Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_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=4.246784727106969
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: 0.016508656815184236
Energy: 1.2763891156382123
Energy: 0.016508656815184236
Energy: 1.2763891156385276
Energy: 0.016508656815184236
Energy: 1.2763891156378968
Energy: 1.2763891156382123
Energy: 0.016590356201826816
Energy: 1.2763891156385276
Energy: 0.016590356202422694
Energy: 1.2763891156385276
Energy: 0.01659035620214228
Energy: 0.016508656815184236
Energy: 1.2763891156382123
Energy: 0.016508656815184236
Energy: 1.2763891156385276
Energy: 0.016508656815184236
Energy: 1.2763891156378968
Energy: 1.2763891156385276
Energy: 0.016590356201826816
Energy: 1.2763891156385276
Energy: 0.016590356201826816
Energy: 1.2763891156385276
Energy: 0.01659035620214228
Energy: 0.016508656815184236
Energy: 1.2763891156385276
Energy: 0.016508656815184236
Energy: 1.2763891156385276
Energy: 0.016508656815184236
Energy: 1.2763891156378968
Energy: 1.2763891156378968
Energy: 0.016590356201826816
Energy: 1.2763891156378968
Energy: 0.016590356201511346
Energy: 1.2763891156382123
Energy: 0.016590356201826816

minimum gb energy = 0.016508656815184236 eV
minimum distance =  2.54750236365003 Angstroms
sigma value = 1


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

Energy: 1.1776647800990494
Energy: 1.03291096732825
Energy: 1.17766478009829
Energy: 1.03291096732825
Energy: 1.17766478009829
Energy: 1.032910967329009
Energy: 1.3616558518885697
Energy: 0.9319027642747957
Energy: 1.3616558518908477
Energy: 0.9319027642763144
Energy: 1.3616558518900883
Energy: 0.9319027642747957
Energy: 1.0732602380615317
Energy: 1.085595690851604
Energy: 1.0732602380607723
Energy: 1.0855954654844584
Energy: 1.0732602380615317
Energy: 1.085595151960913
Energy: 1.2060542449694618
Energy: 1.0108689355930507
Energy: 1.2060542449687026
Energy: 1.0108689355938099
Energy: 1.2060542449702214
Energy: 1.0108689355930507
Energy: 1.0803736684780967
Energy: 1.1516822382810423
Energy: 1.080373668476578
Energy: 1.1516822382818017
Energy: 1.0803736684758185
Energy: 1.1516822382818017
Energy: 1.1213635169810472
Energy: 0.9906225960438167
Energy: 1.1213635169818066
Energy: 0.9906225960453355
Energy: 1.1213635169825658
Energy: 0.9906225960445763
Energy: 1.0756514839730957
Energy: 1.1472782941064765
Energy: 1.0756514835594495
Energy: 1.147278294076102
Energy: 1.075651482436834
Energy: 1.1472782939796626
Energy: 1.011034748638616
Energy: 1.2449731878800119
Energy: 1.0110347486393751
Energy: 1.2449731878792525
Energy: 1.0110347486378564
Energy: 1.2449731878800119
Energy: 1.1471849126000602
Energy: 1.1497253084400405
Energy: 1.1471849125993008
Energy: 1.1497253084423182
Energy: 1.1471849125993008
Energy: 1.1497253084423182
Energy: 0.9300942461454409
Energy: 1.2294544546085722
Energy: 0.9300942461454409
Energy: 0.6269969760931601
Energy: 0.9300942461454409
Energy: 0.626720568472101
Energy: 1.1118332232570611
Energy: 0.9960861002522126
Energy: 0.6326242919017837
Energy: 0.9960861002514532
Energy: 0.6327204564283878
Energy: 0.9960861002522126
Energy: 0.8815734920958942
Energy: 1.1116914854899567
Energy: 0.8815734920966535
Energy: 1.111668354366951
Energy: 0.8815734920966535
Energy: 0.6656472479993774
Energy: 1.2513793478948732
Energy: 0.8686785693914673
Energy: 1.251379347897151
Energy: 0.8686785693914673
Energy: 1.2513793478956323
Energy: 0.8686785693907079
Energy: 1.0111890095743576
Energy: 1.0948760829228328
Energy: 1.0111890095743576
Energy: 1.0948759664251833
Energy: 1.0111890095735985
Energy: 1.0948756473630457
Energy: 1.3067818498951842
Energy: 0.9337202903593121
Energy: 1.3067818498959434
Energy: 0.9337202903585529
Energy: 1.306781849896703
Energy: 0.9337202903608308
Energy: 1.330303179566673
Energy: 1.1400842176740302
Energy: 1.330303179566673
Energy: 1.1400842176725117
Energy: 1.330303179566673
Energy: 1.140084217673271
Energy: 1.1331979648250257
Energy: 1.0954675008468056
Energy: 1.133197964818951
Energy: 1.0954675008460462
Energy: 1.1331979648083197
Energy: 1.0954675008475652
Energy: 1.133214656710256
Energy: 1.0271230834185845
Energy: 1.1332146567034216
Energy: 1.0271230833556264
Energy: 1.133214656641223
Energy: 1.027123083244
Energy: 1.0114296528159819
Energy: 1.0101610707032183
Energy: 1.0114296528159819
Energy: 1.0101610706887905
Energy: 1.0114296528159819
Energy: 1.0101610706379132
Energy: 1.110824597190653
Energy: 0.9906656005113598
Energy: 1.1108245971921717
Energy: 0.9906656005075628
Energy: 1.1108245971898938
Energy: 0.9906656005090815
Energy: 0.949042026207482
Energy: 1.227264363826303
Energy: 0.949042026207482
Energy: 1.2272643638293406
Energy: 0.9490420262082415
Energy: 1.2272643638247842
Energy: 1.1514176046372515
Energy: 1.1490647324382512
Energy: 1.1514176046372515
Energy: 1.1490647324374916
Energy: 1.1514176046387703
Energy: 1.1490647324367322
Energy: 0.9151318646786923
Energy: 1.2944884473421687
Energy: 0.8615142744876747
Energy: 1.2944884473421687
Energy: 0.8615142744876747
Energy: 1.2944884473429281

minimum gb energy = 0.626720568472101 eV
minimum distance =  2.32541154305829 Angstroms
sigma value = 33


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

Energy: 1.2089428355176344
Energy: 1.223207835091366
Energy: 1.2089428355176344
Energy: 1.2232078350887743
Energy: 1.2089428355172025
Energy: 1.223207835090934
Energy: 1.2488250486663641
Energy: 1.0469319643224142
Energy: 1.2488250448174556
Energy: 1.0469319643224142
Energy: 1.2488250352723018
Energy: 1.0469319643237098
Energy: 0.8856381957747168
Energy: 1.0453892526033388
Energy: 0.8856381957751489
Energy: 1.0453892525925408
Energy: 0.8856381957747168
Energy: 1.0453892525787192
Energy: 1.108294275845386
Energy: 1.108105749022774
Energy: 1.1082942758484093
Energy: 0.762287407387277
Energy: 1.1082942758479772
Energy: 0.7627163375508179
Energy: 1.0469432900616165
Energy: 1.098556316423984
Energy: 1.0469432900590248
Energy: 1.0985563164036838
Energy: 1.0469432900603206
Energy: 1.0985563163825587
Energy: 1.0447124952483522
Energy: 0.885474255349827
Energy: 1.0447124949508746
Energy: 0.8854742553502589
Energy: 1.0447124941491464
Energy: 0.8854742553502589
Energy: 1.223103639972331
Energy: 1.1981175966362823
Energy: 1.223103397206601
Energy: 1.1981175966362823
Energy: 1.2231027602574016
Energy: 1.1981175966375779
Energy: 0.8762559596396188
Energy: 1.196704118806664
Energy: 0.8762559596396188
Energy: 1.1967041188062322
Energy: 0.8762559596391869
Energy: 1.1967041188058
Energy: 1.0730827061548263
Energy: 0.8899480199679504
Energy: 1.07308270615569
Energy: 0.8899480199679504
Energy: 1.073082706157418
Energy: 0.8899480199679504
Energy: 0.8475727287589255
Energy: 1.1238546519414698
Energy: 0.8475727287593573
Energy: 1.1238536135608126
Energy: 0.8475727287593573
Energy: 1.1238509497925429
Energy: 1.1242213522465865
Energy: 0.8506707778215448
Energy: 1.1242068976631532
Energy: 0.8506707778215448
Energy: 0.7631187208143788
Energy: 0.8506707778215448
Energy: 0.8872461720172372
Energy: 0.941051077512419
Energy: 0.8872461720172372
Energy: 0.9410510775128509
Energy: 0.8872461720172372
Energy: 0.941051077512419
Energy: 1.2522709726202277
Energy: 0.8743074510703495
Energy: 1.2522709531016483
Energy: 0.8743074510699175
Energy: 1.252270902954281
Energy: 0.8743074510694856
Energy: 1.1980520007583602
Energy: 1.2234880040526026
Energy: 1.198052000758792
Energy: 1.2234879956912723
Energy: 1.198052000758792
Energy: 1.2234879713834867
Energy: 1.0662752079699713
Energy: 1.04527594501086
Energy: 1.0662752079466866
Energy: 1.0452759450121558
Energy: 1.0662752079540294
Energy: 1.0452759450095646
Energy: 0.8855746472939141
Energy: 1.044811151591049
Energy: 0.8855746472939141
Energy: 1.044811151591049
Energy: 0.8855746472934821
Energy: 1.0448111515867298
Energy: 1.1090950806864215
Energy: 1.1089813216818398
Energy: 1.1090950680496383
Energy: 1.1089813216827036
Energy: 1.109095043847635
Energy: 1.1089813216818398
Energy: 1.045045936103113
Energy: 0.8855241590837907
Energy: 1.0450459361009534
Energy: 0.8855241590842226
Energy: 1.0450459360996576
Energy: 0.8855241590842226
Energy: 1.0465451891430957
Energy: 1.0659942869827714
Energy: 1.0465451891435278
Energy: 1.0659942869732693
Energy: 1.0465451891443915
Energy: 1.0659942869166872
Energy: 1.225303647607637
Energy: 1.2007143989423752
Energy: 1.2253036476063415
Energy: 1.2007143989436708
Energy: 1.2253036476085009
Energy: 1.200714398944103
Energy: 0.8734323194018206
Energy: 1.2638414720256899
Energy: 0.8734323194018206
Energy: 1.26384112645041
Energy: 0.8734323194013887
Energy: 1.2638402684675494
Energy: 1.0451477191663907
Energy: 0.8902641170980479
Energy: 1.045147719138355
Energy: 0.8902641170980479
Energy: 1.0451477190627685
Energy: 0.8902641170980479
Energy: 0.8477948947921047
Energy: 0.7638496133258561
Energy: 0.8477948947921047
Energy: 0.7642578158175485
Energy: 0.8477948947916727
Energy: 0.764060505915077
Energy: 1.1272971704453907
Energy: 1.0463768523828463
Energy: 1.1272971704466865
Energy: 1.0463768523824144
Energy: 1.1272971704423673
Energy: 1.0463768523819823
Energy: 0.8854223623847302
Energy: 1.1000612085014285
Energy: 0.8854223623847302
Energy: 1.1000612085022923
Energy: 0.8854223623851621
Energy: 1.1000612085009964
Energy: 1.1968108120661858
Energy: 1.2260902645128002
Energy: 1.1968108120674816
Energy: 1.2260902645145277
Energy: 1.1968108120679135
Energy: 1.226090264513664
Energy: 1.1967777223640446
Energy: 1.2260939268940292
Energy: 1.1967777223675
Energy: 1.2260939268935973
Energy: 1.1967777223649085
Energy: 1.2260939268931654
Energy: 0.8854767073930135
Energy: 1.1002441524640287
Energy: 0.8854767073943093
Energy: 1.1002441524640287
Energy: 0.8854767073930135
Energy: 1.1002441524644604
Energy: 1.1275183553386015
Energy: 1.0468353514855602
Energy: 1.1275183553394652
Energy: 1.0468353514851283
Energy: 1.1275183553386015
Energy: 1.0468353514846962
Energy: 0.8478134671918434
Energy: 0.7632359847657966
Energy: 0.8478134671918434
Energy: 0.7636870244092467
Energy: 0.8478134671918434
Energy: 0.7635379394677857
Energy: 1.0453984576430333
Energy: 0.8901053559789258
Energy: 1.0453984576205735
Energy: 0.8901053559789258
Energy: 1.0453984575575517
Energy: 0.8901053559789258
Energy: 0.873436319082049
Energy: 1.2633265044313209
Energy: 0.873436319081617
Energy: 1.2633227729583678
Energy: 0.8734363190811851
Energy: 1.2633117518127284
Energy: 1.2252947654000212
Energy: 1.200734713146553
Energy: 1.2252947654026127
Energy: 1.200734713146553
Energy: 1.2252947654030446
Energy: 1.200734713146121
Energy: 1.0465544215528733
Energy: 1.0657972861422675
Energy: 1.046554421555033
Energy: 1.0657972860995466
Energy: 1.0465544215541691
Energy: 1.065797285957915
Energy: 1.0449778552862468
Energy: 0.8856098656056904
Energy: 1.0449778552909978
Energy: 0.8856098656056904
Energy: 1.0449778552840872
Energy: 0.8856098656052585
Energy: 1.109367277122799
Energy: 1.1088313112126689
Energy: 1.109367272575352
Energy: 1.1088313112152213
Energy: 1.109367248848229
Energy: 1.1088313112148287
Energy: 0.8855170867612836
Energy: 1.044775655797149
Energy: 0.8855170867608515
Energy: 1.0447756557928298
Energy: 0.8855170867612836
Energy: 1.0447756557958532
Energy: 1.0661739835126045
Energy: 1.0452580091912618
Energy: 1.066173983509149
Energy: 1.045258009189966
Energy: 1.0661739835130364
Energy: 1.045258009184351
Energy: 1.198012489087811
Energy: 1.223740900718134
Energy: 1.198012489086947
Energy: 1.2237408947114534
Energy: 1.198012489086947
Energy: 1.2237408784943395
Energy: 1.2522762673788075
Energy: 0.8744129996192919
Energy: 1.2522762673511645
Energy: 0.8744129996192919
Energy: 1.2522762672151873
Energy: 0.874412999619724
Energy: 0.8870689023083451
Energy: 0.9410336313399611
Energy: 0.8870689023083451
Energy: 0.9410336313408251
Energy: 0.8870689023079132
Energy: 0.9410336313399611

minimum gb energy = 0.762287407387277 eV
minimum distance =  2.35340170311909 Angstroms
sigma value = 51


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

Energy: 1.1314552244473788
Energy: 1.1284213831189174
Energy: 1.131455224446378
Energy: 1.1284213831189174
Energy: 1.1314552244473788
Energy: 1.1284213831189174
Energy: 1.1831919829149475
Energy: 1.0143533449433888
Energy: 1.1831776329964894
Energy: 1.0143533449433888
Energy: 1.1831345836521998
Energy: 1.0143533449433888
Energy: 0.9978147569834819
Energy: 1.0650449472802321
Energy: 0.9978147569844827
Energy: 0.6282973723489702
Energy: 0.9978147569834819
Energy: 0.6281871630466681
Energy: 1.0882753680474218
Energy: 0.9002997452284859
Energy: 1.0882753680474218
Energy: 0.9002997452284859
Energy: 1.0882753680484227
Energy: 0.9002997452284859
Energy: 1.122365289655083
Energy: 1.0938019105320054
Energy: 1.1223652896540826
Energy: 1.0938019105280024
Energy: 1.1223652896540826
Energy: 1.093801910529003
Energy: 1.1554107121728467
Energy: 1.0937802694420866
Energy: 1.1554107121728467
Energy: 1.093780269440085
Energy: 1.1554107121718458
Energy: 1.0937802694410859
Energy: 1.044626904225272
Energy: 1.0937261780919072
Energy: 1.044625599227199
Energy: 1.0937261780939092
Energy: 1.0446215477327923
Energy: 1.093726178092908
Energy: 1.000157521433464
Energy: 1.0942983025904571
Energy: 1.0001575214324632
Energy: 1.0942983024423898
Energy: 1.0001575214324632
Energy: 1.0942983020732915
Energy: 1.2648509751061363
Energy: 0.8970201157523465
Energy: 1.2648509750490928
Energy: 0.8970201157523465
Energy: 1.2648509749110335
Energy: 0.8970201157523465
Energy: 0.9272431423651072
Energy: 1.2458793202852623
Energy: 0.9272431423651072
Energy: 1.2458793202852623
Energy: 0.9272431423661078
Energy: 1.2458793202782568
Energy: 1.2634474394798494
Energy: 0.9035234969247146
Energy: 1.2634441496259532
Energy: 0.9035234969247146
Energy: 1.2634356530868736
Energy: 0.9035234969247146
Energy: 1.1308797205257126
Energy: 1.1288577047921338
Energy: 1.1308797205287149
Energy: 1.1288577047941353
Energy: 1.1308797205287149
Energy: 1.1288577047941353
Energy: 1.3340606120866074
Energy: 1.0144511016193594
Energy: 1.3340606120856067
Energy: 1.0144511016183586
Energy: 1.334060612084606
Energy: 1.0144511016193594
Energy: 1.071665777722513
Energy: 1.0283545825885454
Energy: 1.071665777722513
Energy: 1.0283545825885454
Energy: 1.0716657777205114
Energy: 1.028354582586544
Energy: 1.09555790462345
Energy: 1.1311083313770687
Energy: 1.09555790462345
Energy: 1.1311083313770687
Energy: 1.09555790462345
Energy: 1.1311083313770687
Energy: 1.1503410404707735
Energy: 1.0937649911044298
Energy: 1.150341040471774
Energy: 1.0937649911044298
Energy: 1.1503410404707735
Energy: 1.093764991103429
Energy: 1.1224019108534364
Energy: 1.2141177518905464
Energy: 1.1224019108544374
Energy: 1.2141177518895454
Energy: 1.1224019108544374
Energy: 1.2141177518905464
Energy: 1.0456362301398519
Energy: 1.0963863301002326
Energy: 1.045636230138851
Energy: 1.0963863301002326
Energy: 1.0456362301398519
Energy: 1.0963863301002326

minimum gb energy = 0.6281871630466681 eV
minimum distance =  2.26869055583144 Angstroms
sigma value = 19


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

Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848605654
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.9670061180858923
Energy: 1.143507810334989
Energy: 0.9670061180858923
Energy: 1.143507810334989
Energy: 0.9670061180858923
Energy: 1.143507810334989
Energy: 0.8191753304066371
Energy: 1.1397413676744308
Energy: 0.8191753304066371
Energy: 1.1397413676750245
Energy: 0.8191753304066371
Energy: 1.139741367673837
Energy: 0.9246034229481289
Energy: 0.8191824791243754
Energy: 0.9246034229481289
Energy: 0.8191824791243754
Energy: 0.9246034229481289
Energy: 0.8191824791243754
Energy: 0.8622146084353428
Energy: 0.8809038713085761
Energy: 0.8622146084359366
Energy: 0.8809038713085761
Energy: 0.8622146084359366
Energy: 0.8809038713085761
Energy: 0.8621735297642845
Energy: 0.8809330680182751
Energy: 0.8621735297648782
Energy: 0.8809330680176816
Energy: 0.8621735297642845
Energy: 0.8809330680182751
Energy: 0.9248153599706739
Energy: 0.819173890899606
Energy: 0.9248153599700804
Energy: 0.819173890899606
Energy: 0.9248153599706739
Energy: 0.819173890899606
Energy: 0.8190413279197455
Energy: 1.1398046980112695
Energy: 0.8190413279197455
Energy: 1.1398046980124568
Energy: 0.8190413279197455
Energy: 1.1398046980118632
Energy: 0.9670241133546263
Energy: 1.1435271699571643
Energy: 0.9670241133546263
Energy: 1.1435271699565706
Energy: 0.9670241133534392
Energy: 1.1435271699565706
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.9670061180858923
Energy: 1.1435078103338019
Energy: 0.9670061180852988
Energy: 1.1435078103343954
Energy: 0.9670061180852988
Energy: 1.1435078103343954
Energy: 0.8191753304066371
Energy: 1.1397413676750245
Energy: 0.8191753304066371
Energy: 1.1397413676750245
Energy: 0.8191753304066371
Energy: 1.139741367673837
Energy: 0.9246034229481289
Energy: 0.8191824791243754
Energy: 0.9246034229481289
Energy: 0.8191824791243754
Energy: 0.9246034229481289
Energy: 0.8191824791249689
Energy: 0.8622146084353428
Energy: 0.8809038713085761
Energy: 0.8622146084353428
Energy: 0.8809038713085761
Energy: 0.8622146084353428
Energy: 0.8809038713085761
Energy: 0.8621735297642845
Energy: 0.8809330680182751
Energy: 0.8621735297648782
Energy: 0.8809330680176816
Energy: 0.8621735297642845
Energy: 0.8809330680182751
Energy: 0.9248153599706739
Energy: 0.819173890899606
Energy: 0.9248153599706739
Energy: 0.819173890899606
Energy: 0.9248153599712675
Energy: 0.819173890899606
Energy: 0.8190413279197455
Energy: 1.1398046980112695
Energy: 0.819041327920339
Energy: 1.1398046980124568
Energy: 0.8190413279197455
Energy: 1.1398046980118632
Energy: 0.9670241133534392
Energy: 1.1435271699571643
Energy: 0.9670241133540327
Energy: 1.1435271699571643
Energy: 0.9670241133534392
Energy: 1.1435271699565706
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848605654
Energy: 0.967006118084705
Energy: 1.143507810334989
Energy: 0.9670061180858923
Energy: 1.1435078103343954
Energy: 0.967006118084705
Energy: 1.143507810334989
Energy: 0.8191753304066371
Energy: 1.139741367673837
Energy: 0.8191753304066371
Energy: 1.1397413676744308
Energy: 0.8191753304066371
Energy: 1.139741367673837
Energy: 0.9246034229487224
Energy: 0.8191824791249689
Energy: 0.9246034229481289
Energy: 0.8191824791243754
Energy: 0.9246034229487224
Energy: 0.8191824791243754
Energy: 0.8622146084353428
Energy: 0.8809038713091697
Energy: 0.8622146084353428
Energy: 0.8809038713085761
Energy: 0.8622146084353428
Energy: 0.8809038713085761
Energy: 0.8621735297642845
Energy: 0.8809330680176816
Energy: 0.8621735297642845
Energy: 0.8809330680176816
Energy: 0.8621735297642845
Energy: 0.8809330680176816
Energy: 0.9248153599700804
Energy: 0.819173890899606
Energy: 0.9248153599706739
Energy: 0.819173890899606
Energy: 0.9248153599700804
Energy: 0.819173890899606
Energy: 0.819041327920339
Energy: 1.1398046980130503
Energy: 0.8190413279197455
Energy: 1.1398046980130503
Energy: 0.8190413279197455
Energy: 1.1398046980124568
Energy: 0.9670241133564073
Energy: 1.1435271699571643
Energy: 0.9670241133546263
Energy: 1.1435271699571643
Energy: 0.9670241133534392
Energy: 1.1435271699559768
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.8850336571013164
Energy: 0.8650640848599718
Energy: 0.967006118084705
Energy: 1.1435078103343954
Energy: 0.9670061180852988
Energy: 1.1435078103343954
Energy: 0.9670061180852988
Energy: 1.1435078103343954
Energy: 0.8191753304066371
Energy: 1.139741367675618
Energy: 0.8191753304066371
Energy: 1.1397413676750245
Energy: 0.8191753304066371
Energy: 1.139741367673837

minimum gb energy = 0.8190413279197455 eV
minimum distance =  2.28791835010782 Angstroms
sigma value = 27


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

Energy: 0.8541804479354109
Energy: 0.8268781509627133
Energy: 0.8541804479339569
Energy: 0.8268781509641675
Energy: 0.8541804479325028
Energy: 0.8268781509627133
Energy: 0.9316225107202943
Energy: 0.8544538614534823
Energy: 0.9316224967397995
Energy: 0.8544538614549364
Energy: 0.9316224531573636
Energy: 0.8544538614549364
Energy: 0.8460744874284369
Energy: 0.9624494253139775
Energy: 0.8460744881042824
Energy: 0.9624494253139775
Energy: 0.8460744931505693
Energy: 0.9624494253139775
Energy: 1.0195495822798883
Energy: 0.8040452196791152
Energy: 1.0195495822784342
Energy: 0.8040452196805692
Energy: 1.0195495822798883
Energy: 0.8040452196791152
Energy: 1.0169979237564326
Energy: 0.804231399524796
Energy: 1.0169979237564326
Energy: 0.804231399524796
Energy: 1.0169979237564326
Energy: 0.804231399524796
Energy: 1.0311544575412341
Energy: 1.0830871833160591
Energy: 1.031154457542688
Energy: 1.0830871833160591
Energy: 1.03115445753978
Energy: 1.0830871833058806
Energy: 0.9650236682125516
Energy: 0.8583131414632972
Energy: 0.9650236682125516
Energy: 0.8583131414618431
Energy: 0.9650236682110974
Energy: 0.8583131414632972
Energy: 0.8528449904422545
Energy: 0.8282739572592478
Energy: 0.8528449904422545
Energy: 0.8282739572592478
Energy: 0.8528449904422545
Energy: 0.8282739572592478
Energy: 1.0164148538140905
Energy: 0.8463661032323155
Energy: 1.0164148538184528
Energy: 0.8463661033035319
Energy: 1.016414853801004
Energy: 0.8463661031581909
Energy: 0.9380858291228557
Energy: 1.040998004223682
Energy: 0.9380858291228557
Energy: 1.0409980042222278
Energy: 0.9380858291228557
Energy: 1.0409980042004496
Energy: 0.8278743525804475
Energy: 0.8066756322302451
Energy: 0.8278743525789933
Energy: 0.8066756322302451
Energy: 0.8278743525804475
Energy: 0.8066756322302451
Energy: 1.0695395049987546
Energy: 0.9931955300238008
Energy: 1.0695395049987546
Energy: 0.9931955300092602
Energy: 1.0695395049987546
Energy: 0.9931955299584008

minimum gb energy = 0.8040452196791152 eV
minimum distance =  2.25904419080093 Angstroms
sigma value = 9


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

Energy: 0.9425803720815539
Energy: 0.7489260163620464
Energy: 0.9425803720807369
Energy: 0.7489260163620464
Energy: 0.9425803720811453
Energy: 0.7489260163612292
Energy: 0.8296218208130703
Energy: 0.7749893187311984
Energy: 0.8296218207897825
Energy: 0.7749893187316069
Energy: 0.829621820793051
Energy: 0.7749893187311984
Energy: 0.7249803101419658
Energy: 0.8399909648922954
Energy: 0.7249803101403316
Energy: 0.839990964870642
Energy: 0.7249803101407402
Energy: 0.8399909648685991
Energy: 0.7796238527212851
Energy: 0.7405969452442118
Energy: 0.7796238527208765
Energy: 0.7405969452466631
Energy: 0.7796238527208765
Energy: 0.7405969452438033
Energy: 0.7979118269876209
Energy: 0.7489809367154743
Energy: 0.7979118269876209
Energy: 0.7489809367158828
Energy: 0.7979118269880293
Energy: 0.7489809367154743
Energy: 0.8576528903484378
Energy: 0.84429747766519
Energy: 0.857652889883721
Energy: 0.8442584541554
Energy: 0.8576528875608422
Energy: 0.6374570200314256
Energy: 0.8277855664338517
Energy: 0.8085877857544238
Energy: 0.8277855658372075
Energy: 0.8085877857556494
Energy: 0.8277855635359823
Energy: 0.8085877857564664
Energy: 0.7249836873226634
Energy: 0.8305053546268827
Energy: 0.724983687323072
Energy: 0.8305053546264739
Energy: 0.7249836873226634
Energy: 0.8305053546272911
Energy: 0.797986092772706
Energy: 0.7491156458517721
Energy: 0.7979919535926983
Energy: 0.7491156458521807
Energy: 0.7979704066881277
Energy: 0.7491156458517721
Energy: 0.7565164615412127
Energy: 0.9198453209716178
Energy: 0.7565164615403956
Energy: 0.9198453209773376
Energy: 0.7565164615399871
Energy: 0.9198453209728433
Energy: 0.7768246945687618
Energy: 0.7508712983640966
Energy: 0.7768246945675362
Energy: 0.750871298363688
Energy: 0.7768246945675362
Energy: 0.750871298363688
Energy: 0.7648947782117939
Energy: 0.9013913789503814
Energy: 0.764894778208934
Energy: 0.9013910798732379
Energy: 0.7648947782081168
Energy: 0.9013903463084673
Energy: 0.6311203048056215
Energy: 0.8227943263240076
Energy: 0.6301028329376276
Energy: 0.8227943258748159
Energy: 0.6295653236661526
Energy: 0.8227943246545627
Energy: 0.9345088686307107
Energy: 0.6772389600923546
Energy: 0.934508868509443
Energy: 0.6791699407037485
Energy: 0.9345088680749223
Energy: 0.6791946527182241
Energy: 0.752338762539988
Energy: 0.7881460398064816
Energy: 0.752338762539208
Energy: 0.7881460398056646
Energy: 0.752338762539988
Energy: 0.7881460398064816
Energy: 0.8814746370752125
Energy: 0.8289349229124514
Energy: 0.8810847224074017
Energy: 0.8289349191582431
Energy: 0.6649838124277162
Energy: 0.8289349096879653
Energy: 0.9846649881817703
Energy: 0.7409960467698992
Energy: 0.9846649881829959
Energy: 0.7409960467743933
Energy: 0.9846649881821787
Energy: 0.7409960467731677
Energy: 0.768429926296983
Energy: 0.7564685958791868
Energy: 0.768429926296983
Energy: 0.7564685958791868
Energy: 0.7684299262978002
Energy: 0.7564685958791868
Energy: 0.7197087948688512
Energy: 0.976000427171415
Energy: 0.7197087948700769
Energy: 0.9760004270394879
Energy: 0.7197087948704856
Energy: 0.9760004267287231
Energy: 0.9194924812619917
Energy: 0.6930786385847231
Energy: 0.9194924812611747
Energy: 0.6930786385847231
Energy: 0.9194924812611747
Energy: 0.6930786385847231
Energy: 0.719812536571748
Energy: 0.976006596387662
Energy: 0.7198125365697052
Energy: 0.976006596357837
Energy: 0.7198125365697052
Energy: 0.9760065963039445
Energy: 0.7684018548708051
Energy: 0.7564584770652557
Energy: 0.7684018548687623
Energy: 0.7564584770652557
Energy: 0.7684018548691709
Energy: 0.7564584770648471
Energy: 0.9845302028745052
Energy: 0.7412537761928695
Energy: 0.984530202872054
Energy: 0.7412537761932781
Energy: 0.9845302028732796
Energy: 0.7412537761961009
Energy: 0.8814662646322585
Energy: 0.9181154742844511
Energy: 0.8814412847696733
Energy: 0.9181154740745634
Energy: 0.6649709136611718
Energy: 0.9181154734721992
Energy: 0.7529369898644307
Energy: 0.788499270053002
Energy: 0.7529369898644307
Energy: 0.7884992700501423
Energy: 0.7529369898648391
Energy: 0.788499270052185
Energy: 0.9342758251448835
Energy: 0.8211796605793112
Energy: 0.9342758245417395
Energy: 0.8211796605789027
Energy: 0.93427582301971
Energy: 0.8211796605825797
Energy: 0.9565341062238661
Energy: 0.8227278115389672
Energy: 0.9565325786802016
Energy: 0.8227278110460599
Energy: 0.9565285186433974
Energy: 0.822727809550178
Energy: 0.7649868727925334
Energy: 0.8386071508363329
Energy: 0.7649868727921249
Energy: 0.8386071485057286
Energy: 0.7649868727929421
Energy: 0.838607141803027
Energy: 0.7767069151956502
Energy: 0.7517578278487035
Energy: 0.7767069151960587
Energy: 0.7517578278487035
Energy: 0.7767069151923817
Energy: 0.7517578278482949
Energy: 0.7560773272217871
Energy: 1.1196099550573222
Energy: 0.7560773272226042
Energy: 1.1196099500163028
Energy: 0.7560773272221957
Energy: 1.1196099354731752
Energy: 0.7984234884300988
Energy: 0.7489707694638709
Energy: 0.7984222747394724
Energy: 0.7489707694642794
Energy: 0.7984183016392296
Energy: 0.7489707694634623
Energy: 0.7249067801541643
Energy: 0.8304070158252529
Energy: 0.7249067801537558
Energy: 0.83040701582607
Energy: 0.7249067801541643
Energy: 0.8304070158252529
Energy: 0.8276040689953736
Energy: 0.8068785971160353
Energy: 0.8276040669012135
Energy: 0.8068785970870648
Energy: 0.8276040611590332
Energy: 0.806878597032318
Energy: 0.8577575427656827
Energy: 0.8339063717553316
Energy: 0.8577575417578058
Energy: 0.8339022350297681
Energy: 0.857757539169921
Energy: 0.46162719780305683
Energy: 0.7978364532107831
Energy: 0.7493521160911307
Energy: 0.7978364532116002
Energy: 0.7493521160911307
Energy: 0.7978364532111916
Energy: 0.7493521160911307
Energy: 0.7794336204172898
Energy: 0.74178948078113
Energy: 0.7794336204176984
Energy: 0.7417894807799043
Energy: 0.7794336204172898
Energy: 0.7417894807827642
Energy: 0.7248910618922502
Energy: 0.8398063248214348
Energy: 0.7248910618947015
Energy: 0.8398063248218433
Energy: 0.7248910618930674
Energy: 0.8398063248263375
Energy: 0.8286163179619686
Energy: 0.737491060418227
Energy: 0.8286163179636029
Energy: 0.7374910604186355
Energy: 0.8286163179644199
Energy: 0.7896572967750648
Energy: 0.9425803720819625
Energy: 0.7489260163624548
Energy: 0.9425803720819625
Energy: 0.7489260163624548
Energy: 0.9425803720815539
Energy: 0.7489260163624548
Energy: 0.8296218207999965
Energy: 0.7749893187316069
Energy: 0.8296218207869226
Energy: 0.7749893187320155
Energy: 0.829621820793051
Energy: 0.7749893187320155
Energy: 0.7249803101419658
Energy: 0.8399909648902528
Energy: 0.7249803101399231
Energy: 0.8399909648694162
Energy: 0.7249803101403316
Energy: 0.8399909648665564
Energy: 0.7796238527200595
Energy: 0.7405969452433946
Energy: 0.779623852720468
Energy: 0.7405969452454374
Energy: 0.779623852720468
Energy: 0.7405969452446204
Energy: 0.7979118269880293
Energy: 0.7489809367187428
Energy: 0.7979118269884379
Energy: 0.7489809367175171
Energy: 0.7979118269880293
Energy: 0.7489809367183342

minimum gb energy = 0.46162719780305683 eV
minimum distance =  2.35007000302533 Angstroms
sigma value = 57


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

Energy: 0.9752234893169277
Energy: 0.7306973095244538
Energy: 0.408694810318293
Energy: 0.7306973095244538
Energy: 0.9752234893187878
Energy: 0.7306973095253839
Energy: 0.8083353159440548
Energy: 0.6945134331350779
Energy: 0.8083353159440548
Energy: 0.6986575797404726
Energy: 0.8083353159440548
Energy: 0.6945134331350779
Energy: 0.7682955780052986
Energy: 0.47976746162691414
Energy: 0.7682955780043685
Energy: 0.4543372394055768
Energy: 0.7682955780071586
Energy: 0.47976554631264046
Energy: 0.7995829897331488
Energy: 0.5160947773296322
Energy: 0.7995829897331488
Energy: 0.5160418452386537
Energy: 0.7995829897331488
Energy: 0.5160947773296322
Energy: 0.3675577065992707
Energy: 0.08558426637085059
Energy: 0.3675577065992707
Energy: 0.08558426666833235
Energy: 0.3675577065992707
Energy: 0.08558426637085059
Energy: 0.6716213332635997
Energy: 0.6885419956842949
Energy: 0.3615341086517427
Energy: 0.6885419956935952
Energy: 0.6716213332626697
Energy: 0.6885419957103357
Energy: 0.6743134127302287
Energy: 0.357901117912552
Energy: 0.3615747946260242
Energy: 0.357901117911622
Energy: 0.6743134127311587
Energy: 0.35790111791069196
Energy: 0.4716437198070607
Energy: 0.3729475169057391
Energy: 0.47164372305048713
Energy: 0.37294751690387895
Energy: 0.4716437242311139
Energy: 0.37294751690480904
Energy: 0.7806171720723236
Energy: 0.5157760402096184
Energy: 0.7806171720741838
Energy: 0.5156445817573966
Energy: 0.7806171720732537
Energy: 0.5157760402086884
Energy: 0.3576266743205237
Energy: 0.693083482393491
Energy: 0.35762667432238376
Energy: 0.6930834823786106
Energy: 0.35762667432331374
Energy: 0.6930834824687809
Energy: 0.3769252362875081
Energy: 0.7054920260834118
Energy: 0.3769252362875081
Energy: 0.7054920260806218
Energy: 0.3769252362865781
Energy: 0.7054920260796917
Energy: 0.9752234893178577
Energy: 0.7306973095244538
Energy: 0.408694810318293
Energy: 0.7306973095244538
Energy: 0.9752234893197178
Energy: 0.730697309526314
Energy: 0.808335315944985
Energy: 0.6945134331360079
Energy: 0.808335315944985
Energy: 0.6986575797404726
Energy: 0.8083353159440548
Energy: 0.6945134331360079
Energy: 0.7682955780052986
Energy: 0.4797672087691447
Energy: 0.7682955780043685
Energy: 0.45433723937395587
Energy: 0.7682955780071586
Energy: 0.4797670403565867
Energy: 0.7995829897331488
Energy: 0.5160947773305622
Energy: 0.7995829897331488
Energy: 0.5160418452377237
Energy: 0.7995829897331488
Energy: 0.5160947773305622
Energy: 0.36755770660113063
Energy: 0.08558426645544075
Energy: 0.3675577066002006
Energy: 0.08558426666182217
Energy: 0.3675577066002006
Energy: 0.08558426647590135
Energy: 0.6716213332626697
Energy: 0.6885419957019654
Energy: 0.36153410865081265
Energy: 0.6885419956935952
Energy: 0.6716213332617397
Energy: 0.6885419957270762
Energy: 0.6743134127320887
Energy: 0.35790111791069196
Energy: 0.3615747946260242
Energy: 0.35790111791069196
Energy: 0.6743134127311587
Energy: 0.357901117912552
Energy: 0.47164371780281067
Energy: 0.37294751690480904
Energy: 0.4716437173314984
Energy: 0.37294751690387895
Energy: 0.471643722854336
Energy: 0.3729475169057391

minimum gb energy = 0.08558426637085059 eV
minimum distance =  2.43260613911736 Angstroms
sigma value = 11


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

Energy: 0.6094862333565539
Energy: 0.8080233344196133
Energy: 0.6094862333551916
Energy: 0.8080233344196133
Energy: 0.609486233353829
Energy: 0.8080233344189319
Energy: 0.7965340408507922
Energy: 0.7596402050096084
Energy: 0.7965340408507922
Energy: 0.7596402050102896
Energy: 0.7965340408528359
Energy: 0.7596402050102896
Energy: 0.8377538111836403
Energy: 0.9065777280406023
Energy: 0.8377538111829589
Energy: 0.9065774093182666
Energy: 0.8377538111836403
Energy: 0.9065761099656309
Energy: 0.8309222185679831
Energy: 0.5111951011969409
Energy: 0.8309222185659392
Energy: 0.5111951011969409
Energy: 0.8309222185700268
Energy: 0.5111951011976221
Energy: 0.7807494330343997
Energy: 0.5542019609483264
Energy: 0.7807494330350809
Energy: 0.554201960949689
Energy: 0.7807494330357622
Energy: 0.5542019609490076
Energy: 0.7119774181506009
Energy: 0.7686489420052164
Energy: 0.7119774181485572
Energy: 0.7686489419970413
Energy: 0.7119774181485572
Energy: 0.7686489419228455
Energy: 0.521524909470974
Energy: 0.9808711086326619
Energy: 0.521524909470974
Energy: 0.9808711048758053
Energy: 0.5215249094716552
Energy: 0.9808710950685889
Energy: 0.4586445397943385
Energy: 0.22407611528102578
Energy: 0.4587284571497671
Energy: 0.2242030379422384
Energy: 0.4593653808847875
Energy: 0.2246590346058554
Energy: 0.8005267041974671
Energy: 0.2247085980716772
Energy: 0.8005267041981482
Energy: 0.2258415758257348
Energy: 0.8005267041974671
Energy: 0.23029382682819624
Energy: 0.5223840690483724
Energy: 1.0388418664541503
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Energy: 0.6660905356373596
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Energy: 0.8990614502788941
Energy: 1.210283731709574
Energy: 0.8990614502782126
Energy: 1.2102837317068489
Energy: 0.8990614502809378

minimum gb energy = -0.2084596245496507 eV
minimum distance =  2.31898592639898 Angstroms
sigma value = 41


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

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Energy: 0.6200453317618317
Energy: 0.6891168109286988
Energy: 0.6200453317623686
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Energy: 0.6068589933806109
Energy: 0.8041922036234498
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Energy: 0.8041922036234498
Energy: -0.24743685001818783
Energy: 0.9251724199811521
Energy: -0.3633901245080742
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Energy: 0.15729782245549775
Energy: 0.9251724199800782
Energy: 1.012360555802141
Energy: 0.4811391858111913
Energy: 1.0123605558005302
Energy: 0.48093606302533465
Energy: 1.012360555802141
Energy: -0.15343443569186352
Energy: -0.17704565751293724
Energy: 0.7622364014967817
Energy: -0.1252101591544894
Energy: 0.7622364014967817
Energy: -0.19793550410795072
Energy: 0.7622364014951709
Energy: 0.6063031217191068
Energy: 0.6371894795714349
Energy: 0.6063031217174961
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Energy: 0.6063031217169591
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Energy: 0.3306561730471291
Energy: 0.4584939603439099
Energy: 0.3315031064643772
Energy: 0.4584944556359417
Energy: 0.3252966608144573

minimum gb energy = -0.41538342845489995 eV
minimum distance =  2.30791249125989 Angstroms
sigma value = 33


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

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Energy: 0.6178864569058874
Energy: 0.6958817650124812
Energy: 0.6178864569055448
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Energy: -0.49964660735348376
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Energy: 0.2528603300374881
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Energy: -0.42450036521348933
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Energy: -0.5891793237432139
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Energy: 0.26208961822983295
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Energy: 0.8930340012966167
Energy: 0.18428397037069455
Energy: 0.8930340012966167
Energy: 0.1776066240804175
Energy: 0.8930340012962741

minimum gb energy = -0.9124789515921866 eV
minimum distance =  2.36898755364701 Angstroms
sigma value = 67


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

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Energy: 0.6270657832554551
Energy: 0.7453208749726683
Energy: 0.6270657832554551
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Energy: 0.6139655100083413
Energy: -0.037683439095532824
Energy: 0.6139747380303935
Energy: -0.03648830847689555
Energy: 0.6139920753490778
Energy: -0.023252908315716053
Energy: 0.9352161024873924
Energy: 0.7499169536442581
Energy: 0.6344533780718594
Energy: 0.7499169536440005
Energy: 0.6344533780718594
Energy: 0.7499169536442581

minimum gb energy = -0.03799974491037709 eV
minimum distance =  2.37242477619609 Angstroms
sigma value = 3


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

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Energy: 0.5452261820075247
Energy: 0.8231099386673683
Energy: 0.5485884670864818
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Energy: -1.067788610554879
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Energy: -1.4066842496924468
Energy: -1.6483629573307126
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Energy: -1.6071697718349214
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Energy: -2.0068686588382003
Energy: -1.5070345329331465
Energy: -1.9844767714878968
Energy: -1.6779629332872614
Energy: -1.7770881844969462

minimum gb energy = -2.0068686588382003 eV
minimum distance =  2.28384239777527 Angstroms
sigma value = 81


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

Energy: 0.8822673030636429
Energy: 0.6226902805171003
Energy: 0.882267303062702
Energy: 0.6226902746957739
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Energy: -0.7476466615727259
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Energy: -0.07876292050132383
Energy: -1.4079997713355543
Energy: -0.08107007782266376
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Energy: -1.0225752740943987
Energy: 0.7125594710204589
Energy: -1.0905525157246636

minimum gb energy = -1.4392279105395998 eV
minimum distance =  2.30205584135822 Angstroms
sigma value = 43


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

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Energy: 0.15785517327495394
Energy: 0.951129172509682
Energy: 0.15378901180771146
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Energy: -0.03635904162053702
Energy: 0.2981301526464989
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Energy: 0.8888104111190571
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Energy: 0.6763305230568423
Energy: -0.9719162867627654
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Energy: -0.331279122932445
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Energy: 0.8887230020880871
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Energy: 0.8887230020880871
Energy: 0.8265081714916737
Energy: -0.37998179786728487
Energy: 0.12746437373076985
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Energy: 0.19365935228424008
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Energy: 0.3287095960716437
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Energy: -0.39712034984366795
Energy: -0.5077913975096864
Energy: -0.35781159556029646
Energy: -0.4638545693766423
Energy: -0.45236165520594573
Energy: -0.5771854973472459
Energy: 0.7879486559507657
Energy: 0.7994766518539163
Energy: 0.7879486559507657
Energy: 0.7994766518550718
Energy: 0.7879486559507657
Energy: 0.7994766518544939
Energy: 0.16301107377605395
Energy: -0.5913348138548498
Energy: 0.1511229729935639
Energy: -0.5943084970938424
Energy: 0.13803016247578237
Energy: -0.619244524006582

minimum gb energy = -0.9719162867627654 eV
minimum distance =  2.333114163496 Angstroms
sigma value = 57


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

Energy: 0.5816995930139793
Energy: 0.7262761765911461
Energy: 0.5816995930147275
Energy: 0.7262761765911461
Energy: 0.5816995930147275
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Energy: 0.0025682353592885528
Energy: 0.5687728466686253
Energy: -0.013761171755522454
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Energy: 0.7801431045108513
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Energy: 0.948568436109941
Energy: 0.16991359097057707
Energy: 0.948568436109941
Energy: 0.1703100228175089
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Energy: 0.17046237211922682
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Energy: 0.4564673735535841
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Energy: 0.4564648051399736
Energy: 0.9589581201672811
Energy: -0.5992504006078693
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Energy: 0.22988258434143707
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Energy: 0.7242635072414733
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Energy: 0.7242635072422214
Energy: 0.468762947562764
Energy: 0.7242635072414733
Energy: 0.7498982004601874
Energy: 0.46544051651401624
Energy: 0.7498982004594393
Energy: 0.4654405156316166
Energy: 0.7498982004609355
Energy: 0.5843142223917392
Energy: 0.4684744061116384
Energy: 0.7244348095616316
Energy: 0.4684744061108903
Energy: 0.7244348095623797
Energy: 0.4684744061101422
Energy: 0.7244348095631278
Energy: 0.22636964103440912
Energy: 0.48999551857056245
Energy: 0.22692739830482556
Energy: 0.48999551857056245
Energy: 0.2277182121489476
Energy: 0.48999551857056245
Energy: 0.5698111111083677
Energy: 0.1921277490680194
Energy: 0.5698111111106121
Energy: 0.33237094370213544
Energy: 0.5698111111083677
Energy: 0.19257426618145068
Energy: 0.7407014096112006
Energy: 0.7422113959360114
Energy: 0.7407014096261628
Energy: 0.7422113959352633
Energy: 0.7407014096044675
Energy: 0.7422113959367594
Energy: -0.11790763246839848
Energy: 0.5684546918595524
Energy: -0.059641014487110365
Energy: 0.5684546918595524
Energy: -0.057269423908812685
Energy: 0.5684546918580562
Energy: -0.1857393073772012
Energy: 0.16585137550088025
Energy: -0.182056754537359
Energy: 0.1594493845379765
Energy: -0.183067062157009
Energy: 0.15938739863529988

minimum gb energy = -1.325807735969709 eV
minimum distance =  2.38183402114548 Angstroms
sigma value = 17


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

Energy: 0.8433415095142154
Energy: 0.7496792569131728
Energy: 0.8433415095131573
Energy: 0.7496792569131728
Energy: 0.8433415095142154
Energy: 0.7496792569131728
Energy: 0.5821696604579222
Energy: 0.6870834077703899
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Energy: -0.9240503122833087
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Energy: -0.8667552236668532
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Energy: -0.6916346590835454
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Energy: 0.7836873344665325
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Energy: 0.7836873344686485
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Energy: 0.5973961699530561
Energy: 0.7660934016597414
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Energy: 0.7660934016607994
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Energy: 0.5400498148660253
Energy: 0.5515038894836113
Energy: 0.5400498148660253
Energy: 0.5519692631985106
Energy: 0.5400498148670834
Energy: 0.5526616905122967
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Energy: 0.614649054847498
Energy: -0.9199011173641092
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Energy: 0.6328478560492737
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Energy: 0.6328478560503318
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Energy: 0.6193729872223495
Energy: 0.699292394287293
Energy: 0.6193729872212915
Energy: 0.699292394287293
Energy: 0.6193729872223495
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Energy: 0.4423618357993633
Energy: 0.6130177028757188
Energy: 0.39021985492550626
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Energy: 0.37585887763377474
Energy: 0.6130177028757188
Energy: 0.5361339655341085
Energy: 0.7836842851826332
Energy: 0.5361339655372824
Energy: 0.7836842851826332
Energy: 0.5361339655330505
Energy: 0.7836842851826332
Energy: 0.7548356459844282
Energy: 0.8511654195365439
Energy: 0.7548356459854861
Energy: 0.8511654195376019
Energy: 0.7548356459854861
Energy: 0.8511654195365439
Energy: 0.5394753366759173
Energy: 0.70749282993796
Energy: -0.9570469278468956
Energy: 0.70749282993796
Energy: 0.39349209473103836
Energy: 0.707492829939018
Energy: 0.39641409226617924
Energy: 0.7846129006306845
Energy: 0.3757217691419517
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Energy: 0.39458300894658754
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Energy: 0.7540606646996181
Energy: 0.7296329897652268
Energy: 0.7540606646985601
Energy: 0.7296329897535891
Energy: 0.7540606646985601
Energy: 0.7296329897207913

minimum gb energy = -0.9570469278468956 eV
minimum distance =  2.32070432008344 Angstroms
sigma value = 17


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

Energy: 0.7514247856902674
Energy: 0.6798187561947315
Energy: 0.7514247856919016
Energy: 0.6798187561947315
Energy: 0.751424785690676
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Energy: 0.6522561114738228
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Energy: 0.6223278331911236
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Energy: 0.7163640278435236
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Energy: 0.7514247856919016
Energy: 0.679818756194323
Energy: 0.7514247856894503
Energy: 0.6798187561939144
Energy: 0.6630686181693247
Energy: 0.6625684971260594
Energy: 0.6630686181730017
Energy: 0.6625684971268764
Energy: 0.6630686181701418
Energy: 0.6625684971256508
Energy: 0.46060503205028364
Energy: 0.7263877981800417
Energy: 0.3741713539929254
Energy: 0.7263877981796332
Energy: 0.37373165078148285
Energy: 0.7263877981800417
Energy: 0.6081777365433937
Energy: 0.7375496466333128
Energy: 0.6081777365450279
Energy: 0.737549646634947
Energy: 0.6081777365438022
Energy: 0.7375496466345385
Energy: 0.65225611147178
Energy: 0.6223278331903066
Energy: 0.6522561114701457
Energy: 0.6223278331907152
Energy: 0.6522561114709629
Energy: 0.6223278331911236

minimum gb energy = 0.36225144206520643 eV
minimum distance =  2.33952143252335 Angstroms
sigma value = 57


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

Energy: 0.6627255607128668
Energy: 0.6204346668758638
Energy: 0.6627255607122016
Energy: 0.6204346668758638
Energy: 0.6627255607141972
Energy: 0.6204346668751985
Energy: 0.6238074339283011
Energy: 0.6639672722680888
Energy: 0.6238074339296314
Energy: 0.6639672722680888
Energy: 0.6238074339309618
Energy: 0.6639672722680888
Energy: 0.6658275892513871
Energy: 0.6611831379551405
Energy: 0.6658275892527175
Energy: 0.6611831379551405
Energy: 0.6658275892507218
Energy: 0.6611831379551405
Energy: 0.5739252344594942
Energy: 0.7065814405479613
Energy: 0.5739252344628204
Energy: 0.7065814405479613
Energy: 0.5739252344628204
Energy: 0.7065814405472962
Energy: 0.6248481779718539
Energy: 0.5902933547118316
Energy: 0.6248481779698581
Energy: 0.5902933547111664
Energy: 0.6248481779691929
Energy: 0.590293354710501
Energy: 0.6499242201678851
Energy: 0.6141828922307376
Energy: 0.6499242201685502
Energy: 0.6141828922314029
Energy: 0.6499242201692155
Energy: 0.6141828922314029
Energy: 0.5848232063159402
Energy: 0.6871989718512873
Energy: 0.5848232063146097
Energy: 0.6871989718506222
Energy: 0.5848232063139446
Energy: 0.6871989718506222
Energy: 0.5246502440032045
Energy: 0.7230353703139976
Energy: 0.5271501430204053
Energy: 0.7230353703146628
Energy: 0.5249546386067111
Energy: 0.7230353703139976
Energy: 0.6553808286709741
Energy: 0.6156584333331754
Energy: 0.6553808286716393
Energy: 0.6156584333338405
Energy: 0.6553808286716393
Energy: 0.6156584333331754
Energy: 0.6316612883708284
Energy: 0.6621761300706311
Energy: 0.631661288370163
Energy: 0.6621761300699659
Energy: 0.6316612883708284
Energy: 0.6621761300699659
Energy: 0.5819364091262531
Energy: 0.5532197133177592
Energy: 0.5819364091295792
Energy: 0.5531679996575416
Energy: 0.5819364091249226
Energy: 0.5547317410950011
Energy: 0.6741776646479968
Energy: 0.5891623924807491
Energy: 0.6741776646479968
Energy: 0.5891623924800838
Energy: 0.6741776646466663
Energy: 0.5891623924800838
Energy: 0.6257837146055817
Energy: 0.6650893193634336
Energy: 0.6257837146055817
Energy: 0.6650893193627684
Energy: 0.6257837146055817
Energy: 0.6650893193621031
Energy: 0.5969241051098488
Energy: 0.6558577964543276
Energy: 0.5969241051071879
Energy: 0.6558577964543276
Energy: 0.5969241051091836
Energy: 0.6558577964529972
Energy: 0.7182440505251673
Energy: 0.5486170738849657
Energy: 0.7182440505238369
Energy: 0.5486170738862962
Energy: 0.7182440505258325
Energy: 0.5486170738929484
Energy: 0.6246534395360519
Energy: 0.6096898386391624
Energy: 0.6246534395360519
Energy: 0.6096898386338405
Energy: 0.6246534395360519
Energy: 0.6096898386285188
Energy: 0.6571018765781034
Energy: 0.6267671150116618
Energy: 0.6571018765754425
Energy: 0.6267671150156532
Energy: 0.6571018765781034
Energy: 0.6267671150136576
Energy: 0.6135345033099336
Energy: 0.5558437937963646
Energy: 0.6135345033086033
Energy: 0.5558437937930385
Energy: 0.613534503307938
Energy: 0.5558437937937036
Energy: 0.6046892879496261
Energy: 0.656803804186276
Energy: 0.6046892879502914
Energy: 0.6568038041856109
Energy: 0.6046892879502914
Energy: 0.6568038041876065
Energy: 0.6092219788133999
Energy: 0.701831081869678
Energy: 0.6092219788127348
Energy: 0.701831081869678
Energy: 0.6092219788127348
Energy: 0.701831081869678
Energy: 0.627978022316161
Energy: 0.6445572454879794
Energy: 0.6279780223254742
Energy: 0.6445572454886446
Energy: 0.6279780223228132
Energy: 0.6445572454859836
Energy: 0.5936169029482993
Energy: 0.6606376142480932
Energy: 0.593616902947634
Energy: 0.6606376142434366
Energy: 0.593616902947634
Energy: 0.6606376142467627
Energy: 0.6480185461519046
Energy: 0.677765227121401
Energy: 0.6480185461525698
Energy: 0.6777652271207357
Energy: 0.6480185461525698
Energy: 0.6777652271207357
Energy: 0.6778809711405664
Energy: 0.6728819001271602
Energy: 0.6778809711405664
Energy: 0.672881900126495
Energy: 0.6778809711399012
Energy: 0.672881900126495
Energy: 0.6814985665204333
Energy: 0.6419255983734953
Energy: 0.6814985665191027
Energy: 0.6419255983741605
Energy: 0.6814985665210985
Energy: 0.6419255983781519
Energy: 0.6239739672170731
Energy: 0.6765844439036388
Energy: 0.6239739672170731
Energy: 0.6765844439043041
Energy: 0.6239739672170731
Energy: 0.6765844439049693
Energy: 0.5901221508429965
Energy: 0.6560322347063031
Energy: 0.5901221508423312
Energy: 0.6560322347069683
Energy: 0.5901221508429965
Energy: 0.6560322347056379

minimum gb energy = 0.5246502440032045 eV
minimum distance =  2.34778114201735 Angstroms
sigma value = 43


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

Energy: 0.5924810187524558
Energy: 0.5409553854919213
Energy: 0.5924810187534252
Energy: 0.540955385492406
Energy: 0.5924810187524558
Energy: 0.540955385492406
Energy: 0.6063190284236977
Energy: 0.6036139389517218
Energy: 0.606319028424667
Energy: 0.6036139389517218
Energy: 0.6063190284266057
Energy: 0.6036139389512372
Energy: 0.5576017809190433
Energy: 0.6018078368910276
Energy: 0.5576017779370965
Energy: 0.6018078368915122
Energy: 0.5576017706588111
Energy: 0.6018078368910276
Energy: 0.5643208105043515
Energy: 0.5895547097089125
Energy: 0.5643208105038668
Energy: 0.5895547097084278
Energy: 0.5643208105048362
Energy: 0.5895547097093972
Energy: 0.6090774986840654
Energy: 0.5577100231920398
Energy: 0.609077498683096
Energy: 0.5577100231939786
Energy: 0.6090774986835807
Energy: 0.5577100231920398
Energy: 0.5389682786013175
Energy: 0.5375787524383395
Energy: 0.5389682786018022
Energy: 0.5375787524383395
Energy: 0.538968278600348
Energy: 0.5375787524383395
Energy: 0.5107236536507992
Energy: 0.5792617917389282
Energy: 0.5107236536483758
Energy: 0.5792617917389282
Energy: 0.5107236536285035
Energy: 0.5792617917384435
Energy: 0.6655980549735749
Energy: 0.48339598818306695
Energy: 0.6655980549735749
Energy: 0.4833959881840364
Energy: 0.6655980549721209
Energy: 0.48339598818306695
Energy: 0.5228667500221009
Energy: 0.5272505798913059
Energy: 0.522866750023555
Energy: 0.5272505798927599
Energy: 0.5228667500225855
Energy: 0.5272505798927599
Energy: 0.614013487875384
Energy: 0.5538883604060356
Energy: 0.6140134878758686
Energy: 0.5538883604060356
Energy: 0.614013487875384
Energy: 0.553888360405551
Energy: 0.6770685593406001
Energy: 0.5937928975313937
Energy: 0.6770685593401155
Energy: 0.5937928975333324
Energy: 0.6770685593406001
Energy: 0.5937928975284856
Energy: 0.5279134823418626
Energy: 0.5280526021336382
Energy: 0.5279134823418626
Energy: 0.528052602134123
Energy: 0.5279134823418626
Energy: 0.5280526021350922
Energy: 0.5415749699644891
Energy: 0.5267968758324102
Energy: 0.5415749699649738
Energy: 0.5267968758324102
Energy: 0.5415749699664278
Energy: 0.5267968758319255
Energy: 0.6676628569386143
Energy: 0.513353052183313
Energy: 0.6676628569381295
Energy: 0.5133326306056403
Energy: 0.6676628569381295
Energy: 0.46310419617602333
Energy: 0.5450748428202352
Energy: 0.5291146714096332
Energy: 0.5450748428197505
Energy: 0.5291146714086638
Energy: 0.5450748428197505
Energy: 0.5291146714076944
Energy: 0.5637127364575379
Energy: 0.5381628661277544
Energy: 0.5637127364565686
Energy: 0.5381628661287239
Energy: 0.5637127364565686
Energy: 0.5381628661277544
Energy: 0.5107214604780669
Energy: 0.5842310613917917
Energy: 0.5107214604756434
Energy: 0.5842310532821743
Energy: 0.5107214604780669
Energy: 0.5842310378937865
Energy: 0.5600528280994114
Energy: 0.5071600336360549
Energy: 0.5600528280994114
Energy: 0.5071600336370242
Energy: 0.560052828099896
Energy: 0.5071600336370242
Energy: 0.538573905509036
Energy: 0.5616294750832876
Energy: 0.5385739055095208
Energy: 0.5616294750832876
Energy: 0.5385739055095208
Energy: 0.5616294750832876
Energy: 0.596621205669909
Energy: 0.5234782811758157
Energy: 0.5966212056694242
Energy: 0.5234782811811474
Energy: 0.596621205669909
Energy: 0.5234782811777545
Energy: 0.6021450686017057
Energy: 0.561068124599316
Energy: 0.6021450686031597
Energy: 0.5610681245983465
Energy: 0.6021450686021903
Energy: 0.561068124599316
Energy: 0.6098799101623062
Energy: 0.6038880319727011
Energy: 0.609879910162791
Energy: 0.6038880319727011
Energy: 0.6098799101618215
Energy: 0.6038880319712471
Energy: 0.5770337078724279
Energy: 0.6000433146923511
Energy: 0.5770337078743667
Energy: 0.6000433146918663
Energy: 0.5770337078738821
Energy: 0.6000433146913816
Energy: 0.5565302506530518
Energy: 0.5466957495063739
Energy: 0.5565302506530518
Energy: 0.546695749517037
Energy: 0.5565302506535366
Energy: 0.5466957494986188
Energy: 0.5616992200730976
Energy: 0.5133786315933077
Energy: 0.561699220072613
Energy: 0.5133786315947618
Energy: 0.561699220072613
Energy: 0.5133786315942771
Energy: 0.5643547834263822
Energy: 0.5813439554789781
Energy: 0.5643547834258975
Energy: 0.5813439554789781
Energy: 0.5643547834258975
Energy: 0.5813439554794627
Energy: 0.5679299960535652
Energy: 0.523267898674598
Energy: 0.5679299960550194
Energy: 0.523267898674598
Energy: 0.567929996055504
Energy: 0.5232678986750827
Energy: 0.5288611154937539
Energy: 0.5828192298385921
Energy: 0.5288611154942386
Energy: 0.5828192298385921
Energy: 0.5288611154937539
Energy: 0.5828192298385921
Energy: 0.5225295756497988
Energy: 0.5514778103280569
Energy: 0.5225295756497988
Energy: 0.5514778103285416
Energy: 0.5225295756493141
Energy: 0.5514778103285416
Energy: 0.5419911192417829
Energy: 0.4830975463295681
Energy: 0.5419911192437217
Energy: 0.4830974924981025
Energy: 0.5419911192427522
Energy: 0.4830973296412858
Energy: 0.4844392276053846
Energy: 0.5496336830270847
Energy: 0.48443922760150704
Energy: 0.5496336830261153
Energy: 0.4844392276053846
Energy: 0.5496336830207837
Energy: 0.5228420394910428
Energy: 0.5345480685073065
Energy: 0.5228420394910428
Energy: 0.5345480685068218
Energy: 0.5228420394920122
Energy: 0.5345480685073065
Energy: 0.525247194723459
Energy: 0.5148927377053192
Energy: 0.5252471947253977
Energy: 0.5148927377048345
Energy: 0.5252471947268518
Energy: 0.5148927377043497
Energy: 0.5115489577840223
Energy: 0.4662138016552265
Energy: 0.5115500640838682
Energy: 0.4659317601629796
Energy: 0.5115469776262809
Energy: 0.4641427112341459
Energy: 0.5446440287301242
Energy: 0.5181466698787526
Energy: 0.5446440287306088
Energy: 0.5181466698797219
Energy: 0.5446440287301242
Energy: 0.5181466698797219
Energy: 0.4739021432325499
Energy: 0.5143196827435369
Energy: 0.4739021432325499
Energy: 0.5143196827415982
Energy: 0.4739021432320652
Energy: 0.5143196827411135

minimum gb energy = 0.46310419617602333 eV
minimum distance =  2.3369657858389 Angstroms
sigma value = 81


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

Energy: -0.02414603604135371
Energy: 0.002392946885033855
Energy: -0.024146036039572848
Energy: 0.002392946885033855
Energy: -0.02414603604135371
Energy: 0.002392946885033855
Energy: 0.7242843649794617
Energy: 0.0020464416072079774
Energy: 0.7242843649794617
Energy: 0.0020464416089888433
Energy: 0.7242843649794617
Energy: 0.0020464416072079774
Energy: 0.7242912686431419
Energy: 0.0017869503869992625
Energy: 0.7242912686449228
Energy: 0.0017869503941227258
Energy: 0.7242912686431419
Energy: 0.00178695039234186
Energy: -0.02414603604135371
Energy: 0.002392946885033855
Energy: -0.02414603604135371
Energy: 0.002392946885033855
Energy: -0.02414603604135371
Energy: 0.002392946885033855
Energy: 0.7242843649794617
Energy: 0.0020464415947419167
Energy: 0.7242843649794617
Energy: 0.002046441603646246
Energy: 0.7242843649794617
Energy: 0.002046441592961051
Energy: 0.7242912686431419
Energy: 0.0017869503727928103
Energy: 0.7242912686449228
Energy: 0.0017869503745736762
Energy: 0.7242912686449228
Energy: 0.0017869503781354076
Energy: -0.024146036039572848
Energy: 0.002392946885033855
Energy: -0.024146036039572848
Energy: 0.002392946885033855
Energy: -0.024146036039572848
Energy: 0.002392946885033855
Energy: 0.7242843649794617
Energy: 0.002046441603646246
Energy: 0.7242843649794617
Energy: 0.0020464416018653796
Energy: 0.7242843649794617
Energy: 0.00204644158049499
Energy: 0.7242912686449228
Energy: 0.0017869503656693468
Energy: 0.7242912686449228
Energy: 0.0017869503603267496
Energy: 0.7242912686431419
Energy: 0.0017869503656693468
Energy: -0.024146036039572848
Energy: 0.002392946885033855
Energy: -0.024146036039572848
Energy: 0.002392946885033855
Energy: -0.024146036039572848
Energy: 0.002392946885033855

minimum gb energy = -0.02414603604135371 eV
minimum distance =  2.5241882575762 Angstroms
sigma value = 3


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

Energy: 0.3947381695250345
Energy: 0.39010518990563
Energy: 0.39473816952663326
Energy: 0.39010518990563
Energy: 0.39473816952663326
Energy: 0.39010518990563
Energy: 0.2559464662433982
Energy: 0.31585438284965
Energy: 0.2559464662433982
Energy: 0.31585438284965
Energy: 0.25594646624499695
Energy: 0.31585438284965
Energy: 0.3667390638693833
Energy: 0.3145884504902456
Energy: 0.3667390638635211
Energy: 0.31458845049077855
Energy: 0.36673906385819177
Energy: 0.31458845049077855
Energy: 0.38225116942244264
Energy: 0.33266387330817493
Energy: 0.38225116942244264
Energy: 0.3326638727291717
Energy: 0.38225116942244264
Energy: 0.3326638712014094
Energy: 0.3199778219117196
Energy: 0.3211079731252244
Energy: 0.3199778219111866
Energy: 0.3211079731252244
Energy: 0.3199778219117196
Energy: 0.32110797312469147
Energy: 0.36303984501831066
Energy: 0.3251545533178476
Energy: 0.363039845015113
Energy: 0.3251545533178476
Energy: 0.3630398450167118
Energy: 0.3251545533178476
Energy: 0.33838199922322854
Energy: 0.46207194458129414
Energy: 0.33838199922322854
Energy: 0.4620719445802283
Energy: 0.33838199922322854
Energy: 0.46207194458076123
Energy: 0.35428575742349555
Energy: 0.3146447774663478
Energy: 0.35428575742349555
Energy: 0.3146447774663478
Energy: 0.35428575742402846
Energy: 0.3146447774658149
Energy: 0.3733534201877972
Energy: 0.33622294295603394
Energy: 0.3733534201867313
Energy: 0.33622294295656685
Energy: 0.3733534201872643
Energy: 0.336222942955501
Energy: 0.33859711631078826
Energy: 0.3129229815068174
Energy: 0.3385971163113212
Energy: 0.3129222801718999
Energy: 0.33859711631078826
Energy: 0.312920269788883
Energy: 0.38464059420321867
Energy: 0.3118129211687992
Energy: 0.38464059420428454
Energy: 0.31181292116826625
Energy: 0.38464059420268576
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Energy: 0.3940244602793737
Energy: 0.3823335076027076
Energy: 0.394024460277242
Energy: 0.38233320949041394
Energy: 0.39402446027511023
Energy: 0.38233258251669044
Energy: 0.31153282753126427
Energy: 0.2812833729428776
Energy: 0.31153282753126427
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Energy: 0.31153282753073136
Energy: 0.28128337294181166
Energy: 0.44951530883898533
Energy: 0.2975348488530658
Energy: 0.44951530883791935
Energy: 0.2975348488541317
Energy: 0.4495153088373864
Energy: 0.2975348488535987
Energy: 0.33911985384457854
Energy: 0.36512099582836327
Energy: 0.33911985384457854
Energy: 0.36512099582409985
Energy: 0.33911985384457854
Energy: 0.36512099582676444
Energy: 0.3113261088114733
Energy: 0.3255510466281934
Energy: 0.31132610881094036
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Energy: 0.32555104662872636
Energy: 0.2932311591246592
Energy: 0.44709225150870435
Energy: 0.293231159111336
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Energy: 0.29323115909268344
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Energy: 0.32366987028359495
Energy: 0.3286216856935144
Energy: 0.32366987028359495
Energy: 0.32862168467925346
Energy: 0.3236698702841279
Energy: 0.32862168229972516
Energy: 0.311486108074733
Energy: 0.26003096358609734
Energy: 0.311486108074733
Energy: 0.2600309635844986
Energy: 0.31148610807579885
Energy: 0.260030963588229
Energy: 0.34465884933130575
Energy: 0.37397881768073477
Energy: 0.3446588493190484
Energy: 0.37397881768233354
Energy: 0.3446588492902702
Energy: 0.3739788176849982
Energy: 0.311121475612177
Energy: 0.19172282255491713
Energy: 0.31112147561271
Energy: 0.19172282255438422
Energy: 0.3111214756116441
Energy: 0.19172282255491713
Energy: 0.31298163221312236
Energy: 0.32618123807502125
Energy: 0.31298163221365527
Energy: 0.32618123807555427
Energy: 0.31298163221312236
Energy: 0.32618123807502125
Energy: 0.3605778214472355
Energy: 0.3124053303050395
Energy: 0.3605472414834057
Energy: 0.3124053303071712
Energy: -0.8062220118019154
Energy: 0.31240533030610534
Energy: 0.29792961179184896
Energy: 0.19400130832714205
Energy: 0.2979189322153686
Energy: 0.1940013083282079
Energy: 0.2972458696288773
Energy: 0.19400130832767498
Energy: 0.3117635690181725
Energy: 0.3492592774796353
Energy: 0.3117635690176395
Energy: 0.34925927747164137
Energy: 0.3117635690181725
Energy: 0.3492592774620971
Energy: 0.371173625386816
Energy: 0.31028871226719773
Energy: 0.3711736253873489
Energy: 0.31028871226719773
Energy: 0.371173625386816
Energy: 0.31028871226719773
Energy: 0.3582083704488994
Energy: 0.33923901008561824
Energy: 0.35820831301082007
Energy: 0.33923901008615115
Energy: 0.35820817736970945
Energy: 0.33923901008615115
Energy: 0.33857765159451575
Energy: 0.38094985188719127
Energy: 0.33857765159451575
Energy: 0.3809498518877242
Energy: 0.33857765159504866
Energy: 0.38094985188665836
Energy: 0.4118163113292985
Energy: 0.3105474760291033
Energy: 0.4118163113292985
Energy: 0.3105474760296362
Energy: 0.41181631132983143
Energy: 0.3105474760291033
Energy: 0.35786881505356055
Energy: 0.34148390609605167
Energy: 0.3578688150524947
Energy: 0.34170110937893966
Energy: 0.3578688150429019
Energy: 0.342184477679586
Energy: 0.39646749283216576
Energy: 0.3839853341557212
Energy: 0.3964674657447854
Energy: 0.38398533415518826
Energy: 0.3964673929459458
Energy: 0.3839853341557212
Energy: 0.37518019560536603
Energy: 0.32603893437095854
Energy: 0.37518019560536603
Energy: 0.32603893437095854
Energy: 0.37518019560536603
Energy: 0.32603893437095854
Energy: 0.298892480864277
Energy: 0.3766504326854738
Energy: 0.29889248086321113
Energy: 0.37665043268600673
Energy: 0.2988924808637441
Energy: 0.37665043268227616

minimum gb energy = -0.8062220118019154 eV
minimum distance =  2.36545136445328 Angstroms
sigma value = 67


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

Energy: 0.3792780222450005
Energy: 0.460895245876608
Energy: 0.37927802224272245
Energy: 0.460895245876608
Energy: 0.3792780222412037
Energy: 0.460895245876608
Energy: 0.4599662376771961
Energy: 0.4550248821511467
Energy: 0.45996623767643674
Energy: 0.4550248821511467
Energy: 0.45996623767643674
Energy: 0.4550248821511467
Energy: 0.513312809236766
Energy: 0.4555000294280663
Energy: 0.5133128092382848
Energy: 0.4555000294280663
Energy: 0.5133128092382848
Energy: 0.4555000294280663
Energy: 0.4034626870222365
Energy: 0.5408480815501364
Energy: 0.40346268702147703
Energy: 0.5408480815508958
Energy: 0.4034626870229958
Energy: 0.5408480815501364
Energy: 0.4909067667965608
Energy: 0.4665746430103236
Energy: 0.4909067667965608
Energy: 0.46657464300956425
Energy: 0.4909067667958015
Energy: 0.46657464300956425
Energy: 0.5207799135989228
Energy: 0.4669895083849505
Energy: 0.5207799135989228
Energy: 0.4669895083849505
Energy: 0.5207799135989228
Energy: 0.4669895083849505
Energy: 0.3529859264321148
Energy: 0.5311711232374655
Energy: 0.3529859264321148
Energy: 0.5311711232374655
Energy: 0.352985926430596
Energy: 0.5311711232382248
Energy: 0.583669882803183
Energy: 0.431762537802492
Energy: 0.5836698828016642
Energy: 0.4317625378002139
Energy: 0.5836698828016642
Energy: 0.4317625378009733
Energy: 0.5367446537049053
Energy: 0.5360484348015834
Energy: 0.5367446537049053
Energy: 0.5360484348015834
Energy: 0.536744653706424
Energy: 0.5360484348015834
Energy: 0.4697942289742575
Energy: 0.4961270621272375
Energy: 0.4697942289742575
Energy: 0.49612706212799684
Energy: 0.4697942289742575
Energy: 0.4961270621272375
Energy: 0.5185219824937259
Energy: 0.4664123325962677
Energy: 0.5185219824937259
Energy: 0.46641233259778636
Energy: 0.5185219824937259
Energy: 0.46641233259702697
Energy: 0.46795890448307537
Energy: 0.49403167390543307
Energy: 0.46795890448307537
Energy: 0.49403167390543307
Energy: 0.46795890448307537
Energy: 0.49403167390543307
Energy: 0.46880310177382417
Energy: 0.47305862268323057
Energy: 0.46880310177306483
Energy: 0.47305862268474924
Energy: 0.46880310177306483
Energy: 0.4730586226839899
Energy: 0.5048431554502065
Energy: 0.4149407026662557
Energy: 0.5048431554479286
Energy: 0.4149407026662557
Energy: 0.504843155448688
Energy: 0.4149407026677744
Energy: 0.4173254808355314
Energy: 0.4601944631145245
Energy: 0.4173254808347721
Energy: 0.4601944631145245
Energy: 0.4173254808347721
Energy: 0.4601944631145245
Energy: 0.4132643779406507
Energy: 0.48318870184360024
Energy: 0.4132643779414101
Energy: 0.48318870184360024
Energy: 0.41326437793989135
Energy: 0.48318870184435964
Energy: 0.5323569852949418
Energy: 0.414275615118963
Energy: 0.5323569852843106
Energy: 0.4142756151182036
Energy: 0.5323569852760267
Energy: 0.414275615118963
Energy: 0.3922882824645021
Energy: 0.4682725261748699
Energy: 0.3922882824645021
Energy: 0.4682725261748699
Energy: 0.39228828246526143
Energy: 0.4682725261748699
Energy: 0.3523754133457562
Energy: 0.5102249030805043
Energy: 0.3523754133442375
Energy: 0.5102249030805043
Energy: 0.3523754133465156
Energy: 0.5102249030820231
Energy: 0.7794359538094839
Energy: 0.45140855247169626
Energy: 0.7794359538072058
Energy: 0.45140855247169626
Energy: 0.779435953807965
Energy: 0.45140855247169626
Energy: 0.4672112118149604
Energy: 0.48284661876962254
Energy: 0.4672111004171976
Energy: 0.48284661876962254
Energy: 0.4672108915899608
Energy: 0.48284661876962254
Energy: 0.44076477171111317
Energy: 0.5321297277232344
Energy: 0.4407647717141507
Energy: 0.5321297277171595
Energy: 0.4407647717133913
Energy: 0.5321297277232344
Energy: 0.5017139136649688
Energy: 0.45564327570809804
Energy: 0.5017139136642095
Energy: 0.45564327570809804
Energy: 0.5017139136642095
Energy: 0.45564327570809804

minimum gb energy = 0.3523754133442375 eV
minimum distance =  2.37016030820436 Angstroms
sigma value = 33


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

Energy: 0.4956957170080093
Energy: 0.606763032748221
Energy: 0.4956957170070459
Energy: 0.606763032748221
Energy: 0.4956957170065641
Energy: 0.606763032748221
Energy: 0.5431618428779006
Energy: 0.5060521301054038
Energy: 0.5431618428798275
Energy: 0.5060521301058856
Energy: 0.5431618428774189
Energy: 0.5060521301054038
Energy: 0.5443241312692958
Energy: 0.5032295570846214
Energy: 0.5443241312712226
Energy: 0.5032295570851032
Energy: 0.5443241312717044
Energy: 0.5032295570846214
Energy: 0.499367636644999
Energy: 0.6456074520947065
Energy: 0.49936763664548073
Energy: 0.6456074520961518
Energy: 0.49936763664548073
Energy: 0.6456074520951882
Energy: 0.6115021967545374
Energy: 0.5067903857056042
Energy: 0.6115021967545374
Energy: 0.5067903857056042
Energy: 0.6115021967540557
Energy: 0.5067903857056042
Energy: 0.5810774726805125
Energy: 0.6829555867890372
Energy: 0.581076871784433
Energy: 0.5915309894603255
Energy: 0.5810752916997118
Energy: 0.682955586787592
Energy: 0.4931343889881587
Energy: 0.6406043695017478
Energy: 0.4931343889876769
Energy: 0.6406043695041563
Energy: 0.4931343889881587
Energy: 0.6406043695041563
Energy: 0.6415884237343346
Energy: 0.5917354840657439
Energy: 0.6415884237333711
Energy: 0.5917354840657439
Energy: 0.6415884237338528
Energy: 0.5917354840652623
Energy: 0.5799032564288379
Energy: 0.5979214425920297
Energy: 0.5799032564288379
Energy: 0.5979214425915481
Energy: 0.5799032564288379
Energy: 0.5979214425896212
Energy: 0.13802196720515506
Energy: 0.5978155876276686
Energy: 0.1380219672123809
Energy: 0.5978155876276686
Energy: 0.1380219672066002
Energy: 0.5978155876271869
Energy: 0.6202779868676022
Energy: 0.5067800198730804
Energy: 0.6202779868666388
Energy: 0.5067800198754889
Energy: 0.620277986866157
Energy: 0.5067800198750072
Energy: 0.5484239915733159
Energy: 0.5843124151306744
Energy: 0.5484239915737977
Energy: 0.5843124151311563
Energy: 0.5484239915737977
Energy: 0.5843124151306744
Energy: 0.1533067509275883
Energy: 0.5437078390087638
Energy: 0.1533067509275883
Energy: 0.5437078390087638
Energy: 0.15330675092807
Energy: 0.5437078390087638
Energy: 0.5810289820455646
Energy: 0.5059532319622734
Energy: 0.5810289820450829
Energy: 0.5059532319613099
Energy: 0.5810289820455646
Energy: 0.5059532319622734
Energy: 0.5283559376278745
Energy: 0.5697157634728387
Energy: 0.5283559376259476
Energy: 0.5697157634728387
Energy: 0.528355937628838
Energy: 0.5697157634728387
Energy: 0.49746150051417026
Energy: 0.5779773189859505
Energy: 0.49746150051609717
Energy: 0.5779773189864322
Energy: 0.4974615005156155
Energy: 0.5779773189806516
Energy: 0.6137264472080843
Energy: 0.5041418428718847
Energy: 0.6137264472080843
Energy: 0.5041418428709212
Energy: 0.6137264472071208
Energy: 0.5041418428723664
Energy: 0.5585190487916543
Energy: 0.600033791307356
Energy: 0.5585190487873187
Energy: 0.6000337608657018
Energy: 0.5585190487810563
Energy: 0.6000336906444022
Energy: 0.534057510829137
Energy: 0.6019455362353642
Energy: 0.534057510829137
Energy: 0.6019455361925344
Energy: 0.534057510829137
Energy: 0.6019455360634758
Energy: 0.6425859147717083
Energy: 0.5062549755622132
Energy: 0.6425859147717083
Energy: 0.5062549755622132
Energy: 0.6425859147717083
Energy: 0.5062549755612499
Energy: 0.4931538000586217
Energy: 0.5812065052304471
Energy: 0.4931538000586217
Energy: 0.5812065052280386
Energy: 0.4931538000581399
Energy: 0.5812065052275569
Energy: 0.528255077343912
Energy: 0.5984016732580439
Energy: 0.5282550773419852
Energy: 0.5984016732580439
Energy: 0.528255077343912
Energy: 0.5984016732585257
Energy: 0.6511974622517501
Energy: 0.5069580094666682
Energy: 0.6511974612376734
Energy: 0.5069580094695587
Energy: 0.6511974581694744
Energy: 0.50695800946715
Energy: 0.13768875740431458
Energy: 0.581705655520959
Energy: 0.13768875740383282
Energy: 0.5817056555214407
Energy: 0.13768875740383282
Energy: 0.5817056555204774
Energy: 0.5505910583878446
Energy: 0.5630697666887307
Energy: 0.5505910583883263
Energy: 0.5630697666901758
Energy: 0.5505910583892898
Energy: 0.5630697666901758
Energy: 0.7103730860915068
Energy: 0.5599062466020561
Energy: 0.710373086091025
Energy: 0.5599062466020561
Energy: 0.7103730860915068
Energy: 0.5599062466010926
Energy: 0.49179964499845624
Energy: 0.59804892927427
Energy: 0.49179964499845624
Energy: 0.59804892927427
Energy: 0.49179964499893786
Energy: 0.5980489292737883
Energy: 0.49613140430330815
Energy: 0.6264957650446645
Energy: 0.49613140430427155
Energy: 0.626491691955101
Energy: 0.496131404305235
Energy: 0.6264796284878292
Energy: 0.6444830652411153
Energy: 0.5073292854149128
Energy: 0.6444830652440058
Energy: 0.5073292854144311
Energy: 0.6444830652420789
Energy: 0.5073292854149128
Energy: 0.5013487895809662
Energy: 0.6307114947046656
Energy: 0.5013487895790394
Energy: 0.6307114947051473
Energy: 0.5013487895809662
Energy: 0.6307114947104462
Energy: 0.5786478236879329
Energy: 0.5984133910929297
Energy: 0.5786473782162566
Energy: 0.5984133453988736
Energy: 0.5786463065974861
Energy: 0.5984132011325975
Energy: 0.6046723319634304
Energy: 0.506061652993032
Energy: 0.6046723319639121
Energy: 0.5060616529935137
Energy: 0.6046723319639121
Energy: 0.5060616529939955
Energy: 0.5305896394958322
Energy: 0.576774438027268
Energy: 0.5305896394963139
Energy: 0.5767744380277499
Energy: 0.5305896394953504
Energy: 0.576774438025823
Energy: 0.5293121466571342
Energy: 0.5054858736350857
Energy: 0.5293121466576161
Energy: 0.5054858736350857
Energy: 0.5293121466576161
Energy: 0.5054858736355674
Energy: 0.5810649660141277
Energy: 0.5038809994723871
Energy: 0.5810649660146094
Energy: 0.5038809994719053
Energy: 0.5810649660141277
Energy: 0.5038809994723871
Energy: 0.15879912508098268
Energy: 0.5404162565920695
Energy: 0.15879912508387306
Energy: 0.540416256591106
Energy: 0.1587991250833913
Energy: 0.540416256591106
Energy: 0.5514992221191248
Energy: 0.534886766702884
Energy: 0.5514992221191248
Energy: 0.5348867667019208
Energy: 0.5514992221186431
Energy: 0.5348867667033659

minimum gb energy = 0.13768875740383282 eV
minimum distance =  2.36701098821878 Angstroms
sigma value = 41


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

Energy: 0.7432745463143113
Energy: 0.7595604427385323
Energy: 0.7432745463156266
Energy: 0.7595604427385323
Energy: 0.7432745463143113
Energy: 0.7595604427385323
Energy: 0.7912623950566186
Energy: 0.7585633572835784
Energy: 0.7912623950566186
Energy: 0.7585633572835784
Energy: 0.7912623950579339
Energy: 0.7585633572835784
Energy: 0.8314937085585467
Energy: 0.7561274883785346
Energy: 0.8314937085572313
Energy: 0.7561274883798498
Energy: 0.8314937085585467
Energy: 0.7561274883798498
Energy: 0.7382676547857482
Energy: 0.8463123248314338
Energy: 0.7382676547857482
Energy: 0.8463123248314338
Energy: 0.7382676547857482
Energy: 0.8463123248327491
Energy: 0.8298018008429906
Energy: 0.7635588966389494
Energy: 0.8298018008416753
Energy: 0.7635588966389494
Energy: 0.8298018008429906
Energy: 0.7635588966389494
Energy: 0.8511429308117784
Energy: 0.8395802426398374
Energy: 0.8511429308117784
Energy: 0.8395802426398374
Energy: 0.8511429308117784
Energy: 0.8395802426385222
Energy: 0.7367533251044261
Energy: 0.8001546345060994
Energy: 0.7367533251044261
Energy: 0.8001546345060994
Energy: 0.7367533251044261
Energy: 0.8001546345060994
Energy: 0.7611364478335348
Energy: 0.7585811641970801
Energy: 0.7611364478322196
Energy: 0.7585811641970801
Energy: 0.7611364478335348
Energy: 0.7585811641970801
Energy: 0.791417683042995
Energy: 0.7832692220838202
Energy: 0.791417683042995
Energy: 0.7832692220825049
Energy: 0.791417683042995
Energy: 0.7832692220838202
Energy: 0.7376989723571215
Energy: 0.7962933312127503
Energy: 0.7376989723571215
Energy: 0.796293331211435
Energy: 0.7376989723558062
Energy: 0.796293331211435
Energy: 0.784887445843694
Energy: 0.7567807852176083
Energy: 0.784887445843694
Energy: 0.7567807852176083
Energy: 0.784887445843694
Energy: 0.7567807852176083
Energy: 0.7870408654879018
Energy: 0.7575120970590586
Energy: 0.7870408654879018
Energy: 0.7575120970603739
Energy: 0.7870408654879018
Energy: 0.7575120970603739
Energy: 0.7632525792523575
Energy: 0.8464383367962577
Energy: 0.7632525792523575
Energy: 0.8464383367949424
Energy: 0.7632525792523575
Energy: 0.8464383367949424
Energy: 0.8287807897343933
Energy: 0.758554550704412
Energy: 0.8287807897343933
Energy: 0.758554550704412
Energy: 0.8287807897343933
Energy: 0.758554550704412

minimum gb energy = 0.7367533251044261 eV
minimum distance =  2.35007551327718 Angstroms
sigma value = 11


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

Energy: 0.8921054277953598
Energy: 0.9507993492032127
Energy: 0.8921054277947821
Energy: 0.9507993492026348
Energy: 0.8921054277947821
Energy: 0.9507993492026348
Energy: 0.9301702512515664
Energy: 0.8990725972660728
Energy: 0.9301702512486775
Energy: 0.8990725972678064
Energy: 0.9301702512509885
Energy: 0.8990725972660728
Energy: 1.0315138107760218
Energy: 0.9193421707385773
Energy: 1.0315138107760218
Energy: 0.9193421707397328
Energy: 1.0315138107748663
Energy: 0.9193421707385773
Energy: 0.9149488426038483
Energy: 0.9855601087041743
Energy: 0.9149488426038483
Energy: 0.9855601087053301
Energy: 0.9149488426038483
Energy: 0.9855601087041743
Energy: 0.9961448678112254
Energy: 0.9393163963774941
Energy: 0.9961448632336908
Energy: 0.9393163963780717
Energy: 0.9961448477540885
Energy: 0.9393163963774941
Energy: 0.9132030584015053
Energy: 0.9423335295083609
Energy: 0.9132030584026609
Energy: 0.9423335295100943
Energy: 0.9132030584026609
Energy: 0.9423335295083609
Energy: 0.9321635177117374
Energy: 1.0313050739010126
Energy: 0.9321635177117374
Energy: 1.0313050739004344
Energy: 0.9321635177117374
Energy: 1.031305073899279
Energy: 0.9774749048922952
Energy: 0.8994344046328965
Energy: 0.9774749048911396
Energy: 0.8994344046328965
Energy: 0.9774749048911396
Energy: 0.8994344046328965
Energy: 0.9661238790235063
Energy: 0.9000782209311909
Energy: 0.9661238790235063
Energy: 0.9000782209317686
Energy: 0.9661238790235063
Energy: 0.9000782209311909
Energy: 0.9302716695065202
Energy: 0.9868802245845893
Energy: 0.9302716695065202
Energy: 0.986880224520481
Energy: 0.9302716695065202
Energy: 0.9868802243056484
Energy: 0.9487653786438331
Energy: 0.9431595914263816
Energy: 0.948765378644411
Energy: 0.9431595914217592
Energy: 0.948765378644411
Energy: 0.9431595914252261
Energy: 0.9686611377011201
Energy: 0.9367984761531976
Energy: 0.9686611377011201
Energy: 0.936798476154353
Energy: 0.9686611377016978
Energy: 0.936798476154353
Energy: 0.9141366918151042
Energy: 0.9536450877912774
Energy: 0.914136691815682
Energy: 0.9536450877912774
Energy: 0.9141366918162597
Energy: 0.9536450877906996
Energy: 1.034736279587457
Energy: 0.8928399876824565
Energy: 1.0347362795880348
Energy: 0.8928399876818787
Energy: 1.034736279586879
Energy: 0.8928399876836122
Energy: 0.9738386490887017
Energy: 0.9202257026856593
Energy: 0.9738386490892795
Energy: 0.9202257026850814
Energy: 0.9738386490892795
Energy: 0.9202257026850814
Energy: 0.9301339091803247
Energy: 0.9728918218594707
Energy: 0.9301339091809026
Energy: 0.9728918218594707
Energy: 0.9301339091809026
Energy: 0.9728918218565819
Energy: 0.9480671066704075
Energy: 0.9208536920010778
Energy: 0.9480671066709854
Energy: 0.9208536920010778
Energy: 0.9480671066709854
Energy: 0.9208536920022333
Energy: 0.9674299142177647
Energy: 0.9717442161334936
Energy: 0.9674299142177647
Energy: 0.9717442161334936
Energy: 0.9674299142177647
Energy: 0.9717442161329157
Energy: 0.9261397077872509
Energy: 0.959195590658025
Energy: 0.9261397077872509
Energy: 0.959195590658025
Energy: 0.9261397077866732
Energy: 0.9591955906574471
Energy: 1.034896407501298
Energy: 0.9356733530981771
Energy: 1.034896407501876
Energy: 0.935673353098755
Energy: 1.034896407501298
Energy: 0.935673353098755
Energy: 0.9104746327200729
Energy: 0.9756731192367069
Energy: 0.9104746327189174
Energy: 0.9756731192361291
Energy: 0.9104746327194952
Energy: 0.9756731192367069
Energy: 0.8988172066387635
Energy: 1.0230842051678037
Energy: 0.8988172066399192
Energy: 1.0230842051678037
Energy: 0.8988172066387635
Energy: 1.0230842051672262
Energy: 1.0006715052210278
Energy: 0.9208451334067859
Energy: 1.0006715052204502
Energy: 0.9208451334067859
Energy: 1.0006715052204502
Energy: 0.9208451334073637
Energy: 0.9925854972676068
Energy: 0.9018215827528658
Energy: 0.9925854972681847
Energy: 0.9018215827597994
Energy: 0.9925854972670289
Energy: 0.9018215827621106
Energy: 0.928573053538337
Energy: 0.9829284655765278
Energy: 0.9285730535377591
Energy: 0.9829284655730611
Energy: 0.9285730535377591
Energy: 0.9829284655713278
Energy: 0.9979935386620984
Energy: 0.9341626399095202
Energy: 0.9979935386615207
Energy: 0.9341626399095202
Energy: 0.9979935386615207
Energy: 0.9341626399095202
Energy: 0.9249133959782335
Energy: 1.042754960547157
Energy: 0.9249133959776557
Energy: 1.0427549605477349
Energy: 0.9249133959782335
Energy: 1.0427549605488904
Energy: 0.8855063697572074
Energy: 0.9625581553602182
Energy: 0.8855063697566294
Energy: 0.9625581553602182
Energy: 0.8855063697572074
Energy: 0.9625581553602182
Energy: 0.9881218857520304
Energy: 0.9118470857163508
Energy: 0.9881218857526082
Energy: 0.9118470857157731
Energy: 0.9881218857514525
Energy: 0.9118470857151952
Energy: 0.9412056601814248
Energy: 0.9373526788540266
Energy: 0.9412056601825805
Energy: 0.9373526788534489
Energy: 0.9412056601820027
Energy: 0.9373526788540266
Energy: 0.9281399738301267
Energy: 1.027696135429379
Energy: 0.9281399738307046
Energy: 1.0276961354288014
Energy: 0.9281399738301267
Energy: 1.0276961354288014

minimum gb energy = 0.8855063697566294 eV
minimum distance =  2.26554407401969 Angstroms
sigma value = 57


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

Energy: 1.1484331181706298
Energy: 1.1609860613455345
Energy: 1.1484331181706298
Energy: 1.1609860613465628
Energy: 1.1484331181706298
Energy: 1.1609860613465628
Energy: 0.9968902540375657
Energy: 1.0360116119471119
Energy: 0.9968902540375657
Energy: 1.0360116119471119
Energy: 0.9968902540375657
Energy: 1.0360116119460838
Energy: 1.1636186463143952
Energy: 1.0484690528200373
Energy: 1.163618646312339
Energy: 1.0484690528210656
Energy: 1.163618646312339
Energy: 1.0484690528210656
Energy: 0.9949270186378556
Energy: 1.0758144873429873
Energy: 0.9949270186378556
Energy: 1.0758144873429873
Energy: 0.9949270186388839
Energy: 1.079605997489644
Energy: 1.1633791942682765
Energy: 1.0484614465209665
Energy: 1.1633791942672485
Energy: 1.0484614465209665
Energy: 1.1633791942682765
Energy: 1.0484614465209665
Energy: 0.9969826454398815
Energy: 1.0998432608429594
Energy: 0.9969826454398815
Energy: 1.0998432608419313
Energy: 0.9969826454398815
Energy: 1.0998432608419313
Energy: 1.1484331181716578
Energy: 1.1609860613465628
Energy: 1.1484331181716578
Energy: 1.1609860613445064
Energy: 1.1484331181716578
Energy: 1.1609860613455345
Energy: 0.9968902540365374
Energy: 1.0360116119471119
Energy: 0.9968902540365374
Energy: 1.0360116119471119
Energy: 0.9968902540355095
Energy: 1.0360116119471119
Energy: 1.1636186463133673
Energy: 1.0484690528200373
Energy: 1.1636186463133673
Energy: 1.0484690528200373
Energy: 1.163618646312339
Energy: 1.0484690528200373
Energy: 0.9949270186388839
Energy: 1.1149610853914482
Energy: 0.9949270186378556
Energy: 1.1149610853924767
Energy: 0.9949270186388839
Energy: 1.143233799195249
Energy: 1.1633791942682765
Energy: 1.0484614465209665
Energy: 1.1633791942672485
Energy: 1.0484614465209665
Energy: 1.1633791942682765
Energy: 1.0484614465209665
Energy: 0.9969826454409098
Energy: 1.0998432608419313
Energy: 0.9969826454398815
Energy: 1.0998432608419313
Energy: 0.9969826454409098
Energy: 1.0998432608419313
Energy: 1.1484331181716578
Energy: 1.160986061347591
Energy: 1.1484331181706298
Energy: 1.1609860613465628
Energy: 1.1484331181706298
Energy: 1.1609860613455345
Energy: 0.9968902540375657
Energy: 1.0360116119471119
Energy: 0.9968902540365374
Energy: 1.0360116119471119
Energy: 0.9968902540355095
Energy: 1.0360116119481402
Energy: 1.163618646312339
Energy: 1.0484690528200373
Energy: 1.163618646312339
Energy: 1.0484690528210656
Energy: 1.163618646312339
Energy: 1.0484690528210656
Energy: 0.9949270186378556
Energy: 1.1149610853914482
Energy: 0.9949270186378556
Energy: 1.1149610853914482
Energy: 0.9949270186378556
Energy: 1.123620393856674
Energy: 1.163379194269305
Energy: 1.0484614465209665
Energy: 1.1633791942672485
Energy: 1.0484614465209665
Energy: 1.1633791942682765
Energy: 1.0484614465209665

minimum gb energy = 0.9949270186378556 eV
minimum distance =  2.3141883094582 Angstroms
sigma value = 9


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

Energy: 1.098396466589657
Energy: 1.0258016056401136
Energy: 1.098396466591336
Energy: 1.0258016056401136
Energy: 1.0983964665921755
Energy: 1.0258016056401136
Energy: 1.034907839175015
Energy: 1.107548166518967
Energy: 1.0349078391758546
Energy: 1.1075481665172882
Energy: 1.0349078391758546
Energy: 1.107548166515609
Energy: 1.0949122699307612
Energy: 1.0173383683222605
Energy: 1.09491226993244
Energy: 1.0173383683222605
Energy: 1.0949122699316005
Energy: 1.0173383683222605
Energy: 1.0177686346895345
Energy: 1.107349017424381
Energy: 1.0177686346895345
Energy: 1.1073490174227023
Energy: 1.017768634688695
Energy: 1.1073490174235416
Energy: 1.0723442721753405
Energy: 1.0085341485723205
Energy: 1.072344272177859
Energy: 1.0085341483784702
Energy: 1.072344272177859
Energy: 1.0085341479119327
Energy: 1.095667298660945
Energy: 1.023354951260647
Energy: 1.0956672986617844
Energy: 1.023354951260647
Energy: 1.095667298660945
Energy: 1.0233549512614866
Energy: 1.015101750255126
Energy: 1.1301949420639086
Energy: 1.015101750255126
Energy: 1.130194942064748
Energy: 1.015101750255126
Energy: 1.130194942064748
Energy: 1.0108637624216004
Energy: 1.0976784639668231
Energy: 1.0108637624216004
Energy: 1.0976784639659838
Energy: 1.0108637624199213
Energy: 1.0976784639676627
Energy: 1.125855950172708
Energy: 1.0706763462101663
Energy: 1.125855950172708
Energy: 1.0706763462110058
Energy: 1.1258559501735474
Energy: 1.0706763462110058
Energy: 1.0173650994209427
Energy: 1.0664403380331726
Energy: 1.0173650994201033
Energy: 1.0664403380331726
Energy: 1.0173650994201033
Energy: 1.0664403380331726
Energy: 1.1051745563093125
Energy: 1.0505565784673114
Energy: 1.0974598255002919
Energy: 1.050556578468151
Energy: 1.0974598254994523
Energy: 1.050556578468151
Energy: 1.147247410995601
Energy: 1.023793735729071
Energy: 1.147247410995601
Energy: 1.0237937357299105
Energy: 1.1472474109964406
Energy: 1.0237937357299105
Energy: 1.0194547694577145
Energy: 1.094555376481695
Energy: 1.0194547694577145
Energy: 1.094555376481695
Energy: 1.0194547694577145
Energy: 1.0945553764825346
Energy: 1.0940982735503462
Energy: 1.0992664139860726
Energy: 1.0940982735503462
Energy: 1.099266413985233
Energy: 1.0940982735503462
Energy: 1.099266413985233
Energy: 1.178594876664815
Energy: 1.022527800883618
Energy: 1.1785948766639753
Energy: 1.022527800883618
Energy: 1.178594876661457
Energy: 1.022527800883618
Energy: 1.0131768437589603
Energy: 1.1352819219969197
Energy: 1.0131768437463677
Energy: 1.135281921997759
Energy: 1.0131768437320963
Energy: 1.1352819219985986
Energy: 1.0756446644936966
Energy: 1.1018326141993648
Energy: 1.0756446644953754
Energy: 1.1018326141985253
Energy: 1.0756446644936966
Energy: 1.1018326142002044
Energy: 1.0562999833001898
Energy: 1.0233711065318116
Energy: 1.0563749220389815
Energy: 1.0233711065318116
Energy: 1.0563205141141094
Energy: 1.0233711065309719
Energy: 1.0163861255998345
Energy: 1.0960637068313857
Energy: 1.0163861255998345
Energy: 1.096063706830546
Energy: 1.016386125600674
Energy: 1.0960637068313857
Energy: 1.0586329959576728
Energy: 1.0216915287068506
Energy: 1.0586329959576728
Energy: 1.0216915287076902
Energy: 1.0586329959576728
Energy: 1.0216915287076902
Energy: 1.1381374412465963
Energy: 1.1408298213903694
Energy: 1.1381374412474357
Energy: 1.1408298213903694
Energy: 1.1381374412465963
Energy: 1.1408298213903694

minimum gb energy = 1.0085341479119327 eV
minimum distance =  2.29531791106649 Angstroms
sigma value = 27


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

Energy: 1.106284428356042
Energy: 1.025013534898423
Energy: 1.1062844283546265
Energy: 1.025013534898423
Energy: 1.1062844283567494
Energy: 1.0250135348920542
Energy: 1.1901421954684406
Energy: 1.0653654720075738
Energy: 1.1901421954663176
Energy: 1.0653654720075738
Energy: 1.1901421954670255
Energy: 1.0653654720075738
Energy: 1.0751916158760288
Energy: 1.077686637949312
Energy: 1.0751916158760288
Energy: 1.0776866379486043
Energy: 1.0751916158767363
Energy: 1.0776866379486043
Energy: 1.1545023841743633
Energy: 1.0837386091386856
Energy: 1.1545023841743633
Energy: 1.0837386091379781
Energy: 1.1545023841736557
Energy: 1.0837386091386856
Energy: 1.13038126400469
Energy: 1.1447879534290726
Energy: 1.13038126400469
Energy: 1.1447879534297802
Energy: 1.13038126400469
Energy: 1.144787953428365
Energy: 1.078553504600868
Energy: 1.1009529993479272
Energy: 1.0785535015727938
Energy: 1.1009529993486347
Energy: 1.0785534938926014
Energy: 1.1009529993486347
Energy: 1.0742004120271196
Energy: 1.1449145579331748
Energy: 1.0742004120271196
Energy: 1.1449145579331748
Energy: 1.0742004120271196
Energy: 1.144914557932467
Energy: 1.098555223600246
Energy: 1.1230271014683715
Energy: 1.0985552236009535
Energy: 1.1230271014683715
Energy: 1.098555223600246
Energy: 1.1230271014676638
Energy: 1.1395324862180463
Energy: 1.0676583470385013
Energy: 1.1395324862173384
Energy: 1.0676583470377936
Energy: 1.1395324862173384
Energy: 1.0676583470385013
Energy: 1.0788382579685616
Energy: 1.0553424766129873
Energy: 1.078838257965731
Energy: 1.0553424766144028
Energy: 1.0788382579671463
Energy: 1.0553424766122799
Energy: 1.1533317079881442
Energy: 1.0306292116519744
Energy: 1.1533317079881442
Energy: 1.0306292116540974
Energy: 1.1533317079874363
Energy: 1.0306292116498512
Energy: 1.0650950677664208
Energy: 1.067223809945034
Energy: 1.0650950677671283
Energy: 1.067223809945034
Energy: 1.065095067765713
Energy: 1.0672238099457414
Energy: 1.1212627755641251
Energy: 1.0678514272868378
Energy: 1.1212627755641251
Energy: 1.0678514272868378
Energy: 1.1212627755641251
Energy: 1.0678514272868378
Energy: 1.0735209742437681
Energy: 1.1403087687468247
Energy: 1.0735209742437681
Energy: 1.140308768746117
Energy: 1.0735209742444758
Energy: 1.1403087687475324
Energy: 1.0977721612747868
Energy: 1.101449194992223
Energy: 1.0977721612747868
Energy: 1.1014491949964689
Energy: 1.0977721612754943
Energy: 1.1014491949893923
Energy: 1.0808914687268496
Energy: 1.144418647964666
Energy: 1.0808914687268496
Energy: 1.1444186479639584
Energy: 1.0808914687261422
Energy: 1.1444186479639584
Energy: 1.1375791665621025
Energy: 1.0826015772902866
Energy: 1.137579166560687
Energy: 1.0826015772902866
Energy: 1.1375791665621025
Energy: 1.0826015772902866
Energy: 1.0532697554787598
Energy: 1.0776561345787177
Energy: 1.0532697554773447
Energy: 1.0776561345787177
Energy: 1.0532697554787598
Energy: 1.0776561345765947
Energy: 1.0551681524227525
Energy: 1.0665671757364785
Energy: 1.0551681523626348
Energy: 1.0665671757371862
Energy: 1.055168152164591
Energy: 1.0665671757364785
Energy: 1.106284428356042
Energy: 1.025013534902669
Energy: 1.1062844283553341
Energy: 1.0250135349040839
Energy: 1.1062844283546265
Energy: 1.0250135348970075
Energy: 1.190142195467733
Energy: 1.0653654720068662
Energy: 1.1901421954670255
Energy: 1.0653654720075738
Energy: 1.1901421954670255
Energy: 1.0653654720075738
Energy: 1.0751916158753212
Energy: 1.077686637949312
Energy: 1.0751916158767363
Energy: 1.0776866379486043
Energy: 1.0751916158760288
Energy: 1.077686637949312
Energy: 1.1545023841757787
Energy: 1.0837386091393935
Energy: 1.154502384175071
Energy: 1.0837386091401011
Energy: 1.1545023841743633
Energy: 1.0837386091393935
Energy: 1.1303812640039823
Energy: 1.1447879534311955
Energy: 1.1303812640039823
Energy: 1.144787953430488
Energy: 1.13038126400469
Energy: 1.1447879534290726
Energy: 1.078553504607237
Energy: 1.1009529993486347
Energy: 1.0785535015812855
Energy: 1.1009529993493423
Energy: 1.078553494176946
Energy: 1.1009529993486347

minimum gb energy = 1.0250135348920542 eV
minimum distance =  2.2990859782016 Angstroms
sigma value = 19


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

Energy: 1.1526321799772339
Energy: 1.1028983901764875
Energy: 1.1526321799772339
Energy: 1.1028983901758767
Energy: 1.1526321799796773
Energy: 1.1028983901764875
Energy: 1.039840268900531
Energy: 1.0417733688593638
Energy: 1.0398402689017527
Energy: 1.0417733688587532
Energy: 1.0398402689023634
Energy: 1.0417733688593638
Energy: 1.0919580648540888
Energy: 1.02528425319243
Energy: 1.0919580648540888
Energy: 1.0252842531930408
Energy: 1.0919580648540888
Energy: 1.02528425319243
Energy: 1.0635163863521717
Energy: 1.0176386975938962
Energy: 1.0635163863527828
Energy: 1.0176386975938962
Energy: 1.0635163863521717
Energy: 1.0176386975938962
Energy: 1.039229327740628
Energy: 1.0339650889305232
Energy: 1.039229327741239
Energy: 1.0339650889305232
Energy: 1.0392293277418496
Energy: 1.0339650889299126
Energy: 1.0143634620159088
Energy: 1.0410130719436623
Energy: 1.0143634620152981
Energy: 1.0410130719442732
Energy: 1.0143634620152981
Energy: 1.0410130719454946
Energy: 1.0272790394290148
Energy: 1.0518993696203462
Energy: 1.0272790394284042
Energy: 1.051899369625233
Energy: 1.0272790394284042
Energy: 1.0518993696246224
Energy: 1.0401323878199522
Energy: 1.0591457575566368
Energy: 1.040132387820563
Energy: 1.0591457575566368
Energy: 1.0401323878193414
Energy: 1.0591457575578582
Energy: 1.0554674903410886
Energy: 1.0856177831361122
Energy: 1.0554674903386454
Energy: 1.0856177831361122
Energy: 1.0554674903252073
Energy: 1.0856177831367226
Energy: 1.0354363506628017
Energy: 1.0373896134756677
Energy: 1.0354363506634128
Energy: 1.0373896134756677
Energy: 1.03543635066158
Energy: 1.0373896134750569
Energy: 1.0324081771289988
Energy: 1.0827602220086494
Energy: 1.0324081771296094
Energy: 1.0827602220080388
Energy: 1.0324081771296094
Energy: 1.0827602220086494
Energy: 1.041871832966841
Energy: 1.0264026328214786
Energy: 1.0418718329680623
Energy: 1.0264026328214786
Energy: 1.0418718329680623
Energy: 1.0264026328208675
Energy: 1.0085885509555403
Energy: 1.0327173754070929
Energy: 1.0085885509579837
Energy: 1.0327173754064818
Energy: 1.0085885509555403
Energy: 1.0327173754070929
Energy: 1.0458578867579365
Energy: 0.9980058356184047
Energy: 1.0458578867585473
Energy: 0.9980058356184047
Energy: 1.0458578867585473
Energy: 0.9980058356190157
Energy: 1.0334084624432356
Energy: 1.0256613072071743
Energy: 1.0334084624438462
Energy: 1.0256613072065632
Energy: 1.0334084624432356
Energy: 1.0256613072059524
Energy: 1.100230061865384
Energy: 1.0303533607096225
Energy: 1.1002300618647731
Energy: 1.030353360708401
Energy: 1.1002300618647731
Energy: 1.0303533607096225
Energy: 1.0474609705611801
Energy: 1.060061161548502
Energy: 1.0474609705611801
Energy: 1.0600611615509454
Energy: 1.047460970561791
Energy: 1.060061161549113
Energy: 1.0635515906927377
Energy: 1.0425862559401264
Energy: 1.0635515906933484
Energy: 1.0425862559407373
Energy: 1.0635515906927377
Energy: 1.0425862559407373
Energy: 1.0264944195446715
Energy: 1.03349079858466
Energy: 1.0264944195446715
Energy: 1.03349079858466
Energy: 1.026494419542839
Energy: 1.03349079858466
Energy: 1.016959647319397
Energy: 0.9785658093202344
Energy: 1.0169596473206188
Energy: 0.9785658093202344
Energy: 1.0169596473206188
Energy: 0.9785658093202344
Energy: 1.038793193501119
Energy: 1.0579161473232355
Energy: 1.03879319350173
Energy: 1.0579161473238463
Energy: 1.03879319350173
Energy: 1.0579161473232355
Energy: 1.089327816586825
Energy: 1.0449670423213888
Energy: 1.0893278141085412
Energy: 1.044967042320778
Energy: 1.089327804904942
Energy: 1.0449670423219997
Energy: 1.0401454100938168
Energy: 1.0397694353058793
Energy: 1.0401454100938168
Energy: 1.03976943530649
Energy: 1.040145410093206
Energy: 1.0397694353052682
Energy: 1.0408784832469868
Energy: 1.0420883135212458
Energy: 1.0408784832488196
Energy: 1.0420883135200243
Energy: 1.040878483246376
Energy: 1.0420883135200243
Energy: 0.9747659666383701
Energy: 1.057271928346575
Energy: 0.9747659666395918
Energy: 1.057271928346575
Energy: 0.9747659666389809
Energy: 1.0572719283471859
Energy: 1.0265041373428112
Energy: 1.0672931420427818
Energy: 1.0265041373422006
Energy: 1.067293142042171
Energy: 1.0265041373422006
Energy: 1.067293142042171
Energy: 1.027623580786016
Energy: 1.0206120522527469
Energy: 1.027623580785405
Energy: 1.0206120522527469
Energy: 1.027623580786627
Energy: 1.0206120522527469
Energy: 1.0040571314490692
Energy: 1.0324287751927905
Energy: 1.004057131450291
Energy: 1.032428775194623
Energy: 1.0040571314484585
Energy: 1.0324287751934011
Energy: 1.0398336546571667
Energy: 1.0332289380853406
Energy: 1.039833654656556
Energy: 1.0332289380859512
Energy: 1.0398336546583886
Energy: 1.0332289380847297

minimum gb energy = 0.9747659666383701 eV
minimum distance =  2.2744075426589 Angstroms
sigma value = 101


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

Energy: 1.0994601886824125
Energy: 0.9728877514107472
Energy: 1.0994601886818756
Energy: 0.9728877514118212
Energy: 1.0994601886818756
Energy: 0.9728877514123583
Energy: 1.012064552772015
Energy: 1.0256617279563707
Energy: 1.012064552772015
Energy: 1.0256617279574447
Energy: 1.0120645527714778
Energy: 1.0256617279574447
Energy: 0.9938763524838442
Energy: 1.0225948750120082
Energy: 0.9938763524849181
Energy: 1.0225948750109342
Energy: 0.9938763524843811
Energy: 1.0225948750103975
Energy: 1.0137448746547475
Energy: 1.0241118065891934
Energy: 1.0137448746547475
Energy: 1.0241118065897306
Energy: 1.0137448746552844
Energy: 1.0241118065897306
Energy: 1.0133112564587126
Energy: 0.9968474765095636
Energy: 1.0133112564587126
Energy: 0.9968474765095636
Energy: 1.0133112564576385
Energy: 0.9968474765106375
Energy: 0.9589309059942923
Energy: 1.0367433896549618
Energy: 0.9589309059937554
Energy: 1.0367433896549618
Energy: 0.9589309059953662
Energy: 1.0367433896549618
Energy: 1.0250316520570848
Energy: 1.0150734811756856
Energy: 1.0250316520565477
Energy: 1.0150734811767594
Energy: 1.0250316520565477
Energy: 1.0150734811772966
Energy: 1.0192053196830906
Energy: 1.0387335277678336
Energy: 1.0192053196841644
Energy: 1.0387335277678336
Energy: 1.0192053196841644
Energy: 1.0387335277694447
Energy: 0.9604618729798807
Energy: 1.0167227558163838
Energy: 0.9604618729814914
Energy: 1.0167227558169207
Energy: 0.9604618729804175
Energy: 1.0167227558169207
Energy: 1.0133619200649273
Energy: 1.0060541465820596
Energy: 1.0133619200660011
Energy: 1.0060541465815225
Energy: 1.0133619200665382
Energy: 1.0060541465809856
Energy: 1.0270822947810176
Energy: 1.1837547081672375
Energy: 1.0270822947810176
Energy: 1.1837547081672375
Energy: 1.0270822947810176
Energy: 1.1837547081683115
Energy: 1.0110112067263117
Energy: 1.0257421671546947
Energy: 1.011011206725775
Energy: 1.0257421671552318
Energy: 1.011011206726849
Energy: 1.0257421671546947
Energy: 0.950960151030356
Energy: 1.0195073564118864
Energy: 0.950960151030356
Energy: 1.0195073564129602
Energy: 0.950960151030893
Energy: 1.0195073564118864
Energy: 1.0049204395188662
Energy: 1.043673080101566
Energy: 1.0049204395177924
Energy: 1.0436730800999552
Energy: 1.0049204395210143
Energy: 1.0436730801004919
Energy: 1.0055893908371374
Energy: 1.0039235189838696
Energy: 1.0055893908382112
Energy: 1.0039235189849436
Energy: 1.0055893908376743
Energy: 1.0039235189774263
Energy: 1.010776534219687
Energy: 1.0302153162219463
Energy: 1.0107765342164652
Energy: 1.0302153162219463
Energy: 1.0107765342180761
Energy: 1.0302153162219463
Energy: 1.022129112466021
Energy: 1.0900177006142115
Energy: 1.0221291124654839
Energy: 1.0900177006142115
Energy: 1.0221291124654839
Energy: 1.0900177006142115
Energy: 1.017387160603888
Energy: 0.9476914376825765
Energy: 1.017387160603888
Energy: 0.9476914376825765
Energy: 1.017387160603888
Energy: 0.9476914376841873
Energy: 0.9612657107834515
Energy: 1.0168253510580763
Energy: 0.9612657107829146
Energy: 1.016825351058613
Energy: 0.9612657107829146
Energy: 1.016825351058613
Energy: 1.0223260923973165
Energy: 0.9726867392610428
Energy: 1.0223260923973165
Energy: 0.972686739259432
Energy: 1.0223260923983903
Energy: 0.9726867392610428
Energy: 1.0231782527401279
Energy: 1.1231168542859524
Energy: 1.023178252740665
Energy: 1.1231168542838048
Energy: 1.0231782527401279
Energy: 1.1231168542843417
Energy: 0.9930135388181803
Energy: 1.0268102824568006
Energy: 0.9930135388187172
Energy: 1.0268102824573375
Energy: 0.9930135388192542
Energy: 1.0268102824568006
Energy: 1.0149885664326723
Energy: 1.0173269150412956
Energy: 1.0149885664305245
Energy: 1.0173269150407587
Energy: 1.0149885664315983
Energy: 1.0173269150402218
Energy: 1.0139180223850668
Energy: 1.1593484015349382
Energy: 1.01391802238453
Energy: 1.1593484015344013
Energy: 1.0139180223861408
Energy: 1.1593484015344013
Energy: 1.0209784931762889
Energy: 1.0040531753236561
Energy: 1.020978493175215
Energy: 1.0040531753236561
Energy: 1.0209784931768255
Energy: 1.0040531753231192
Energy: 0.9506220138643438
Energy: 1.0285285202530465
Energy: 0.9506220138632698
Energy: 1.0285285202525098
Energy: 0.9506220138643438
Energy: 1.0285285202519727
Energy: 1.0109582923964886
Energy: 1.023340606798204
Energy: 1.0109582923959513
Energy: 1.0233406067987407
Energy: 1.0109582923964886
Energy: 1.023340606798204
Energy: 1.0130023089747378
Energy: 0.9491157300738972
Energy: 1.0130023089747378
Energy: 0.9491157300738972
Energy: 1.0130023089747378
Energy: 0.9491157300744343
Energy: 1.1600489665671927
Energy: 1.0141979569307074
Energy: 1.1600489665682665
Energy: 1.0141979569296335
Energy: 1.1600489665682665
Energy: 1.0141979569301705
Energy: 1.0170643816533065
Energy: 0.9940650682732661
Energy: 1.0170643816516953
Energy: 0.9940650682732661
Energy: 1.0170643816533065
Energy: 0.9940650682738033
Energy: 1.0227472003738318
Energy: 0.9776380645364943
Energy: 1.0227472003743687
Energy: 0.9776380645381053
Energy: 1.0227472003749056
Energy: 0.9776380645359575
Energy: 1.0124708605470896
Energy: 1.0286444087391338
Energy: 1.0124708605454789
Energy: 1.0286444087402078
Energy: 1.0124708605465527
Energy: 1.028644408739671
Energy: 1.0152127502817705
Energy: 1.0233584936597435
Energy: 1.0152127502817705
Energy: 1.0233584936581326
Energy: 1.0152127502812336
Energy: 1.0233584936586695

minimum gb energy = 0.9476914376825765 eV
minimum distance =  2.28736958053251 Angstroms
sigma value = 33


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

Energy: 0.0186804485572041
Energy: 0.7090831928527698
Energy: 0.0186804485572041
Energy: 0.709083192853216
Energy: 0.018680448556757965
Energy: 0.709083192853216
Energy: 0.01951042689289006
Energy: -0.505201367726336
Energy: 0.01951042689289006
Energy: -0.505201367724601
Energy: 0.01951042689289006
Energy: -0.5052013677259393
Energy: 0.7094014403013532
Energy: -0.5031609046128426
Energy: 0.7094014404870943
Energy: -0.5031609046128426
Energy: 0.7094014403336236
Energy: -0.5031609046128426
Energy: 0.01951042689289006
Energy: -0.5052013677267819
Energy: 0.01951042689289006
Energy: -0.505201367725047
Energy: 0.019510426892443925
Energy: -0.5052013677254932

minimum gb energy = -0.5052013677267819 eV
minimum distance =  2.45621626861229 Angstroms
sigma value = 1