energy: 0.9350865890648418
Energy: 0.9284995039717339
Energy: 1.020026801013533
Energy: 0.9284995039717339
Energy: 1.0200268010106437
Energy: 0.9284995039717339
Energy: 1.0200268010117994
Energy: 0.9764460193851507
Energy: 0.8982707667951005
Energy: 0.9764460193863064
Energy: 0.8982707667956784
Energy: 0.976446019386884
Energy: 0.8982707667956784
Energy: 0.9913892653357923
Energy: 0.8984049741180563
Energy: 0.9913892653357923
Energy: 0.8984049741186342
Energy: 0.9913892653352144
Energy: 0.8984049741180563
Energy: 0.9272478695836464
Energy: 0.9846429014538982
Energy: 0.9272478695836464
Energy: 0.9846429013389707
Energy: 0.9272478695830686
Energy: 0.9846429010346069
Energy: 0.947719320226643
Energy: 0.9381674944007161
Energy: 0.947719320223754
Energy: 0.9381674944001385
Energy: 0.9477193202254874
Energy: 0.9381674944001385
Energy: 0.9686300427178933
Energy: 0.932894788046891
Energy: 0.9686300427178933
Energy: 0.932894788046891
Energy: 0.968630042718471
Energy: 0.9328947880526688
Energy: 0.9255709294530109
Energy: 0.9512818786422365
Energy: 0.9255709294530109
Energy: 0.9512818786433921
Energy: 0.9255709294524331
Energy: 0.9512818786410809
Energy: 1.0309931488211381
Energy: 0.8903281798205682
Energy: 1.0309931488205604
Energy: 0.8903281798205682
Energy: 1.0309931488199824
Energy: 0.890328179821146
Energy: 0.9727427398468632
Energy: 0.9182009529096361
Energy: 0.9727427398468632
Energy: 0.9182009529090585
Energy: 0.9727427398485702
Energy: 0.9182009529107917
Energy: 0.9258041151897789
Energy: 0.9709136280156474
Energy: 0.9258041151961346
Energy: 0.9709136280017804
Energy: 0.9258041151886235
Energy: 0.970913627983869
Energy: 0.9729032000976541
Energy: 0.9163093917060346
Energy: 0.9729032000959207
Energy: 0.9163093917060346
Energy: 0.9729032000913246
Energy: 0.9163093917060346
Energy: 0.9658241553854886
Energy: 0.9703116138900634
Energy: 0.9658241553849106
Energy: 0.9703116138900634
Energy: 0.9658241553860664
Energy: 0.9703116138906412
Energy: 0.9243272460307557
Energy: 0.9565897617123277
Energy: 0.9243272460313333
Energy: 0.9565897617134833
Energy: 0.924327246032489
Energy: 0.9565897617123277
Energy: 1.0312284439479493
Energy: 0.9337017688746215
Energy: 1.0312284439467938
Energy: 0.9337017688740438
Energy: 1.0312284439479493
Energy: 0.9337017688740438
Energy: 0.9117897195510904
Energy: 0.9719049549904395
Energy: 0.9117897195510904
Energy: 0.9719049549904395
Energy: 0.9117897195505128
Energy: 0.9719049549904395
Energy: 0.8977086318755704
Energy: 1.0229812635746753
Energy: 0.8977086318749925
Energy: 1.0229812635735198
Energy: 0.8977086318761481
Energy: 1.0229812635735198
Energy: 0.9974061610532508
Energy: 0.9164274927310384
Energy: 0.9974061610532508
Energy: 0.9164274927304605
Energy: 0.9974061610532508
Energy: 0.9164274927252604
Energy: 0.9886625516454252
Energy: 0.8979360233835878
Energy: 0.988662551646003
Energy: 0.8979360233841654
Energy: 0.988662551646003
Energy: 0.8979360233835878
Energy: 0.9262267419312223
Energy: 0.980497856321664
Energy: 0.9262267419312223
Energy: 0.980497856316464
Energy: 0.9262267419312223
Energy: 0.9804978563210861
Energy: 0.995691957503513
Energy: 0.9317014718164959
Energy: 0.995691957503513
Energy: 0.9317014718164959
Energy: 0.995691957503513
Energy: 0.931701471815918
Energy: 0.920920279447276
Energy: 1.0397370028243735
Energy: 0.9209202794478538
Energy: 1.0397370028249515
Energy: 0.9209202794478538
Energy: 1.0397370028232178
Energy: 0.884402164066045
Energy: 0.9597118518756149
Energy: 0.8844021640666228
Energy: 0.9597118518756149
Energy: 0.884402164066045
Energy: 0.9597118518761928
Energy: 0.9870023044889376
Energy: 0.9092319925314063
Energy: 0.9870023044883599
Energy: 0.9092319925360287
Energy: 0.9870023044872306
Energy: 0.9092319925325618
Energy: 0.9376433818482377
Energy: 0.9181426134479379
Energy: 0.9376433818482377
Energy: 0.91814261344736
Energy: 0.93764338184766
Energy: 0.9181426134479379
Energy: 0.925053231155076
Energy: 1.0249900927362214
Energy: 0.925053231155076
Energy: 1.024990092736799
Energy: 0.9250532311556539
Energy: 1.024990092736799

minimum gb energy = 0.884402164066045 eV
minimum distance =  2.26720670961064 Angstroms
sigma value = 57


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

Energy: 1.001661324292556
Energy: 1.1605301216148072
Energy: 1.001661324292556
Energy: 1.1605301216148072
Energy: 1.0016613242915282
Energy: 1.1605301216137787
Energy: 0.9961943037775495
Energy: 1.034101383288321
Energy: 0.9961943037785778
Energy: 1.034101383288321
Energy: 0.9961943037785778
Energy: 1.034101383288321
Energy: 1.159627037042716
Energy: 1.0476510097873186
Energy: 1.1596270370447723
Energy: 1.0476510097873186
Energy: 1.159627037043744
Energy: 1.0476510097873186
Energy: 0.9940390828305443
Energy: 1.0729756617616457
Energy: 0.9940390828305443
Energy: 1.0729756617616457
Energy: 0.9940390828305443
Energy: 1.0775276039503807
Energy: 1.1594911738512061
Energy: 1.0476451967688787
Energy: 1.1594911738501776
Energy: 1.0476451967688787
Energy: 1.1594911738512061
Energy: 1.0476451967678504
Energy: 0.9962458439071611
Energy: 1.03146110084866
Energy: 0.9962458439061328
Energy: 1.031461100847632
Energy: 0.9962458439071611
Energy: 1.031461100847632
Energy: 1.001661324292556
Energy: 1.1605301216137787
Energy: 1.0016613242915282
Energy: 1.1605301216127972
Energy: 1.0016613242915282
Energy: 1.1605301216127972
Energy: 0.9961943037775495
Energy: 1.034101383289349
Energy: 0.9961943037775495
Energy: 1.034101383288321
Energy: 0.9961943037785778
Energy: 1.034101383289349
Energy: 1.159627037042716
Energy: 1.0476510097873186
Energy: 1.159627037043744
Energy: 1.0476510097873186
Energy: 1.1596270370447723
Energy: 1.0476510097873186
Energy: 0.9940390828315725
Energy: 1.1119070878760413
Energy: 0.9940390828315725
Energy: 1.1119070878760413
Energy: 0.9940390828315725
Energy: 1.140652709266327
Energy: 1.1594911738512061
Energy: 1.0476451967688787
Energy: 1.1594911738501776
Energy: 1.0476451967688787
Energy: 1.1594911738512061
Energy: 1.0476451967688787
Energy: 0.9962458439071611
Energy: 1.0314611008507164
Energy: 0.9962458439071611
Energy: 1.0314611008496883
Energy: 0.996245843908189
Energy: 1.0314611008496883
Energy: 1.0016613242935843
Energy: 1.1605301216148072
Energy: 1.001661324292556
Energy: 1.1605301216148072
Energy: 1.001661324292556
Energy: 1.1605301216137787
Energy: 0.9961943037775495
Energy: 1.034101383288321
Energy: 0.9961943037775495
Energy: 1.034101383288321
Energy: 0.9961943037785778
Energy: 1.034101383288321
Energy: 1.159627037043744
Energy: 1.047651009788347
Energy: 1.159627037043744
Energy: 1.0476510097873186
Energy: 1.1596270370447723
Energy: 1.047651009788347
Energy: 0.9940390828305443
Energy: 1.1119070878760413
Energy: 0.9940390828305443
Energy: 1.1119070878760413
Energy: 0.9940390828305443
Energy: 1.1214696200306327
Energy: 1.1594911738512061
Energy: 1.0476451967688787
Energy: 1.1594911738501776
Energy: 1.0476451967688787
Energy: 1.1594911738512061
Energy: 1.0476451967688787

minimum gb energy = 0.9940390828305443 eV
minimum distance =  2.31355668599283 Angstroms
sigma value = 9


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

Energy: 1.0939926645381595
Energy: 1.0232091540596804
Energy: 1.0939926645381595
Energy: 1.02320915406052
Energy: 1.0939926645381595
Energy: 1.023209154058841
Energy: 1.0495499722809778
Energy: 1.0507468858220563
Energy: 1.0495499722801382
Energy: 1.0507468858228957
Energy: 1.049549972284336
Energy: 1.0507468858228957
Energy: 1.0950211849627518
Energy: 1.0163322104978325
Energy: 1.095021184961073
Energy: 1.0163322104961534
Energy: 1.0950211849635914
Energy: 1.0163322104969932
Energy: 1.0169143597647974
Energy: 1.1053624043963388
Energy: 1.0169143597647974
Energy: 1.1053624043954993
Energy: 1.0169143597647974
Energy: 1.1053624043954993
Energy: 1.0707966737410608
Energy: 1.0086943342558314
Energy: 1.0707966737402212
Energy: 1.0086943336692824
Energy: 1.0707966737402212
Energy: 1.0086943325439977
Energy: 1.094925711344455
Energy: 1.0222851473991978
Energy: 1.094925711344455
Energy: 1.0222851473983583
Energy: 1.0949257113436153
Energy: 1.0222851473991978
Energy: 1.0141759596803614
Energy: 1.1279844948572921
Energy: 1.0141759596803614
Energy: 1.1279844948572921
Energy: 1.0141759596812008
Energy: 1.1279844948572921
Energy: 1.0096659629189004
Energy: 1.0959579312880565
Energy: 1.00966596291974
Energy: 1.0959579312880565
Energy: 1.0096659629172215
Energy: 1.0959579312872172
Energy: 1.1232152331600773
Energy: 1.0687245298446424
Energy: 1.1232152331600773
Energy: 1.0687245298446424
Energy: 1.123215233159238
Energy: 1.068724529845482
Energy: 1.0162494247917297
Energy: 1.0644055815463382
Energy: 1.0162494247908904
Energy: 1.064405581547178
Energy: 1.0162494247908904
Energy: 1.0644055815463382
Energy: 1.1031903650237733
Energy: 1.0503775279252094
Energy: 1.0959996791977829
Energy: 1.0503775279252094
Energy: 1.0959996791977829
Energy: 1.05037752792437
Energy: 1.1622644889277614
Energy: 1.022882694389322
Energy: 1.1622644888471685
Energy: 1.0228826943901612
Energy: 1.1622644886751456
Energy: 1.0228826943901612
Energy: 1.0198723196521247
Energy: 1.1134806592403772
Energy: 1.0198723196521247
Energy: 1.113480659238698
Energy: 1.019872319652964
Energy: 1.1134806592395377
Energy: 1.092107521545327
Energy: 1.1139878627598014
Energy: 1.092107521545327
Energy: 1.1139878627589619
Energy: 1.092107521545327
Energy: 1.1139878627589619
Energy: 1.176538616088588
Energy: 1.0212151418106445
Energy: 1.1765386160894278
Energy: 1.0212151418098052
Energy: 1.176538616088588
Energy: 1.0212151418106445
Energy: 1.013923499886251
Energy: 1.1337870367669698
Energy: 1.0139234988683854
Energy: 1.1337870367686487
Energy: 1.0139234957912826
Energy: 1.1337870367686487
Energy: 1.0742176943932726
Energy: 1.0997870239465002
Energy: 1.0742176943932726
Energy: 1.0997870239465002
Energy: 1.074217694394952
Energy: 1.0997870239465002
Energy: 1.2684064320889343
Energy: 1.0221983580979963
Energy: 1.268406432083058
Energy: 1.0221983580979963
Energy: 1.2684064320822184
Energy: 1.0221983580979963
Energy: 1.0152298791050347
Energy: 1.0931564730350776
Energy: 1.0152298791050347
Energy: 1.093156473034238
Energy: 1.0152298791050347
Energy: 1.093156473034238
Energy: 1.0572971222293523
Energy: 1.0202559877866424
Energy: 1.0572971222293523
Energy: 1.020255987785803
Energy: 1.057297122228513
Energy: 1.0202559877866424
Energy: 1.135143222044016
Energy: 1.1370575571403443
Energy: 1.135143222044016
Energy: 1.137057557139505
Energy: 1.1351432220456952
Energy: 1.1370575571403443

minimum gb energy = 1.0086943325439977 eV
minimum distance =  2.2953191655609 Angstroms
sigma value = 27


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

Energy: 1.1009620543750755
Energy: 1.02734547752931
Energy: 1.1009620541678
Energy: 1.0273454775328479
Energy: 1.1009620534986904
Energy: 1.0273454775257715
Energy: 1.1867390042652728
Energy: 1.0639247862768626
Energy: 1.1867390042652728
Energy: 1.063924786276155
Energy: 1.1867390042659802
Energy: 1.063924786276155
Energy: 1.0435104140956661
Energy: 1.0754359100293622
Energy: 1.0435104140956661
Energy: 1.0754359100286544
Energy: 1.0435104140956661
Energy: 1.0754359100293622
Energy: 1.0686736247370927
Energy: 1.053991919593057
Energy: 1.068673624736385
Energy: 1.0539919195923493
Energy: 1.068673624730756
Energy: 1.053991919593057
Energy: 1.056343294147153
Energy: 1.1424180396498063
Energy: 1.0563432941457376
Energy: 1.1424180396498063
Energy: 1.0563432941457376
Energy: 1.142418039650514
Energy: 1.0775149113791733
Energy: 1.1001520504994056
Energy: 1.0775149094849383
Energy: 1.1001520504986977
Energy: 1.077514904354678
Energy: 1.100152050500113
Energy: 1.0734480065249254
Energy: 1.1556831003909276
Energy: 1.0734480065242178
Energy: 1.155683100392343
Energy: 1.0734480065249254
Energy: 1.1556831003909276
Energy: 1.097388385266806
Energy: 1.1230454435397168
Energy: 1.0973883852675137
Energy: 1.1230454435404245
Energy: 1.0973883852675137
Energy: 1.1230454435404245
Energy: 1.1377590534641528
Energy: 1.0636908036238302
Energy: 1.1377590534634454
Energy: 1.0636908036238302
Energy: 1.1377590534634454
Energy: 1.0636908036231223
Energy: 1.0834438810074876
Energy: 1.053483244027864
Energy: 1.083443881008195
Energy: 1.053483244027864
Energy: 1.0834438810074876
Energy: 1.053483244027864
Energy: 1.080833518729864
Energy: 1.032508533578446
Energy: 1.0808335187291565
Energy: 1.0325085335777382
Energy: 1.0808335187270335
Energy: 1.032508533578446
Energy: 1.0579651862932717
Energy: 1.0653145125054384
Energy: 1.057965186294687
Energy: 1.0653145125054384
Energy: 1.0579651862925643
Energy: 1.0653145125054384
Energy: 1.119095927575603
Energy: 1.066155925353089
Energy: 1.119095927575603
Energy: 1.066155925353089
Energy: 1.1190959275763104
Energy: 1.066155925353089
Energy: 1.0740042314197265
Energy: 1.1383527175153547
Energy: 1.0740042314197265
Energy: 1.138352717514647
Energy: 1.0740042314197265
Energy: 1.1383527175153547
Energy: 1.095726385356657
Energy: 1.1000076651032737
Energy: 1.095726385356657
Energy: 1.1000076651032737
Energy: 1.0957263853573649
Energy: 1.1000076651046888
Energy: 1.064411896140238
Energy: 1.1412520371487833
Energy: 1.0644118961409457
Energy: 1.1412520371480757
Energy: 1.064411896140238
Energy: 1.1412520371480757
Energy: 1.066770188253667
Energy: 1.085815034028059
Energy: 1.0667701882529594
Energy: 1.085815034028059
Energy: 1.0667701882522518
Energy: 1.085815034028059
Energy: 1.0735351932212014
Energy: 1.074797095391099
Energy: 1.0735351932212014
Energy: 1.074797095391099
Energy: 1.073535193221909
Energy: 1.074797095391099
Energy: 1.1045749671018523
Energy: 1.0668397414110118
Energy: 1.104574967103975
Energy: 1.0668397414110118
Energy: 1.1045749671053902
Energy: 1.0668397414117197
Energy: 1.1009620543658762
Energy: 1.0273454775328479
Energy: 1.100962054174169
Energy: 1.0273454775286022
Energy: 1.1009620535113958
Energy: 1.0273454775278945
Energy: 1.1867390042638575
Energy: 1.063924786276155
Energy: 1.1867390042645651
Energy: 1.0639247862768626
Energy: 1.1867390042645651
Energy: 1.063924786276155
Energy: 1.0435104140949585
Energy: 1.0754359100300699
Energy: 1.0435104140949585
Energy: 1.0754359100300699
Energy: 1.0435104140963736
Energy: 1.0754359100293622
Energy: 1.068673624736385
Energy: 1.053991919593057
Energy: 1.0686736247392157
Energy: 1.0539919195944722
Energy: 1.068673624738508
Energy: 1.0539919195937646
Energy: 1.056343294147153
Energy: 1.142418039648391
Energy: 1.05634329414503
Energy: 1.1424180396490988
Energy: 1.056343294147153
Energy: 1.1424180396498063
Energy: 1.0775149113671438
Energy: 1.1001520504979903
Energy: 1.0775149097240257
Energy: 1.1001520504979903
Energy: 1.0775149049545028
Energy: 1.1001520504994056

minimum gb energy = 1.0273454775257715 eV
minimum distance =  2.29780393389056 Angstroms
sigma value = 19


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

Energy: 1.1497180938277896
Energy: 1.1011535542656676
Energy: 1.1497180938271785
Energy: 1.1011535542650568
Energy: 1.149718093833287
Energy: 1.1011535542650568
Energy: 1.0374475746259493
Energy: 1.038901757935877
Energy: 1.0374475746241167
Energy: 1.038901757935877
Energy: 1.0374475746259493
Energy: 1.038901757935877
Energy: 1.1125127500085694
Energy: 1.02279973136179
Energy: 1.1125127500055152
Energy: 1.02279973136179
Energy: 1.1125127500085694
Energy: 1.02279973136179
Energy: 1.0415899719059805
Energy: 1.0165099150884822
Energy: 1.0415899719035373
Energy: 1.0165099150897041
Energy: 1.0415899719047588
Energy: 1.0165099150878716
Energy: 1.0227133959754553
Energy: 1.0313419297138957
Energy: 1.0227133959754553
Energy: 1.0313419297145066
Energy: 1.0227133959748445
Energy: 1.0313419297138957
Energy: 1.0132016023114083
Energy: 1.0241453091063968
Energy: 1.0132016023107977
Energy: 1.0241453091063968
Energy: 1.0132016023114083
Energy: 1.0241453091070076
Energy: 1.0243418451837951
Energy: 1.048207998821179
Energy: 1.0243418451837951
Energy: 1.048207998821179
Energy: 1.024341845183184
Energy: 1.04820799882179
Energy: 1.0383332753163357
Energy: 1.0590505381407083
Energy: 1.0383332753175574
Energy: 1.0590505381407083
Energy: 1.0383332753169463
Energy: 1.0590505381400974
Energy: 1.0545545376172032
Energy: 1.0839883287592569
Energy: 1.0545545375946022
Energy: 1.0839883287592569
Energy: 1.054554537539655
Energy: 1.0839883287592569
Energy: 1.033306951948883
Energy: 1.0182653218801607
Energy: 1.033306951947661
Energy: 1.0182653218795499
Energy: 1.033306951947661
Energy: 1.0182653218807716
Energy: 1.029641278581257
Energy: 1.0810425647696915
Energy: 1.029641278581257
Energy: 1.0810425647703026
Energy: 1.029641278581257
Energy: 1.081042564769081
Energy: 1.0409864768228723
Energy: 1.0243805183098231
Energy: 1.0409864768228723
Energy: 1.0243805183098231
Energy: 1.040986476823483
Energy: 1.0243805183098231
Energy: 1.005881346607425
Energy: 1.0324306812432338
Energy: 1.0058813466062033
Energy: 1.0324306812432338
Energy: 1.0058813466068142
Energy: 1.0324306812438448
Energy: 1.0264573462942708
Energy: 0.9960888264100498
Energy: 1.0264573462906057
Energy: 0.9960888264100498
Energy: 1.0264573462899949
Energy: 0.9960888264106607
Energy: 1.0311873078305354
Energy: 1.026714607533411
Energy: 1.0311873078311464
Energy: 1.026714607533411
Energy: 1.0311873078305354
Energy: 1.026714607533411
Energy: 1.098572484596046
Energy: 1.0281591642635364
Energy: 1.0985724845954354
Energy: 1.0281591642629255
Energy: 1.0985724845942137
Energy: 1.0281591642623147
Energy: 1.0454786927232378
Energy: 1.0588091245903288
Energy: 1.0454786927238484
Energy: 1.0588091245903288
Energy: 1.0454786927238484
Energy: 1.0588091245897182
Energy: 1.0597688384083066
Energy: 1.0403693099677733
Energy: 1.0597688384083066
Energy: 1.040369309965941
Energy: 1.0597688384083066
Energy: 1.0403693099696059
Energy: 1.0262091981968164
Energy: 1.0311682416804877
Energy: 1.0262091981968164
Energy: 1.0311682416804877
Energy: 1.0262091981968164
Energy: 1.0311682416804877
Energy: 1.0140441665240272
Energy: 0.977409718100865
Energy: 1.0140441665240272
Energy: 0.9774097181020867
Energy: 1.0140441665246382
Energy: 0.9774097181002543
Energy: 1.036000690294296
Energy: 1.0535801799015343
Energy: 1.036000690294296
Energy: 1.0535801799015343
Energy: 1.036000690295518
Energy: 1.053580179900313
Energy: 1.0880965017122066
Energy: 1.0334687257602808
Energy: 1.0880964968863287
Energy: 1.0334687257602808
Energy: 1.0880964788650374
Energy: 1.0334687257608914
Energy: 1.039129015737823
Energy: 1.037348582979717
Energy: 1.0391290157384339
Energy: 1.0373485829827436
Energy: 1.0391290157384339
Energy: 1.037348582982133
Energy: 1.0394003377110996
Energy: 1.0400150330027444
Energy: 1.039400337709878
Energy: 1.0400150330033553
Energy: 1.039400337712321
Energy: 1.0400150330033553
Energy: 0.9732791380678042
Energy: 1.0354555057643062
Energy: 0.973279138068415
Energy: 1.0354555057661112
Energy: 0.9732791380696365
Energy: 1.035455505764917
Energy: 1.0242355443223286
Energy: 1.0420596031965206
Energy: 1.0242355443229392
Energy: 1.042059603195299
Energy: 1.0242355443229392
Energy: 1.042059603195299
Energy: 1.0244463791949487
Energy: 1.019547378890351
Energy: 1.0244463791943377
Energy: 1.0195473788897402
Energy: 1.0244463791937268
Energy: 1.0195473788891294
Energy: 1.0029549034814378
Energy: 1.030981687015414
Energy: 1.002954903480216
Energy: 1.0309816870209112
Energy: 1.0029549034820489
Energy: 1.030981687018468
Energy: 1.0388106908678012
Energy: 1.031352158384297
Energy: 1.0388106908671904
Energy: 1.0313521583849077
Energy: 1.0388106908665797
Energy: 1.0313521583836862

minimum gb energy = 0.9732791380678042 eV
minimum distance =  2.27585313643531 Angstroms
sigma value = 101


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

Energy: 1.0986845042485827
Energy: 0.9715056591012241
Energy: 1.0986845042485827
Energy: 0.9715056591012241
Energy: 1.0986845042496565
Energy: 0.971505659101761
Energy: 1.0088659402027227
Energy: 1.0228212627524622
Energy: 1.0088659402016487
Energy: 1.022821262751925
Energy: 1.008865940200038
Energy: 1.022821262751925
Energy: 0.9917070962664499
Energy: 1.020780272705633
Energy: 0.9917070962669869
Energy: 1.020780272704022
Energy: 0.9917070962664499
Energy: 1.020780272705096
Energy: 1.0093966753639558
Energy: 1.0233275816680645
Energy: 1.0093966753634191
Energy: 1.0233275816680645
Energy: 1.0093966753639558
Energy: 1.0233275816691385
Energy: 1.0095803648561827
Energy: 0.9941400050542565
Energy: 1.009580364854572
Energy: 0.9941400050542565
Energy: 1.009580364855646
Energy: 0.9941400050553304
Energy: 0.9572881012719944
Energy: 1.0344753147881474
Energy: 0.9572881012714574
Energy: 1.0344753147886845
Energy: 0.9572881012709203
Energy: 1.0344753147881474
Energy: 1.0212229029964208
Energy: 1.0128002283683943
Energy: 1.0212229029969577
Energy: 1.0128002283683943
Energy: 1.0212229029958837
Energy: 1.0128002283673208
Energy: 1.0155891070741507
Energy: 1.0370979803049716
Energy: 1.0155891070725396
Energy: 1.0370979803033606
Energy: 1.0155891070741507
Energy: 1.0370979803033606
Energy: 0.9589663210643491
Energy: 1.0209817027500936
Energy: 0.9589663210643491
Energy: 1.0209817027484829
Energy: 0.9589663210638121
Energy: 1.0209817027484829
Energy: 1.0130667894786558
Energy: 1.0045976778368322
Energy: 1.0130667894775818
Energy: 1.0045976778384431
Energy: 1.0130667894797298
Energy: 1.0045976778362953
Energy: 1.0247610766006416
Energy: 1.182384229067469
Energy: 1.0247610766006416
Energy: 1.1823842290696167
Energy: 1.0247610766006416
Energy: 1.1823842290706907
Energy: 1.0087022527261444
Energy: 1.0241159957192547
Energy: 1.0087022527266813
Energy: 1.0241159957187176
Energy: 1.0087022527282923
Energy: 1.0241159957176438
Energy: 0.948378893316783
Energy: 1.0157800072291352
Energy: 0.9483788933173198
Energy: 1.0157800072291352
Energy: 0.948378893315709
Energy: 1.0157800072296723
Energy: 1.0124036883708534
Energy: 1.0430701983518171
Energy: 1.0124036883719274
Energy: 1.043070198352891
Energy: 1.0124036883713903
Energy: 1.043070198352891
Energy: 1.0024154275995218
Energy: 0.9917303843533462
Energy: 1.002415427598985
Energy: 0.9917303843522722
Energy: 1.0024154275995218
Energy: 0.9917303843538832
Energy: 1.0074864709527154
Energy: 1.0275778210398487
Energy: 1.0074864709521785
Energy: 1.0275778210398487
Energy: 1.0074864709532523
Energy: 1.0275778210398487
Energy: 1.0185088295727824
Energy: 0.8041716805560215
Energy: 1.0185088295722455
Energy: 0.8047129948978301
Energy: 1.0185088295727824
Energy: 0.8968661499231092
Energy: 1.0147762013501769
Energy: 0.9448219665999241
Energy: 1.0147762013501769
Energy: 0.9448219665988502
Energy: 1.0147762013501769
Energy: 0.9448219665977763
Energy: 0.9555977518040589
Energy: 1.0202799988819267
Energy: 0.9555977518051328
Energy: 1.0202799988813898
Energy: 0.9555977518062069
Energy: 1.0202799988813898
Energy: 1.0189586492119023
Energy: 0.9703332664413675
Energy: 1.0189586492113654
Energy: 0.9703332664402936
Energy: 1.0189586492108282
Energy: 0.9703332664397567
Energy: 1.0199561412461757
Energy: 1.1214419666607434
Energy: 1.0199561412456388
Energy: 1.121441966662354
Energy: 1.0199561412456388
Energy: 1.1214419666607434
Energy: 0.9901428834759319
Energy: 1.0241519200812244
Energy: 0.9901428834770057
Energy: 1.0241519200806872
Energy: 0.9901428834759319
Energy: 1.024151920082298
Energy: 1.0127603858043417
Energy: 1.0122243844206216
Energy: 1.0127603858043417
Energy: 1.0122243844206216
Energy: 1.0127603858048786
Energy: 1.0122243844200849
Energy: 1.0093962449170368
Energy: 1.1558450441525687
Energy: 1.0093962449181109
Energy: 1.1558450441514951
Energy: 1.009396244917574
Energy: 1.1558450441514951
Energy: 1.018566123316572
Energy: 0.9931411594075739
Energy: 1.0185661233171088
Energy: 0.9931411594086478
Energy: 1.018566123316572
Energy: 0.9931411594075739
Energy: 0.9486248043585401
Energy: 1.025904032902179
Energy: 0.9486248043606877
Energy: 1.025904032902179
Energy: 0.9486248043585401
Energy: 1.025904032902179
Energy: 1.0075583844461058
Energy: 1.0215408011988387
Energy: 1.0075583844455689
Energy: 1.0215408011988387
Energy: 1.0075583844461058
Energy: 1.021540801199376
Energy: 1.013440189139881
Energy: 0.9471681338734558
Energy: 1.0134401891404183
Energy: 0.9471681338723819
Energy: 1.013440189139881
Energy: 0.9471681338723819
Energy: 1.156509092883893
Energy: 1.011012463139269
Energy: 1.1565090928833557
Energy: 1.011012463139806
Energy: 1.156509092883893
Energy: 1.011012463141417
Energy: 1.0137741538398701
Energy: 0.9925884688226516
Energy: 1.0137741538398701
Energy: 0.9925884688231885
Energy: 1.0137741538393334
Energy: 0.9925884688237253
Energy: 1.0194358843426508
Energy: 0.9769691195861724
Energy: 1.0194358843431877
Energy: 0.9769691195850985
Energy: 1.019435884342114
Energy: 0.9769691195845615
Energy: 1.012088530888809
Energy: 1.0259404067154319
Energy: 1.0120885308866614
Energy: 1.025940406714895
Energy: 1.0120885308861245
Energy: 1.025940406714895
Energy: 1.0123339732471048
Energy: 1.011494031340844
Energy: 1.0123339732492525
Energy: 1.0114940313424547
Energy: 1.0123339732481786
Energy: 1.0114940313429919

minimum gb energy = 0.8041716805560215 eV
minimum distance =  2.29102711010156 Angstroms
sigma value = 33


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

Energy: 0.018682401144765323
Energy: 0.709628302098219
Energy: 0.018682401144765323
Energy: 0.7096283020986652
Energy: 0.018682401144765323
Energy: 0.709628302098219
Energy: 0.019503636516524196
Energy: -0.5425801660383951
Energy: 0.019503636516524196
Energy: -0.5425801660375028
Energy: 0.019503636516524196
Energy: -0.5425801660383951
Energy: 0.710292326681355
Energy: -0.5426369677630426
Energy: 0.7103055372628261
Energy: -0.5426369677625965
Energy: 0.7103001889908058
Energy: -0.5426369677625965
Energy: 0.019503636516524196
Energy: -0.542580166037949
Energy: 0.019503636516524196
Energy: -0.5425801660383951
Energy: 0.019503636516524196
Energy: -0.5425801660375028

minimum gb energy = -0.5426369677630426 eV
minimum distance =  2.45663464891712 Angstroms
sigma value = 1