Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6131481304764748
cohesive_energy=3.4950398727056187
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.015325327055101895
Energy: 0.44659350801294834
Energy: 0.4465935080115014
Energy: 0.015325327055101895
Energy: 0.4465935080115014
Energy: 0.44659350801294834
Energy: 0.015325327055101895
Energy: 0.44659350801294834
Energy: 0.4465935080115014
Energy: 0.015325327055101895
Energy: 0.44272997928842045
Energy: 0.018901970208155316
Energy: 0.44246763404419753
Energy: 0.44272997928842045
Energy: 0.0189019702110493
Energy: 0.44246763404564454
Energy: 0.44272997928842045
Energy: 0.018901970208155316
Energy: 0.44246763404419753
Energy: 0.44272997928842045
Energy: 1.814961866079154
Energy: 0.016637221885972272
Energy: 0.47721144283424927
Energy: 1.8149618661572586
Energy: 0.01663722188452528
Energy: 0.01663722188452528
Energy: 0.907873969758018
Energy: 0.016637221885972272
Energy: 0.01663722188452528
Energy: 0.7869698214298629
Energy: 0.44272997928986746
Energy: 0.44246763404564454
Energy: 0.01890197020960231
Energy: 0.44272997928842045
Energy: 0.44246763404709155
Energy: 0.018901970208155316
Energy: 0.44272997928842045
Energy: 0.44246763404564454
Energy: 0.01890197020960231
Energy: 0.44272997928842045
Energy: 0.015325327056548887
Energy: 0.4465935080115014
Energy: 0.4465935080115014
Energy: 0.015325327055101895
Energy: 0.4465935080115014
Energy: 0.44659350801294834
Energy: 0.015325327055101895
Energy: 0.44659350801294834
Energy: 0.44659350801294834
Energy: 0.015325327055101895
Energy: 0.44272997928842045
Energy: 0.018901970208155316
Energy: 0.44246763404419753
Energy: 0.44272997928842045
Energy: 0.01890197020960231
Energy: 0.44246763404564454
Energy: 0.44272997928842045
Energy: 0.01890197020960231
Energy: 0.44246763404419753
Energy: 0.44272997928842045
Energy: 0.9603415395258256
Energy: 0.01663722188452528
Energy: 0.825339886998739
Energy: 0.9603729330865631
Energy: 0.016637221883078288
Energy: 0.6868638142014472
Energy: 0.9603578022508445
Energy: 0.01663722188452528
Energy: 0.47721144283424927
Energy: 0.9603774916677844

minimum gb energy = 0.015325327055101895 eV
minimum distance =  2.30395640768612 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 1.2495119205554541
Energy: 1.2496486589235607
Energy: 0.969392796567867
Energy: 1.2495119205625431
Energy: 1.2496486589200164
Energy: 1.2287327554396619
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Energy: 1.249648658926074
Energy: 0.9693927965681894
Energy: 1.0861635522647985
Energy: 1.168015326512934
Energy: 1.2179192601491666
Energy: 1.0861635522640898
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Energy: 1.1171144555296164
Energy: 1.3172352311662505
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Energy: 1.014303971735774
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Energy: 0.969992504749769
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Energy: 1.2495847641788462
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Energy: 1.2495847641781372
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Energy: 1.1671656894156812
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Energy: 1.178385013113085
Energy: 1.1672408008612023
Energy: 1.2182408351223943
Energy: 1.1783850131215918
Energy: 1.167165689407561
Energy: 1.2182408351280656
Energy: 1.2143028314138338
Energy: 1.053790289478838
Energy: 1.2521042107146243
Energy: 1.2143028314081628
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Energy: 1.2114167804852507
Energy: 1.2497330802739446
Energy: 1.2501103800122495
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Energy: 1.2501103800108313
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Energy: 0.9700576877643314
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Energy: 1.2501052229980014
Energy: 1.2494483021773313
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Energy: 1.2501052229965839
Energy: 1.253167697402378
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Energy: 0.9675797777294368
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Energy: 1.2531676974030868
Energy: 1.1743077203545602
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Energy: 1.2531676974034733
Energy: 0.9325085302663966
Energy: 1.2978927345534117
Energy: 1.295607491746485
Energy: 0.932508530269232
Energy: 1.2183495576964352
Energy: 1.2184929016728607
Energy: 0.9325085302706498
Energy: 1.2978927345424562
Energy: 1.2956074917397828
Energy: 0.9325085302611121
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Energy: 1.2495492878718852
Energy: 0.9699489404787748
Energy: 1.249378063468314
Energy: 1.2495492878658918
Energy: 1.1952257390017293
Energy: 1.2181321087441233
Energy: 1.0861223704548506
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Energy: 1.218132108742319
Energy: 1.0861223704601348
Energy: 1.1952257389942538
Energy: 1.2181321087370343
Energy: 1.0861223704711547
Energy: 1.1952257390020515
Energy: 1.2097287811758737
Energy: 1.2173574745850186
Energy: 1.1678788465857426
Energy: 1.2097287811748427
Energy: 1.217357474577221
Energy: 1.1682186833702608
Energy: 1.2097287811801272
Energy: 1.2173574745821831
Energy: 1.167878846583616
Energy: 1.2097287811748427
Energy: 0.9693927965681894
Energy: 1.249511920559385
Energy: 1.2496486589239473
Energy: 1.148057508624898
Energy: 1.2495119205622207
Energy: 1.2496486589182765
Energy: 0.9693927965692849
Energy: 1.2495119205625431
Energy: 1.2496486589193077
Energy: 1.148057508624189
Energy: 1.0861635522655078
Energy: 1.1680153265207318
Energy: 1.21791926015516
Energy: 1.086163552260932
Energy: 1.168015326513643
Energy: 1.2179192601587043
Energy: 1.0861635522570008
Energy: 1.168015326509003
Energy: 1.2179192601530977
Energy: 1.0861635522541655
Energy: 1.2371700447020781
Energy: 1.3172352311726303
Energy: 1.2178859270331912
Energy: 1.1660407865723519
Energy: 1.3172352311694726
Energy: 1.2178859256600283
Energy: 1.2371700446964071
Energy: 1.3172352311751436
Energy: 1.2178859267295976
Energy: 1.1660407865617188
Energy: 1.2499660200462681
Energy: 1.2492016838502737
Energy: 0.9697003003320641
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Energy: 1.2492016838492426
Energy: 0.9697003003356084
Energy: 1.2499660200384703
Energy: 1.2492016838467292
Energy: 0.9697003003359952
Energy: 1.2499660200431104

minimum gb energy = 0.930662920088657 eV
minimum distance =  2.38930155403155 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4312177675579327
Energy: 1.1647567786540785
Energy: 1.1647424141230567
Energy: 1.2792418272868757
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minimum gb energy = 1.1579444962976213 eV
minimum distance =  2.25368790006314 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.292830016869237
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Energy: 1.2992305927905086
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Energy: 1.3296261953519994
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Energy: 1.3449523000747519
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Energy: 1.3684456707209636
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Energy: 1.4578886908588435
Energy: 1.267534596845003
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Energy: 1.4578886908578859
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Energy: 1.2989800644839604
Energy: 1.457888690859837
Energy: 1.2675345968485148
Energy: 1.2989800644847405
Energy: 1.2456644984074101
Energy: 1.2518716990464662
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Energy: 1.2456644984048915
Energy: 1.2518716990478143
Energy: 1.2518945747883965
Energy: 1.2456644984080134
Energy: 1.251871699047034
Energy: 1.2518945747866583
Energy: 1.2456644984033305
Energy: 1.2520713282018991
Energy: 1.2341340954995281
Energy: 1.3077516532071436
Energy: 1.2520713282011187
Energy: 1.2341340954952358
Energy: 1.3077516532069662
Energy: 1.2520713281993805
Energy: 1.2341340954981446
Energy: 1.307751653205973
Energy: 1.2520713281987774
Energy: 1.4363815771295367
Energy: 1.2347944168812421
Energy: 1.3112572256235162
Energy: 1.4363815771293238
Energy: 1.2347944168873082
Energy: 1.311256792165899
Energy: 1.436381577131878
Energy: 1.2347944168861376
Energy: 1.3112567742143453
Energy: 1.4363815771303172
Energy: 1.305198927106254
Energy: 1.3055008297415132
Energy: 1.332983425224083
Energy: 1.3051989271097664
Energy: 1.3055008297434643
Energy: 1.3329834252360027
Energy: 1.3051989271105466
Energy: 1.3055008297407327
Energy: 1.3329834254011743
Energy: 1.305198927108028
Energy: 1.2880396023486722
Energy: 1.3050501669953365
Energy: 1.3461354330646833
Energy: 1.2880396023486722
Energy: 1.3050501669992036
Energy: 1.3461354330584396
Energy: 1.288039602343812
Energy: 1.3050501669953365
Energy: 1.3461354330635127
Energy: 1.288039602343812
Energy: 1.3949212755658384
Energy: 1.2987372821894227
Energy: 1.3888784821886617
Energy: 1.394921275567612
Energy: 1.2987372821886425
Energy: 1.3888784821878812
Energy: 1.3949212755673992
Energy: 1.298737282192722
Energy: 1.3888784821919962
Energy: 1.3949212755715144
Energy: 1.3273560554434984
Energy: 1.2455160986525606
Energy: 1.3267716910627023
Energy: 1.3273560554386028
Energy: 1.2455160986570661
Energy: 1.3267716910620995
Energy: 1.3273560554386028
Energy: 1.2455160986539442
Energy: 1.3267716910636602
Energy: 1.327356055437432

minimum gb energy = 1.2341340954952358 eV
minimum distance =  2.34974144820142 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.3625577291402529
Energy: 1.3925149933186793
Energy: 1.3925136945178953
Energy: 1.362557729141593
Energy: 1.3925149933186793
Energy: 1.3925136945152161
Energy: 1.3625577291409228
Energy: 1.392514993320019
Energy: 1.3925136945165557
Energy: 1.3625577291456115
Energy: 1.3908976969281028
Energy: 1.3510575631423825
Energy: 1.4354775061749485
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Energy: 1.3510575631470714
Energy: 1.435477506176958
Energy: 1.3908976969274331
Energy: 1.3771625417126143
Energy: 1.4146964286006904
Energy: 1.3021224696746252
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Energy: 1.4146964286134172
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Energy: 1.3771625417025972
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Energy: 1.4385488830223583
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Energy: 1.422098693200603
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Energy: 1.3521985330186186
Energy: 1.422507005750566
Energy: 1.4553811218575496
Energy: 1.3521985330166089
Energy: 1.4225070057498963
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Energy: 1.352198533019958
Energy: 1.422507005750566
Energy: 1.455381121866927
Energy: 1.3521985330172788
Energy: 1.3937987870109103
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Energy: 1.3937990138175866
Energy: 1.302239600052188
Energy: 1.4760771804478197
Energy: 1.3937991041459297
Energy: 1.3022391749025473
Energy: 1.4760771804431312
Energy: 1.3937990326052743
Energy: 1.4280582373412554
Energy: 1.352203505412761
Energy: 1.4221261508901506
Energy: 1.4280582373425947
Energy: 1.3522035054161101
Energy: 1.4221261508941694
Energy: 1.428058237340616
Energy: 1.3522035054141006
Energy: 1.4221261508901506
Energy: 1.4280582373425947
Energy: 1.3772975736135278
Energy: 1.3021350603670505
Energy: 1.4147324084595727
Energy: 1.3772975736148674
Energy: 1.302134676887624
Energy: 1.4147324085231756
Energy: 1.3772975736148674
Energy: 1.3021344647624102
Energy: 1.4147324085733821
Energy: 1.3772975736115185
Energy: 1.3910244621055037
Energy: 1.4351899470289822
Energy: 1.3515423110811353
Energy: 1.3910244621041643
Energy: 1.435189947029652
Energy: 1.3515423110811353
Energy: 1.3910244621061736
Energy: 1.4351899470283125
Energy: 1.3515423110797955
Energy: 1.3910244621041643
Energy: 1.3625577291409228
Energy: 1.3925149933193492
Energy: 1.3925136945178953
Energy: 1.3625577291409228
Energy: 1.3925149933193492
Energy: 1.3925136945145464
Energy: 1.3625577291395832
Energy: 1.3925149933186793
Energy: 1.3925136945219143
Energy: 1.3625577291402529

minimum gb energy = 1.3021224690425819 eV
minimum distance =  2.33038307099274 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.2911352132784637
Energy: 1.275205565630782
Energy: 1.2767162168720334
Energy: 1.2801824506112778
Energy: 1.2752055656359798
Energy: 1.2767162168720334
Energy: 1.2911352132836615
Energy: 1.2752055656255843
Energy: 1.2767162168746322
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Energy: 1.1170564015399562
Energy: 1.3520376795586821
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Energy: 1.3520376795534845
Energy: 1.3584411207279756
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Energy: 1.352037679550933
Energy: 1.3584411207227778
Energy: 1.2313929146256442
Energy: 1.1842319639000622
Energy: 1.204258592326805
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Energy: 1.1842319638974632
Energy: 1.2044922298120497
Energy: 1.2313929146386386
Energy: 1.1842319638896666
Energy: 1.2042585923372007
Energy: 1.2313929146256442
Energy: 1.2653241226374836
Energy: 1.2449511003941083
Energy: 1.2049291184174373
Energy: 1.2653241226374836
Energy: 1.2449511003915097
Energy: 1.205157679574547
Energy: 1.2653241226426815
Energy: 1.2449511003889107
Energy: 1.2049291184200364
Energy: 1.2653241226400824
Energy: 1.2080969089207563
Energy: 1.3794646894394325
Energy: 1.2278566217130953
Energy: 1.2080969089311044
Energy: 1.3794646894497806
Energy: 1.2278566217130953
Energy: 1.2080969089337035
Energy: 1.3794646894523794
Energy: 1.2278566217079445
Energy: 1.2080969089207563
Energy: 1.2089459550592765
Energy: 1.1408467038215728
Energy: 1.1405164981137446
Energy: 1.2089459550696722
Energy: 1.1408467038267707
Energy: 1.140516498098151
Energy: 1.2089459550592765
Energy: 1.1408467038215728
Energy: 1.1405164981111455
Energy: 1.2089459550566777
Energy: 1.2000341868728401
Energy: 1.204692419384319
Energy: 1.2282333802985963
Energy: 1.2000341868806368
Energy: 1.2046924193765223
Energy: 1.2282333802959975
Energy: 1.2000341868858346
Energy: 1.204692419379121
Energy: 1.2282333802907996
Energy: 1.2000341868858346
Energy: 1.3216974360322824
Energy: 1.1226124365619519
Energy: 1.2843713814173656
Energy: 1.3216974360348812
Energy: 1.1226124365671497
Energy: 1.2843713812329398
Energy: 1.3216974360296836
Energy: 1.122612436577545
Energy: 1.2843713810796535
Energy: 1.3216974360296836
Energy: 1.2829113854153429
Energy: 1.2786048905087277
Energy: 1.1763677858998076
Energy: 1.2829113854153429
Energy: 1.2786048905087277
Energy: 1.205867186038631
Energy: 1.282911385412744
Energy: 1.2786048905113268
Energy: 1.1763677858998076
Energy: 1.2829113854023488
Energy: 1.1198701374314266
Energy: 1.1520828858907204
Energy: 1.2051790467182564
Energy: 1.1198701374314266
Energy: 1.1772760257259571
Energy: 1.2104128964548837
Energy: 1.1198701374314266
Energy: 1.1520828858881216
Energy: 1.2051790467156578
Energy: 1.1198701374392235
Energy: 1.1187167670272886
Energy: 1.2362386099050429
Energy: 1.2349648900994943
Energy: 1.1187167670324862
Energy: 1.235735997451659
Energy: 1.2349412429527755
Energy: 1.1187167670376843
Energy: 1.2362386098946472
Energy: 1.234964890102093
Energy: 1.1187167670350853
Energy: 1.148333552895015
Energy: 1.208231382996682
Energy: 1.209753723352354
Energy: 1.148333552895015
Energy: 1.207840766351277
Energy: 1.2097537233445574
Energy: 1.1483335529028116
Energy: 1.2082313829888853
Energy: 1.2097537233393596
Energy: 1.1483335529028116
Energy: 1.3364286317393905
Energy: 1.207996854157688
Energy: 1.211026772569822
Energy: 1.3364286317497862
Energy: 1.2082290380330225
Energy: 1.21102677257502
Energy: 1.3364286317471872
Energy: 1.2079968541550894
Energy: 1.2110267725672232
Energy: 1.3364286317367917
Energy: 1.2743448948887914
Energy: 1.2829549462471626
Energy: 1.2054006684278205
Energy: 1.274344894878396
Energy: 1.2829549462497616
Energy: 1.2054006684304193
Energy: 1.2743448948835938
Energy: 1.2829549462471626
Energy: 1.2054006684408147
Energy: 1.2743448948861926

minimum gb energy = 1.116471262316119 eV
minimum distance =  2.35978010087074 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.6875686799916005
Energy: 0.6155860667910379
Energy: 0.615524936065875
Energy: 0.5850035473931325
Energy: 0.6155860667854849
Energy: 0.6155249360711195
Energy: 0.6875686799928344
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Energy: 0.615524936070811
Energy: 0.5850035473934411
Energy: 0.6644045792542244
Energy: 0.6157766599979365
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Energy: 0.5428201566066696
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Energy: 0.5428201566143821
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Energy: 0.6836587604572782
Energy: 0.6181708541236158
Energy: 0.6228076378539267
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Energy: 0.6228076378526928
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Energy: 0.6630426906443835
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Energy: 0.5436306736254765
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Energy: 0.7278192403953653
Energy: 0.5972578824194706
Energy: 0.6250974614954133
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Energy: 0.6251521379907725
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Energy: 0.6251521379969425
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Energy: 0.5437087879609024
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Energy: 0.616738147833906
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Energy: 0.620020975120702
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Energy: 0.5844074677029969
Energy: 0.5427547087155038
Energy: 0.6175032714920995
Energy: 0.5844074676956211
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Energy: 0.6175032714948759
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Energy: 0.5427547087099508
Energy: 0.6175032714890145
Energy: 0.5844074677066989
Energy: 0.664673986084458
Energy: 0.6320908869515858
Energy: 0.6159833761556263
Energy: 0.6646739860841496
Energy: 0.6320908869497347
Energy: 0.6159833761577859
Energy: 0.6646739860779796
Energy: 0.6320908869525111
Energy: 0.6159833761534949
Energy: 0.664673986074586
Energy: 0.585003547394058
Energy: 0.6155860667873357
Energy: 0.615524936060939
Energy: 0.5850035473931325
Energy: 0.6155860667842508
Energy: 0.6155249360664921
Energy: 0.5850035473943666
Energy: 0.6155860667823998
Energy: 0.6155249360643325
Energy: 0.5850035473928241
Energy: 0.6644045792520649
Energy: 0.6157766600007131
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Energy: 0.6644045792502139
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Energy: 0.5958976822266945
Energy: 0.6644045792548413
Energy: 0.6157766599979365
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Energy: 0.5844043011597108
Energy: 0.6177997031820055
Energy: 0.5428201566088292
Energy: 0.5844043011594022
Energy: 0.6177997031850905
Energy: 0.5428201566116057
Energy: 0.5844043011658807
Energy: 0.617799703179846
Energy: 0.5428201566137651
Energy: 0.5844043011612533
Energy: 0.6836587604554273
Energy: 0.6181708541226902
Energy: 0.6228076378548522
Energy: 0.6836587604634482
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Energy: 0.6228076378499163
Energy: 0.6836587604557358
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Energy: 0.6228076378489907
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Energy: 0.6630426906419155
Energy: 0.6169343634106405
Energy: 0.5436306736313379
Energy: 0.663042690645309
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Energy: 0.5436306736260933
Energy: 0.663042690644075
Energy: 0.6169343634115659
Energy: 0.5436306736239338
Energy: 0.6630426906443835
Energy: 0.7278192403999927
Energy: 0.5972578824200877
Energy: 0.6250974614929453
Energy: 0.7278192404006097
Energy: 0.5972578824213217
Energy: 0.6250974614898603
Energy: 0.7278192403962908
Energy: 0.5972578824259492
Energy: 0.6250974614895518
Energy: 0.7278192403925887
Energy: 0.6620327479853055
Energy: 0.6251521379913896
Energy: 0.6323021467274782
Energy: 0.6620327479846885
Energy: 0.625152137992932
Energy: 0.6323021467287122
Energy: 0.662032747983763
Energy: 0.6251521379981765
Energy: 0.6323021467274782
Energy: 0.6620327479843799
Energy: 0.7264046282283465
Energy: 0.5437087879578174
Energy: 0.6167381478305125
Energy: 0.726404628228655
Energy: 0.5437087879584345
Energy: 0.6167381478354484
Energy: 0.726404628227421
Energy: 0.5437087879624449
Energy: 0.6167381478360655
Energy: 0.726404628226187
Energy: 0.620020975115149
Energy: 0.623843871635032
Energy: 0.6180023216599639
Energy: 0.6200209751123724
Energy: 0.6238438716387338
Energy: 0.6180023216611978
Energy: 0.6200209751213188
Energy: 0.6238438716393508
Energy: 0.6180023216658255
Energy: 0.620020975117617
Energy: 0.5844074677036141
Energy: 0.5427547087148868
Energy: 0.617503271492408
Energy: 0.5844074676971636
Energy: 0.5427547087161209
Energy: 0.6175032714927164
Energy: 0.5844074676996316
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Energy: 0.6320908869546707
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Energy: 0.6875686799934515
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Energy: 0.6155249360649494
Energy: 0.5850035473937496
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Energy: 0.6155249360717364
Energy: 0.6875686799909834
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Energy: 0.585003547394058
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Energy: 0.6157766600013301
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Energy: 0.6644045792486712
Energy: 0.6157766599985536
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Energy: 0.6157766599997876
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Energy: 0.6644045792492884
Energy: 0.5844043011569342
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Energy: 0.5428201566079036
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Energy: 0.5428201566140736
Energy: 0.5844043011646468
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Energy: 0.5428201566153076
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Energy: 0.6836587604585124
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Energy: 0.6228076378542352
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Energy: 0.6228076378492993
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Energy: 0.6630426906406814
Energy: 0.6169343634094064
Energy: 0.5436306736338059
Energy: 0.6630426906443835
Energy: 0.6169343634140338
Energy: 0.5436306736273273
Energy: 0.6630426906437665
Energy: 0.6169343634131085
Energy: 0.5436306736248593
Energy: 0.6630426906437665
Energy: 0.7278192403993757
Energy: 0.5972578824197792
Energy: 0.6250974614988069
Energy: 0.7278192404018436
Energy: 0.5972578824210132
Energy: 0.625097461494488
Energy: 0.7278192403984501
Energy: 0.5972578824222471
Energy: 0.6250974614907858
Energy: 0.7278192403944398
Energy: 0.662032747981323
Energy: 0.6251521379923151
Energy: 0.6323021467277867
Energy: 0.662032747980706
Energy: 0.6251521379926235
Energy: 0.6323021467256272
Energy: 0.662032747981912
Energy: 0.6251521379975595
Energy: 0.6323021467250103
Energy: 0.6620327479822206
Energy: 0.7264046282301975
Energy: 0.5437087879605939
Energy: 0.6167381478317464
Energy: 0.726404628231123
Energy: 0.5437087879602853
Energy: 0.6167381478354484
Energy: 0.7264046282295805
Energy: 0.543708787964296
Energy: 0.6167381478348314
Energy: 0.726404628229272
Energy: 0.620020975120702
Energy: 0.6238438716368829
Energy: 0.6180023216621234
Energy: 0.6200209751148404
Energy: 0.6238438716390423
Energy: 0.6180023216621234
Energy: 0.620020975126255
Energy: 0.6238438716381169
Energy: 0.6180023216652085
Energy: 0.620020975123787
Energy: 0.5844074677029969
Energy: 0.5427547087142698
Energy: 0.6175032714948759
Energy: 0.584407467697472
Energy: 0.5427547087170463
Energy: 0.617503271497344
Energy: 0.5844074676990145
Energy: 0.5427547087105679
Energy: 0.6175032714964185
Energy: 0.5844074677026885
Energy: 0.6646739860841496
Energy: 0.6320908869528197
Energy: 0.6159833761587113
Energy: 0.6646739860816816
Energy: 0.6320908869472667
Energy: 0.6159833761593284
Energy: 0.6646739860736607
Energy: 0.6320908869506603
Energy: 0.6159833761562433
Energy: 0.6646739860718095

minimum gb energy = 0.5427547087099508 eV
minimum distance =  2.3826360252686 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.097648791905387
Energy: 1.1371594974786248
Energy: 1.137115337608088
Energy: 1.097648791905387
Energy: 1.1371594974786248
Energy: 1.1371153376097813
Energy: 1.097648791905387
Energy: 1.137159497480318
Energy: 1.137115337608088
Energy: 1.097648791905387
Energy: 1.1325085195040503
Energy: 1.1183789501942043
Energy: 1.1247255189000076
Energy: 1.1325085195057438
Energy: 1.1183789501942043
Energy: 1.1247255188983143
Energy: 1.1325085195040503
Energy: 1.1183789501942043
Energy: 1.1247255189000076
Energy: 1.1325085195006632
Energy: 1.0712492395501438
Energy: 1.0738851161308312
Energy: 1.065051958354018
Energy: 1.0712492395434003
Energy: 1.0738851161291376
Energy: 1.065051917108335
Energy: 1.057700097185208
Energy: 1.0738851161308312
Energy: 1.0650518878444635
Energy: 1.0769080984536152
Energy: 1.1068219798816759
Energy: 1.0955629600990957
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Energy: 1.106821979885063
Energy: 1.0955629600990957
Energy: 1.1097404414608
Energy: 1.1068219798816759
Energy: 1.0955629600990957
Energy: 1.1097404414624938
Energy: 1.106821979885063
Energy: 1.1236272802456222
Energy: 1.1281171420555132
Energy: 1.067064032270176
Energy: 1.1236272802456222
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Energy: 1.0670651445527506
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Energy: 1.1281171420555132
Energy: 1.0670638296762405
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Energy: 1.12961433617784
Energy: 1.1619220636117735
Energy: 1.1375586647815814
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Energy: 1.1619220636083865
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Energy: 1.1296143361744528
Energy: 1.1235195435634762
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Energy: 1.1330806397934021
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Energy: 1.1330806397917086
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Energy: 1.0975206647181166
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Energy: 1.0973664630623834
Energy: 1.09569183957448
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Energy: 1.0974629032381515
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Energy: 1.0711231974815998
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Energy: 1.1425735177990295
Energy: 1.1404607354703538
Energy: 1.1186888218756845
Energy: 1.1143507310492244
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Energy: 1.1409377499765208
Energy: 1.0710533182115234
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Energy: 1.1374155357758624
Energy: 1.1186600390207742
Energy: 1.1036232358419187
Energy: 1.1286001249157374
Energy: 1.1186600390190806
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Energy: 1.1286001249123505
Energy: 1.1186600390207742
Energy: 1.1036232358368379
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Energy: 1.1186600390190806
Energy: 1.0736067507026683
Energy: 1.0880521202457587
Energy: 1.0850882653162246
Energy: 1.0736067507060554
Energy: 1.088052120247452
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Energy: 1.0736067507043618
Energy: 1.088052120247452
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Energy: 1.0736067507043618
Energy: 1.118594295132334
Energy: 1.12658888293622
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Energy: 1.1185942951340277
Energy: 1.1265888829345263
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Energy: 1.118594295132334
Energy: 1.1265888829396071
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Energy: 1.1185942951340277
Energy: 1.137984931438995
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Energy: 1.1413149614641442
Energy: 1.1379849314423511
Energy: 1.06217715893449
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Energy: 1.137984931438995
Energy: 1.0621771589311026
Energy: 1.141314961465838
Energy: 1.1379849314423511
Energy: 1.1301083689776414
Energy: 1.1142689891034743
Energy: 1.1186285047461169
Energy: 1.130108368979335
Energy: 1.1142689891034743
Energy: 1.1186285047461169
Energy: 1.1301083689776414
Energy: 1.1142689891051676
Energy: 1.1186285047461169
Energy: 1.1301083689776414
Energy: 1.142161737634199
Energy: 1.1599768903620096
Energy: 1.0704074169401778
Energy: 1.1421617376358923
Energy: 1.159976890368784
Energy: 1.0704074169418714
Energy: 1.142161737634199
Energy: 1.1599768903704775
Energy: 1.0704074169401778
Energy: 1.1421617376358923
Energy: 1.1062483879262701
Energy: 1.1056093924831227
Energy: 1.0971392448266497
Energy: 1.1062483879262701
Energy: 1.1056093924882033
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Energy: 1.131251005279638
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Energy: 1.130150203831865
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Energy: 1.14036393655057
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Energy: 1.1069043804481364
Energy: 1.069695593980116
Energy: 1.0919730939055117
Energy: 1.1069047469566178
Energy: 1.0696955939835033

minimum gb energy = 1.057700097185208 eV
minimum distance =  2.33034814844628 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.5814194119748861
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Energy: 1.5853514991663047
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Energy: 1.588350124128403
Energy: 1.5393392582705758
Energy: 1.53837773504994
Energy: 1.5883501241306448
Energy: 1.5393392582716967

minimum gb energy = 1.4915754996924047 eV
minimum distance =  2.30389140052058 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.7668013534653975
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Energy: 1.7668013534633302
Energy: 1.6896622466230675
Energy: 1.748742019113258
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minimum gb energy = 1.6846692163543986 eV
minimum distance =  2.28862062321677 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.6858568599429664
Energy: 1.681204629383386
Energy: 1.7228533535209747
Energy: 1.7940719914766712
Energy: 1.7693949424928466
Energy: 1.685112576165648
Energy: 1.7940719914751522
Energy: 1.7693949424915805
Energy: 1.6851125761651418
Energy: 1.794071991476165
Energy: 1.7693949424925932
Energy: 1.6851125761659012
Energy: 1.794071991476165
Energy: 1.7187260680146468
Energy: 1.7375243926540211
Energy: 1.7378270748609794
Energy: 1.718726068015153
Energy: 1.7375243926542745
Energy: 1.7378270748599667
Energy: 1.718726068013381
Energy: 1.7375243926545274
Energy: 1.7378270748597135
Energy: 1.7187260680149001
Energy: 1.7932289770824927
Energy: 1.6864294306054466
Energy: 1.7693799984837275
Energy: 1.7932289770840117
Energy: 1.6864294306056997
Energy: 1.7693799984849932
Energy: 1.7932289770832521
Energy: 1.6864294306054466
Energy: 1.7693799984842338
Energy: 1.7932289770832521
Energy: 1.7228373280001055
Energy: 1.6812019076226783
Energy: 1.6857705911978624
Energy: 1.7228373280001055
Energy: 1.6812019076234375
Energy: 1.6857705911976093
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Energy: 1.681201907622425
Energy: 1.685770591197103
Energy: 1.7228373279995992
Energy: 1.732224736799345
Energy: 1.6816443303078645
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Energy: 1.7322247367983323
Energy: 1.8065054077621945
Energy: 1.6915949389672342
Energy: 1.722342259589105
Energy: 1.8065054077611817
Energy: 1.6915949389685
Energy: 1.7223422595885987
Energy: 1.8065054077619414
Energy: 1.6915949389674874
Energy: 1.722342259589105
Energy: 1.8065054077604221
Energy: 1.6851991247191485
Energy: 1.8134520743670925
Energy: 1.7035402766075944
Energy: 1.685199124720414
Energy: 1.8134520743663334
Energy: 1.7035402766075944
Energy: 1.685199124718895
Energy: 1.8134520743675993
Energy: 1.7035402766075944
Energy: 1.6851991247199078
Energy: 1.683828266256895
Energy: 1.733844956476466
Energy: 1.7735123058449829
Energy: 1.6838282662548698
Energy: 1.733844956474947
Energy: 1.7735123058442233
Energy: 1.6838282662561357
Energy: 1.7338449564769722
Energy: 1.7735123058452358
Energy: 1.6838282662548698
Energy: 1.802177752421833
Energy: 1.745310980987679
Energy: 1.7449319829991778
Energy: 1.8021777524208205
Energy: 1.745310980987679
Energy: 1.7449319829984185
Energy: 1.80217775242158
Energy: 1.7453109809886918
Energy: 1.7449319829984185
Energy: 1.8021777524200608
Energy: 1.6834326013669683
Energy: 1.7734882467627695
Energy: 1.7338452900621133
Energy: 1.6834326013684873
Energy: 1.7734882467630224
Energy: 1.7338452900611006
Energy: 1.683432601366715
Energy: 1.7734882467632758
Energy: 1.7338452900626198
Energy: 1.6834326013682341
Energy: 1.6851948918068118
Energy: 1.7035959761368706
Energy: 1.8133277399685623
Energy: 1.6851948918075712
Energy: 1.7035959761366173
Energy: 1.8133277399672965
Energy: 1.6851948918057988
Energy: 1.703595976137377
Energy: 1.813327739965524
Energy: 1.6851948918075712
Energy: 1.8065006986206216
Energy: 1.7223580391661228
Energy: 1.6917081370571336
Energy: 1.8065006986188492
Energy: 1.7223580391648572
Energy: 1.6917081370583993
Energy: 1.8065006986201153
Energy: 1.7223580391663762
Energy: 1.6917081370571336
Energy: 1.8065006986188492
Energy: 1.732186198858831
Energy: 1.7857503792357416
Energy: 1.6816757570153031
Energy: 1.7321861988578182
Energy: 1.7857503792357416
Energy: 1.6816757570147967
Energy: 1.7321861988595904
Energy: 1.7857503792352354
Energy: 1.6816757570158096
Energy: 1.732186198859084

minimum gb energy = 1.681201907622425 eV
minimum distance =  2.2533553752577 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.7269105769829958
Energy: 1.7283470345468355
Energy: 1.7282755030312276
Energy: 1.7269105769829958
Energy: 1.7283470345536993
Energy: 1.7282755030321426
Energy: 1.7269105769839108
Energy: 1.7283470345450052
Energy: 1.7282755030303123
Energy: 1.726910576979335
Energy: 1.7282931884171662
Energy: 1.7274549423276522
Energy: 1.7294850202527385
Energy: 1.728293188420827
Energy: 1.7274549423262795
Energy: 1.7294850202518233
Energy: 1.7282931884139632
Energy: 1.7274549423294616
Energy: 1.7294850202536536
Energy: 1.7282931884226571
Energy: 1.727864018548421
Energy: 1.7279485354740276
Energy: 1.6824553274838965
Energy: 1.7278640185516243
Energy: 1.727948535471282
Energy: 1.6824553035210503
Energy: 1.7278640185479637
Energy: 1.7279485354744852
Energy: 1.6824552349452608
Energy: 1.727864018548421
Energy: 1.6823854608984712
Energy: 1.727798200113855
Energy: 1.7278666198739656
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Energy: 1.7282902830453302
Energy: 1.7294825018307485
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Energy: 1.7282902830407545
Energy: 1.7294825018330156
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Energy: 1.7282755030312276
Energy: 1.726910576988029
Energy: 1.728347034547293
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Energy: 1.728347034555072
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Energy: 1.72691057697842
Energy: 1.7283470345523266
Energy: 1.7274549423290042
Energy: 1.7294850202582293
Energy: 1.7282931884194541
Energy: 1.7274549423299193
Energy: 1.7294850202550263
Energy: 1.7282931884144208
Energy: 1.7274549423317496
Energy: 1.729485020256399
Energy: 1.7282931884171662
Energy: 1.727454942331292
Energy: 1.7279485354772308
Energy: 1.6824554381364334
Energy: 1.7278640185465908
Energy: 1.727948535469452
Energy: 1.682455274652829
Energy: 1.727864018547506
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Energy: 1.6824552330421054
Energy: 1.7278640185470484
Energy: 1.72794853547357
Energy: 1.7277982001156855
Energy: 1.7278666198730503
Energy: 1.6823854609098692
Energy: 1.727798200110652
Energy: 1.7278666198739656
Energy: 1.6823854609332058
Energy: 1.7277982001143126
Energy: 1.7278666198771688
Energy: 1.682385460920851
Energy: 1.7277982001124823
Energy: 1.7274218433875237
Energy: 1.7282902830453302
Energy: 1.7294825018330156
Energy: 1.7274218433820328
Energy: 1.728290283045788
Energy: 1.729482501831206
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Energy: 1.7282902830402969
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Energy: 1.7282755030289396
Energy: 1.7269105769875717
Energy: 1.7283470345495808
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Energy: 1.728347034551869
Energy: 1.728275503027109
Energy: 1.7269105769852837
Energy: 1.728347034547293
Energy: 1.7282755030321426
Energy: 1.7294850202531957
Energy: 1.7282931884199115
Energy: 1.7274549423294616
Energy: 1.7294850202550263
Energy: 1.7282931884135055
Energy: 1.7274549423317496
Energy: 1.729485020250908
Energy: 1.7282931884075567
Energy: 1.7274549423290042
Energy: 1.7294850202518233
Energy: 1.682455325040132
Energy: 1.7278640185447605
Energy: 1.7279485354731123
Energy: 1.6824553506184412
Energy: 1.7278640185520817
Energy: 1.7279485354799762
Energy: 1.6824552230978254
Energy: 1.7278640185493364
Energy: 1.72794853547357
Energy: 1.6824554801098512
Energy: 1.7278666198762536
Energy: 1.6823854609039623
Energy: 1.727798200113855
Energy: 1.7278666198744232
Energy: 1.6823854609158175
Energy: 1.7277982001120247
Energy: 1.7278666198744232
Energy: 1.682385460941442
Energy: 1.7277982001120247
Energy: 1.7278666198748809
Energy: 1.728290283051279
Energy: 1.7294825018348459
Energy: 1.727421843383863
Energy: 1.7282902830384665
Energy: 1.7294825018353035
Energy: 1.727421843383863
Energy: 1.7282902830421274
Energy: 1.7294825018316633
Energy: 1.727421843382948
Energy: 1.7282902830531093
Energy: 1.7269105769898387
Energy: 1.7283470345495808
Energy: 1.7282755030303123
Energy: 1.7269105769807078
Energy: 1.7283470345459204
Energy: 1.7282755030289396
Energy: 1.7269105769884865
Energy: 1.7283470345491234
Energy: 1.7282755030303123
Energy: 1.7269105769889235
Energy: 1.7282931884171662
Energy: 1.7274549423244492
Energy: 1.7294850202531957
Energy: 1.728293188420827
Energy: 1.7274549423294616
Energy: 1.7294850202545686
Energy: 1.7282931884171662
Energy: 1.7274549423281098
Energy: 1.7294850202531957
Energy: 1.7282931884125903
Energy: 1.7278640185488787
Energy: 1.7279485354776882
Energy: 1.6824553255962988
Energy: 1.7278640185470484
Energy: 1.7279485354740276
Energy: 1.6824552671495683
Energy: 1.727864018552997
Energy: 1.727948535479061
Energy: 1.6824552789617702
Energy: 1.7278640185493364
Energy: 1.6823854609190207
Energy: 1.7277982001147705
Energy: 1.727866619872593
Energy: 1.6823854609158175
Energy: 1.7277982001124823
Energy: 1.727866619873508
Energy: 1.682385460901217
Energy: 1.7277982001156855
Energy: 1.7278666198744232
Energy: 1.6823854609373239
Energy: 1.7294825018316633
Energy: 1.727421843386151
Energy: 1.7282902830448725
Energy: 1.729482501828003
Energy: 1.7274218433852357
Energy: 1.728290283046703
Energy: 1.729482501835761
Energy: 1.7274218433802027
Energy: 1.7282902830480757
Energy: 1.7294825018307485
Energy: 1.7283470345541567
Energy: 1.728275503033973
Energy: 1.7269105769857414
Energy: 1.7283470345504963
Energy: 1.7282755030303123
Energy: 1.726910576981623
Energy: 1.7283470345454628
Energy: 1.72827550303077
Energy: 1.7269105769884865
Energy: 1.7283470345495808
Energy: 1.7274549423271945
Energy: 1.7294850202536536
Energy: 1.7282931884185389
Energy: 1.7274549423235341
Energy: 1.7294850202513654
Energy: 1.7282931884116755
Energy: 1.7274549423276522
Energy: 1.7294850202527385
Energy: 1.7282931884171662
Energy: 1.7274549423281098

minimum gb energy = 1.68238546089115 eV
minimum distance =  2.32787098947909 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.683228122153805
Energy: 1.7019727075692106
Energy: 1.7428668004032737
Energy: 1.6852114045952835
Energy: 1.7019727075795819
Energy: 1.7428668004115708
Energy: 1.6832281221558791
Energy: 1.701972707571285
Energy: 1.7428668004074221
Energy: 1.6852114045952835
Energy: 1.7261129997799378
Energy: 1.6449333850666754
Energy: 1.6414304711844376
Energy: 1.726112999784086
Energy: 1.644933385052156
Energy: 1.6414304711823637
Energy: 1.7261129997757891
Energy: 1.644933385062527
Energy: 1.6414304711844376
Energy: 1.7261129997757891
Energy: 1.6288316479402636
Energy: 1.6323310804777984
Energy: 1.8588893087689569
Energy: 1.6288316479278562
Energy: 1.632331080463279
Energy: 1.858889308762734
Energy: 1.6288316479278562
Energy: 1.632331080475724
Energy: 1.8588893087606597
Energy: 1.6288316479402636
Energy: 1.6332241839899029
Energy: 1.6327161658606757
Energy: 1.6334377664231907
Energy: 1.6332241839919392
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Energy: 1.6334377664211168
Energy: 1.6332241839878285
Energy: 1.6327161658482303
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Energy: 1.6332241839774575
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Energy: 1.6423979192475158
Energy: 1.7660321797081993
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Energy: 1.6911687295023288
Energy: 1.721155054115197
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Energy: 1.6911687295002544
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Energy: 1.634979443399109
Energy: 1.7305673335732494
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Energy: 1.695993226281054
Energy: 1.662045162462135
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Energy: 1.6620451624683577
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Energy: 1.6959932262769055
Energy: 1.662045162478729
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Energy: 1.695993226281054
Energy: 1.6425885380083944
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Energy: 1.7251026659796416
Energy: 1.6425790550339707
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Energy: 1.642588538014617
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Energy: 1.605577599651429
Energy: 1.7343034267292419
Energy: 1.6627092593659014
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Energy: 1.7343034267230193
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Energy: 1.605577599651429
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Energy: 1.6627092593679758
Energy: 1.7219815771615148
Energy: 1.6161656215498739
Energy: 1.6309359922956506
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Energy: 1.6161733556410003
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Energy: 1.7219815771635887
Energy: 1.6161656215560967
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Energy: 1.7219815771552918
Energy: 1.7307332581783836
Energy: 1.6273308330486829
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Energy: 1.6273308330445344
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Energy: 1.6171338173638174
Energy: 1.6187151402937447
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Energy: 1.6171338173658916
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Energy: 1.627330196447508
Energy: 1.7030725997873997
Energy: 1.6406566816534935
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Energy: 1.6419300355402344
Energy: 1.673881846393561
Energy: 1.6411326272949012
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Energy: 1.6736068792874512
Energy: 1.6403377455681598
Energy: 1.651652430857357
Energy: 1.6738818463894127
Energy: 1.6411326272907527
Energy: 1.6516524308615055
Energy: 1.6736068792895256
Energy: 1.6248932061176464
Energy: 1.670448438437406
Energy: 1.6067408034844357
Energy: 1.6248932061197205
Energy: 1.6704484384332576
Energy: 1.6067408034865098
Energy: 1.6248932061280172
Energy: 1.6704484384291092
Energy: 1.6067408034844357
Energy: 1.6248932061280172
Energy: 1.6360874578637228
Energy: 1.6585199022905988
Energy: 1.6629606889438378
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Energy: 1.6585199022864503
Energy: 1.6629606889521344
Energy: 1.6360874578637228
Energy: 1.6585199022968213
Energy: 1.6629606889396893
Energy: 1.6360874578678712
Energy: 1.6424393237957733
Energy: 1.6994667878315872
Energy: 1.6967863344474416
Energy: 1.6426668524898218
Energy: 1.6994667878295129
Energy: 1.6962643283383199
Energy: 1.6424393238164774
Energy: 1.6994667878357357
Energy: 1.6967863344453673
Energy: 1.642666852491896
Energy: 1.736942677135449
Energy: 1.6068072285096917
Energy: 1.7264018111177888
Energy: 1.736942677135449
Energy: 1.606807228491024
Energy: 1.7264018111136403
Energy: 1.7369426771395973
Energy: 1.6068072284930983
Energy: 1.726401811119863
Energy: 1.736942677135449
Energy: 1.63484645142193
Energy: 1.6513359066446156
Energy: 1.8745739621226298
Energy: 1.6348464514260783
Energy: 1.6513359066466897
Energy: 1.8745739621164452
Energy: 1.63484645142193
Energy: 1.6513359066508384
Energy: 1.874573962106074
Energy: 1.6348464514157075
Energy: 1.7201286189301814
Energy: 1.617129960173588
Energy: 1.612509603081474
Energy: 1.7204231377942152
Energy: 1.6168861156081953
Energy: 1.6125096030835482
Energy: 1.7201286189405527
Energy: 1.6171299601694398
Energy: 1.612509603081474
Energy: 1.7204231377983636
Energy: 1.6629039558715362
Energy: 1.6194800310525528
Energy: 1.630096778416539
Energy: 1.662903955877759
Energy: 1.6194800310525528
Energy: 1.6300967784123905
Energy: 1.662903955879833
Energy: 1.6194800310525528
Energy: 1.6300967784123905
Energy: 1.6629039558736105
Energy: 1.6604076327138417
Energy: 1.6870628091510114
Energy: 1.6451606369841074
Energy: 1.660407632715916
Energy: 1.687062809190421
Energy: 1.6451568721771141
Energy: 1.6604076327200643
Energy: 1.6870628092173856
Energy: 1.6451606369778848
Energy: 1.6604076327179902
Energy: 1.6088926439527278
Energy: 1.6618748044000704
Energy: 1.6264686686575822
Energy: 1.6088926439610245
Energy: 1.6618748043938478
Energy: 1.626468668661731
Energy: 1.6088926439610245
Energy: 1.6618748043897371
Energy: 1.6264686686741383
Energy: 1.6088926439610245
Energy: 1.687977045607397
Energy: 1.6165302291136818
Energy: 1.6179517096789153
Energy: 1.655717750128361
Energy: 1.6165302291116077
Energy: 1.6179517096789153
Energy: 1.687977045607397
Energy: 1.6165302290970884
Energy: 1.6179517096747673
Energy: 1.655717750126287
Energy: 1.6530601851218534
Energy: 1.6335568135345653
Energy: 1.7003199241438822
Energy: 1.6544455005009269
Energy: 1.633556813530417
Energy: 1.8248068551358418
Energy: 1.6530601851218534
Energy: 1.6335568135366396
Energy: 1.7003199241397338
Energy: 1.654445500503001
Energy: 1.6069180515850976
Energy: 1.757108743081242
Energy: 1.6640603423675904
Energy: 1.6069180515850976
Energy: 1.7571087430895387
Energy: 1.664060342365516
Energy: 1.6069180515789128
Energy: 1.7571087430874646
Energy: 1.6640603423758873
Energy: 1.6069180515830233
Energy: 1.6895460951268633
Energy: 1.6462118428269361
Energy: 1.7919669425758793
Energy: 1.6895460951227148
Energy: 1.6462118428248622
Energy: 1.7919669425779534
Energy: 1.6895460951289374
Energy: 1.6462118428269361
Energy: 1.7919669425800275
Energy: 1.689546095133086
Energy: 1.6626228303538082
Energy: 1.6278809165266543
Energy: 1.6151017849043832
Energy: 1.662622830351734
Energy: 1.6278809165308026
Energy: 1.6150430548371182
Energy: 1.6626228303475854
Energy: 1.6278809165287282
Energy: 1.6151017849106055
Energy: 1.6626228303475854
Energy: 1.6630324927231854
Energy: 1.736827430864594
Energy: 1.6162195921919456
Energy: 1.6630324927169629
Energy: 1.736827430864594
Energy: 1.6162195921898714
Energy: 1.6630324927190374
Energy: 1.736827430866668
Energy: 1.6162195921981681
Energy: 1.663032492727334
Energy: 1.6338673339463132
Energy: 1.8443503229625657
Energy: 1.6511452769033383
Energy: 1.6338673339566843
Energy: 1.844350322966714
Energy: 1.6511452768991897
Energy: 1.6338673339463132
Energy: 1.844350322968788
Energy: 1.6511452769074866
Energy: 1.633867333942165
Energy: 1.7436372208164321
Energy: 1.688556478625992
Energy: 1.6089475377719777
Energy: 1.7436372208164321
Energy: 1.688556478628066
Energy: 1.6089475377657552
Energy: 1.7436372208102096
Energy: 1.6885564786301401
Energy: 1.6089475377844231
Energy: 1.7436372208122837
Energy: 1.6383768263565728
Energy: 1.7076677297739395
Energy: 1.6622546466608545
Energy: 1.6383768263544989
Energy: 1.7076677297780878
Energy: 1.6622546466567063
Energy: 1.6383768263565728
Energy: 1.7076677297739395
Energy: 1.6622546466567063
Energy: 1.6383768263503502
Energy: 1.6280770374497981
Energy: 1.6625963414689549
Energy: 1.6595274345659214
Energy: 1.6280770374477243
Energy: 1.6625963414627323
Energy: 1.659527434563847
Energy: 1.6280770374539468
Energy: 1.6625963414585838
Energy: 1.6595274345576245
Energy: 1.6280770374539468
Energy: 1.6974710475384094
Energy: 1.6058788392645873
Energy: 1.6933537918484869
Energy: 1.697471047532187
Energy: 1.6058788392625134
Energy: 1.6933537918567838
Energy: 1.6974710475301127
Energy: 1.6058788392625134
Energy: 1.6933537918567838
Energy: 1.6974710475363353
Energy: 1.6734228238098423
Energy: 1.7989550250284674
Energy: 1.640374664994565
Energy: 1.6734228238119164
Energy: 1.7989550250284674
Energy: 1.640374664984194
Energy: 1.6734228238222872
Energy: 1.798955025032616
Energy: 1.6403746649904163
Energy: 1.6734228238160649
Energy: 1.6985733186032164
Energy: 1.6166350466279285
Energy: 1.6468445302632537
Energy: 1.6985733186032164
Energy: 1.616629039161409
Energy: 1.646844530271513
Energy: 1.6985733186073648
Energy: 1.6166350466320767
Energy: 1.646844530271513
Energy: 1.6985733186073648
Energy: 1.6601273210223477
Energy: 1.6440331927447682
Energy: 1.6279141441432279
Energy: 1.6601273210306446
Energy: 1.6440331927530651
Energy: 1.6279141441307825
Energy: 1.6601273210368295
Energy: 1.6440331927468423
Energy: 1.62791414412456
Energy: 1.6601273210264962
Energy: 1.7465363757415533
Energy: 1.6726372296064724
Energy: 1.6398589893089397
Energy: 1.7465363757519243
Energy: 1.6726372296189174
Energy: 1.6398574924928073
Energy: 1.7465363757519243
Energy: 1.6726372296126948
Energy: 1.6398589892985687
Energy: 1.7465363757436276
Energy: 1.609221377764909
Energy: 1.6603628917783313
Energy: 1.7154258675770944
Energy: 1.609221377766983
Energy: 1.6603628917783313
Energy: 1.7154258675687977
Energy: 1.6092213777628346
Energy: 1.6603628917845539
Energy: 1.7154258675605008
Energy: 1.6092213777545379
Energy: 1.6511553297806674
Energy: 1.8296786056300003
Energy: 1.6336940472782595
Energy: 1.6511553297765191
Energy: 1.829678605636223
Energy: 1.6336940472886305
Energy: 1.6511553297765191
Energy: 1.8296786056403336
Energy: 1.6336940472824082
Energy: 1.6511553297806674

minimum gb energy = 1.605577599651429 eV
minimum distance =  2.25595712445731 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.4850567551920404
Energy: 1.6831923445064276
Energy: 1.6832734706765446
Energy: 1.4850567551912848
Energy: 1.6831923445086947
Energy: 1.683273470680323
Energy: 1.4850567551927962
Energy: 1.6831923445071832
Energy: 1.6832734706765446
Energy: 1.4850567551920404
Energy: 1.5490891981217554
Energy: 1.4518010856946257
Energy: 1.4618274372521352
Energy: 1.5490891981240227
Energy: 1.4518010856961372
Energy: 1.4618274372468456
Energy: 1.549089198125534
Energy: 1.4518010856946257
Energy: 1.4618274372513793
Energy: 1.5490891981232668
Energy: 1.6136293352945057
Energy: 1.438754572624584
Energy: 1.6453399854659247
Energy: 1.6136293352945057
Energy: 1.438754572622317
Energy: 1.645352173400507
Energy: 1.6136293352952613
Energy: 1.4387545726238282
Energy: 1.645340198118278
Energy: 1.61362933529375
Energy: 1.4676242618314472
Energy: 1.5491146347593292
Energy: 1.4681470582364835
Energy: 1.4676242618329585
Energy: 1.549114634762352
Energy: 1.4681470582364835
Energy: 1.4676242618284245
Energy: 1.5491146347593292
Energy: 1.4681470582364835
Energy: 1.4676242618284245
Energy: 1.4877364991795776
Energy: 1.4653617876894949
Energy: 1.851414267968291
Energy: 1.4877364991780662
Energy: 1.4653617876917617
Energy: 1.851414267968291
Energy: 1.4877364991780662
Energy: 1.4653617876894949
Energy: 1.8514142679675354
Energy: 1.4877364991788218
Energy: 1.4706725625205068
Energy: 1.554970878269416
Energy: 1.4516454815634399
Energy: 1.470672562525041
Energy: 1.5549708782724387
Energy: 1.4516454815604174
Energy: 1.4706725625197512
Energy: 1.554970878269416
Energy: 1.451645481564951
Energy: 1.470672562525041
Energy: 1.5482385481349494
Energy: 1.4734817168989687
Energy: 1.4390441317129568
Energy: 1.5482385481462844
Energy: 1.5116678820259872
Energy: 1.439044131714468
Energy: 1.5482385481372165
Energy: 1.5116678820259872
Energy: 1.4390441317129568
Energy: 1.5482385481447731
Energy: 1.454155707446005
Energy: 1.6099575666133223
Energy: 1.4607100060977576
Energy: 1.4541557074490277
Energy: 1.6099575666110553
Energy: 1.4607100060954905
Energy: 1.4541557074437381
Energy: 1.609957566614078
Energy: 1.4607100060977576
Energy: 1.454155707448272
Energy: 1.6765701685749206
Energy: 1.4665941710637571
Energy: 1.4657987790241607
Energy: 1.6765701685726535
Energy: 1.4665941710667796
Energy: 1.465798779023405
Energy: 1.6765701685726535
Energy: 1.4665941710630013
Energy: 1.4657987790241607
Energy: 1.676570168571898
Energy: 1.5583324451043679
Energy: 1.5758785986217356
Energy: 1.6217810927372298
Energy: 1.5583324451058793
Energy: 1.5758785986209798
Energy: 1.6217810927387413
Energy: 1.558332445106635
Energy: 1.5758785986217356
Energy: 1.621781092736474
Energy: 1.5583324451051235
Energy: 1.4391626988982684
Energy: 1.43892676158214
Energy: 1.5014656568241544
Energy: 1.4391626989012911
Energy: 1.438926761577606
Energy: 1.5461613940674088
Energy: 1.4391626988975126
Energy: 1.43892676158214
Energy: 1.5461613940621193
Energy: 1.439162698899024
Energy: 1.5765513581461699
Energy: 1.4506912862623607
Energy: 1.6483033448432582
Energy: 1.5765513581446586
Energy: 1.4506912862631163
Energy: 1.648303344840991
Energy: 1.5765513581461699
Energy: 1.4506912862631163
Energy: 1.6483033448440139
Energy: 1.576551358143903
Energy: 1.4660050166330578
Energy: 1.8767327299072307
Energy: 1.4658596667438089
Energy: 1.466005016627768
Energy: 1.8767327299072307
Energy: 1.4658596667422974
Energy: 1.4660050166330578
Energy: 1.8767327299079866
Energy: 1.465859666743053
Energy: 1.466005016627768
Energy: 1.4705065299665026
Energy: 1.4508411191187534
Energy: 1.5487581650618834
Energy: 1.4705065299687694
Energy: 1.4508411191157307
Energy: 1.5487581650641506
Energy: 1.4705065299642355
Energy: 1.450841119117242
Energy: 1.548758165061128
Energy: 1.4705065299665026

minimum gb energy = 1.438754572622317 eV
minimum distance =  2.25883098933885 Angstroms
sigma value = 33