Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_000
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=3.613315671682358
cohesive_energy=3.5402784094053223
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: 0.015500081611961414
Energy: 0.3224305361681075
Energy: 0.3224305361681075
Energy: 0.015500081611961414
Energy: 0.3224305361681075
Energy: 0.3224305361681075
Energy: 0.015500081611961414
Energy: 0.3224305361681075
Energy: 0.3224305361681075
Energy: 0.015500081613408274
Energy: 0.31933255504120506
Energy: 0.01833856020038609
Energy: 0.31939138564179065
Energy: 0.31933255504120506
Energy: 0.01833856020038609
Energy: 0.31939138564034375
Energy: 0.31933255504120506
Energy: 0.01833856020038609
Energy: 0.31939138564179065
Energy: 0.31933255504120506
Energy: 1.0853465092705745
Energy: 0.48663791360844494
Energy: 0.489833707335263
Energy: 0.8607012186382756
Energy: 0.1765841491647062
Energy: 0.7289365165234293
Energy: 0.8607647944191222
Energy: 0.01592061459987532
Energy: 0.7289365165234293
Energy: 0.8607749886241954
Energy: 0.31933255504120506
Energy: 0.31939138564179065
Energy: 0.018338560201832946
Energy: 0.31933255504120506
Energy: 0.31939138564179065
Energy: 0.018338560201832946
Energy: 0.31933255504120506
Energy: 0.31939138564179065
Energy: 0.018338560201832946
Energy: 0.31933255504120506
Energy: 0.015500081611961414
Energy: 0.3224305361681075
Energy: 0.3224305361681075
Energy: 0.015500081611961414
Energy: 0.3224305361681075
Energy: 0.3224305361681075
Energy: 0.015500081611961414
Energy: 0.3224305361681075
Energy: 0.3224305361681075
Energy: 0.015500081611961414
Energy: 0.31933255504120506
Energy: 0.01833856020038609
Energy: 0.31939138564179065
Energy: 0.31933255504120506
Energy: 0.01833856020038609
Energy: 0.31939138564179065
Energy: 0.31933255504120506
Energy: 0.01833856020038609
Energy: 0.31939138564179065
Energy: 0.31933255504120506
Energy: 0.8607250112477884
Energy: 0.7076898059683144
Energy: 0.489833707335263
Energy: 0.8607289181533615
Energy: 0.33334856868614415
Energy: 0.7289365165234293
Energy: 0.8607606102319331
Energy: 0.01592061460132218
Energy: 0.7289365165234293
Energy: 0.8607747627440089

minimum gb energy = 0.015500081611961414 eV
minimum distance =  2.31389521903388 Angstroms
sigma value = 3


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

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Energy: 1.0685716817946143
Energy: 1.0688048765496239
Energy: 0.9118931805444097
Energy: 1.0685716817956452
Energy: 1.068804876548593
Energy: 0.933758023719541
Energy: 1.0685716817935187
Energy: 1.0688048765496239
Energy: 0.9118931805447962
Energy: 1.263113619625074
Energy: 0.8935747345309224
Energy: 1.0512963323872262
Energy: 1.263113619625074
Energy: 0.8935747345302135
Energy: 1.051296332389675
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Energy: 1.051296332387935
Energy: 1.2631136196246875
Energy: 0.9968526828130617
Energy: 1.1395601547033982
Energy: 1.2026627602327882
Energy: 1.0028083487878332
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Energy: 1.2026627602331748
Energy: 0.9968526828162191
Energy: 1.1395601547037204
Energy: 1.2026627602327882
Energy: 1.0028083487842891
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Energy: 1.2062015657459975
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Energy: 1.0704885437495157
Energy: 1.2062015657452887
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Energy: 0.8874620374403658
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Energy: 1.2191127793299439
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Energy: 1.06686275565532
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Energy: 0.8934800612575018
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Energy: 1.0474881398064784
Energy: 0.9146136121379429
Energy: 0.9933669756547173
Energy: 1.2900860413129036
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Energy: 1.046713936108048
Energy: 1.0477719825699345
Energy: 1.0696105699770742
Energy: 1.2998998058299203
Energy: 0.9957914146896907
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Energy: 1.299899805828825
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Energy: 0.8973399939726923
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Energy: 0.7959534275709313
Energy: 1.2704792346510967
Energy: 1.1706888336672936
Energy: 0.7959534275709313
Energy: 1.2704792346525144
Energy: 1.1706888336669714
Energy: 0.7959534275691915
Energy: 1.2704792346518055
Energy: 1.170688833665876
Energy: 0.7959534275716402
Energy: 1.0721691245592304
Energy: 0.8331109645451267
Energy: 1.0785275927628435
Energy: 1.0721691245581348
Energy: 0.8331109645440311
Energy: 1.0785275927621345
Energy: 1.072169124557426
Energy: 0.8331109645437089
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Energy: 1.0721691245578127
Energy: 0.9011106217987346
Energy: 1.3751130514415668
Energy: 1.0282979821706997
Energy: 0.9011106217969947
Energy: 1.3751130514394403
Energy: 1.028297982169991
Energy: 0.9011106217973169
Energy: 1.3751130514415668
Energy: 1.02829798216896
Energy: 0.9011106217977036
Energy: 0.9056366004070313
Energy: 1.0625509431560143
Energy: 0.8894243534007996
Energy: 0.9056366004031648
Energy: 1.0625509431588493
Energy: 0.8894605337547495
Energy: 0.9056366004031648
Energy: 1.0625509431584628
Energy: 0.8894243534022174
Energy: 0.9056366004056136
Energy: 0.8831395063170349
Energy: 1.0685716817949364
Energy: 1.0688048765503326
Energy: 0.8834918413686004
Energy: 1.0685716817960316
Energy: 1.068804876549302
Energy: 0.8831395063184526
Energy: 1.0685716817956452
Energy: 1.0688048765489149
Energy: 0.8834918413689868
Energy: 1.2631136196272004
Energy: 0.8935747345309224
Energy: 1.0512963323886437
Energy: 1.2631136196279094
Energy: 0.8935747345295048
Energy: 1.0512963323875484
Energy: 1.2631136196272004
Energy: 0.8935747345287959
Energy: 1.0512963323861306
Energy: 1.2631136196264916
Energy: 1.0550062662098787
Energy: 1.1395601547037204
Energy: 1.2026627602331748
Energy: 1.0565638209518895
Energy: 1.1395601547026895
Energy: 1.2026627602327882
Energy: 1.0550062662094921
Energy: 1.1395601547030119
Energy: 1.2026627602320794
Energy: 1.0565638209494408
Energy: 1.0704885437484202
Energy: 1.2062015657459975
Energy: 0.8326552342608532
Energy: 1.0704885437488068
Energy: 1.2062015657459975
Energy: 0.8326552342601443
Energy: 1.0704885437509333
Energy: 1.2062015657456109
Energy: 0.8326552342601443
Energy: 1.0704885437502245

minimum gb energy = 0.7959534275691915 eV
minimum distance =  2.27333990192355 Angstroms
sigma value = 75


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

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Energy: 0.919776783411942
Energy: 0.9180136598868615
Energy: 1.0119131205910565
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minimum gb energy = 0.9019642817619741 eV
minimum distance =  2.26715618151771 Angstroms
sigma value = 105


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

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Energy: 1.0200283036420634
Energy: 1.0568940250157384
Energy: 1.0708247073339467
Energy: 1.0156947742226383
Energy: 1.0259038101806124
Energy: 1.070824707332173
Energy: 1.0200283036407154
Energy: 1.0157957431189477
Energy: 1.1644401288204804
Energy: 1.0741111189841552
Energy: 1.1738026231063914
Energy: 1.1517716290177686
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Energy: 1.1738026231062142
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Energy: 1.1738026231060015
Energy: 1.1517716290160305
Energy: 1.2405103033380005
Energy: 1.1157599424808722
Energy: 1.0335469174211016
Energy: 1.2232333815953396
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Energy: 1.0174160444469054
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Energy: 1.1157599424820426
Energy: 1.0335469174203213
Energy: 1.2232333815939915
Energy: 1.0444272533503776
Energy: 0.9731446290020566
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Energy: 1.1186462383800388
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Energy: 0.9770781994241284
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Energy: 1.1303226776046016
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Energy: 1.2222437980506704
Energy: 1.1303226776046016
Energy: 0.9771754317175484
Energy: 1.2200164700520448
Energy: 0.9759190291670585
Energy: 1.1181605067953928
Energy: 1.2200164700514773
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Energy: 1.2200164700518674
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Energy: 1.220016470052648
Energy: 1.115114863331828
Energy: 1.0618393014596188
Energy: 1.1077284933068932
Energy: 1.109967503289485
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Energy: 1.1067469537870278
Energy: 1.0929724457022152
Energy: 1.0618393014603993
Energy: 1.0665070646300268
Energy: 1.1048966622793048
Energy: 1.0370314487253511
Energy: 1.0345252548413821
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Energy: 1.036924774526123
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Energy: 1.0370314487259187
Energy: 1.034525254840779
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Energy: 1.0369247745247752
Energy: 1.1428200935670911
Energy: 1.0758711661185636
Energy: 1.063268311431745
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Energy: 1.0758711661189537
Energy: 1.063268311430787
Energy: 1.142820093565708
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Energy: 1.063268311432738
Energy: 1.142820093566098
Energy: 1.095356143597016
Energy: 1.093676165367507
Energy: 1.145974686987435
Energy: 1.0953561435987544
Energy: 1.0936761653680744
Energy: 1.1459746869876122
Energy: 1.0953561436007053
Energy: 1.093676165367294
Energy: 1.1459746869882155
Energy: 1.0953561435989672
Energy: 1.0842066041117258
Energy: 1.0409173237003166
Energy: 1.08793186147972
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Energy: 1.0409173237010971
Energy: 1.0776454034384835
Energy: 1.1292822606278168
Energy: 1.0409173237014875
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Energy: 1.1292822606287745
Energy: 1.1275348161596859
Energy: 1.1467272002116164
Energy: 1.0133783682976223
Energy: 1.1275348161595082
Energy: 1.14672720021339
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Energy: 1.1275348161596859
Energy: 1.1467272002127868
Energy: 1.0133783682977995
Energy: 1.1275348161608565
Energy: 1.089340519219446
Energy: 1.0630245226771495
Energy: 1.101454442240303
Energy: 1.089340519218843
Energy: 1.063024522677717
Energy: 1.1014544422412962
Energy: 1.0893405192200136
Energy: 1.0630245226773267
Energy: 1.1014544422416863
Energy: 1.0893405192192334
Energy: 1.047892589158488
Energy: 1.0352228208972984
Energy: 1.0363153595757302
Energy: 1.047892589158098
Energy: 1.0352228208976884
Energy: 1.0363153595761205
Energy: 1.0478925891587008
Energy: 1.0352228208984688
Energy: 1.036315359576688
Energy: 1.0478925891573174
Energy: 1.1024467993927016
Energy: 1.0817022650423624
Energy: 1.0442641684980243
Energy: 1.1024467993923113
Energy: 1.0817553659368637
Energy: 1.044264168498237
Energy: 1.1024467993920983
Energy: 1.081702265043143
Energy: 1.0442641684995848
Energy: 1.1024467993915308
Energy: 1.2226652318168525
Energy: 1.131634001475373
Energy: 1.2091691686166552
Energy: 1.2226652318158593
Energy: 1.1316413082868217
Energy: 1.2091691686170454
Energy: 1.222665231817633
Energy: 1.1316340014763306
Energy: 1.2091691686178259
Energy: 1.2226652318172424
Energy: 1.0656029441317898
Energy: 1.0473698878265396
Energy: 0.9749940308517676
Energy: 1.0656029441325703
Energy: 1.0473698878274973
Energy: 0.9749940308504197
Energy: 1.065602944133138
Energy: 1.0473698878261493
Energy: 0.9749940308508097
Energy: 1.0656029441337407
Energy: 1.091519337894847
Energy: 1.1187882779664688
Energy: 1.1230442043195688
Energy: 1.0915193378944568
Energy: 1.118959803313506
Energy: 1.123044204319782
Energy: 1.0915193378944568
Energy: 1.1187882779678167
Energy: 1.1230442043195688
Energy: 1.091519337894847
Energy: 1.1967877766760022
Energy: 1.0710958719807417
Energy: 1.1416895421389126
Energy: 1.1967877766763924
Energy: 1.0395614866313478
Energy: 1.1416895421404731
Energy: 1.1967877766760022
Energy: 1.0710958719832957
Energy: 1.141689542140083
Energy: 1.1967877766757893
Energy: 1.0708313277270263
Energy: 1.0138072974638401
Energy: 1.139453584336302
Energy: 1.0708313277284096
Energy: 1.0139194413886699
Energy: 1.1394535843351317
Energy: 1.0708313277276293
Energy: 1.0138072974654009
Energy: 1.1394535843353444
Energy: 1.0708313277284096

minimum gb energy = 0.9674195514590511 eV
minimum distance =  2.25730627435959 Angstroms
sigma value = 165


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

Energy: 0.9456013962550364
Energy: 1.008174576500254
Energy: 1.0100499011264306
Energy: 0.9121846124481676
Energy: 1.008174576500254
Energy: 1.0100499011264306
Energy: 0.9456013962523572
Energy: 1.0081745765009238
Energy: 1.0100499011264306
Energy: 0.9121846124474977
Energy: 1.0654787535660268
Energy: 1.072520093531575
Energy: 1.072636625266606
Energy: 1.0654787535660268
Energy: 1.0725200935309052
Energy: 1.0726366252284598
Energy: 1.0654787535653572
Energy: 1.0725200935302355
Energy: 1.072636624958666
Energy: 1.0654787535653572
Energy: 0.9909908700999874
Energy: 1.175697459992872
Energy: 1.0869945005709023
Energy: 0.9909908700999874
Energy: 1.175697459993542
Energy: 0.9091073159158753
Energy: 0.9909908700993177
Energy: 1.175697459992872
Energy: 1.0869945005729114
Energy: 0.9909908701013269
Energy: 1.0646388926771464
Energy: 1.1313100447936728
Energy: 0.9219472232112721
Energy: 1.0646388926771464
Energy: 1.1313100447943423
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Energy: 1.1313100447950122
Energy: 0.9219472232106022
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Energy: 1.0574747678059508
Energy: 1.039063518388743
Energy: 1.0126714357125524
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Energy: 1.039063518388743
Energy: 1.0126714357125524
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Energy: 1.0390635183900827
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Energy: 1.0574747678059508
Energy: 0.908517199522764
Energy: 1.1403927563587462
Energy: 1.0724122139336476
Energy: 0.9085171995220942
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Energy: 0.908517199522764
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Energy: 1.0846342581848725
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Energy: 1.0846342581855422
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Energy: 1.0324281741586223
Energy: 1.1011366187362848
Energy: 1.0712790425981953
Energy: 1.0709939046397579
Energy: 1.1011366187356153
Energy: 1.0712790425975254
Energy: 1.0709939046397579
Energy: 1.1011366187369547
Energy: 1.0712790425975254
Energy: 1.0709939046404275
Energy: 1.1011366187376248
Energy: 1.026638869693022
Energy: 1.0746152980901205
Energy: 1.0846063470186638
Energy: 1.0266388696916826
Energy: 1.0746152980894506
Energy: 1.0845817346301738
Energy: 1.026638869693692
Energy: 1.0746152980901205
Energy: 1.0846063470186638
Energy: 1.026638869693022
Energy: 0.9564430620051974
Energy: 1.0737042183598062
Energy: 1.2115129047172664
Energy: 0.9215186269987842
Energy: 1.0737042183598062
Energy: 1.211512904717936
Energy: 0.956443062009216
Energy: 1.0737042183598062
Energy: 1.2115129047172664
Energy: 0.9215186270028027
Energy: 1.0589890680704896
Energy: 1.0143720089010573
Energy: 1.0859798162786045
Energy: 1.153187872365812
Energy: 1.0143720089010573
Energy: 1.0465253514115118
Energy: 1.0589890680711596
Energy: 1.0143720089003878
Energy: 1.085979816277935
Energy: 1.1531878723644722
Energy: 1.0909606799500537
Energy: 0.9220716655841087
Energy: 1.146426511660362
Energy: 1.0909606799500537
Energy: 0.9220716655834388
Energy: 1.146426511660362
Energy: 1.0909606799507234
Energy: 0.9220716655820993
Energy: 1.1464265116596921
Energy: 1.0909606799493836
Energy: 1.0300537756172452
Energy: 1.040275082147086
Energy: 1.1357876639870612
Energy: 1.0300537756159054
Energy: 1.040275082147756
Energy: 1.1357876639863915
Energy: 1.0300537756172452
Energy: 1.0402750821464166
Energy: 1.1357876639863915
Energy: 1.0300537756172452
Energy: 1.0231938169218056
Energy: 1.0128475210924972
Energy: 0.9085125993694153
Energy: 1.0231938169231451
Energy: 1.012847524415051
Energy: 0.9085125993700851
Energy: 1.0231938169224755
Energy: 1.012847513364835
Energy: 0.9085125993694153
Energy: 1.0231938169224755
Energy: 0.9121846124468281
Energy: 1.0081745764995842
Energy: 1.0100499011277702
Energy: 0.9121846124481676
Energy: 1.0081745764995842
Energy: 1.0100499011277702
Energy: 0.9121846124468281
Energy: 1.008174576500254
Energy: 1.0100499011264306
Energy: 0.9121846124474977

minimum gb energy = 0.9085125993694153 eV
minimum distance =  2.34572102405687 Angstroms
sigma value = 41


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

Energy: 0.9124028146441842
Energy: 1.012160047468558
Energy: 1.027914873022816
Energy: 0.8846986613460753
Energy: 1.012160047468558
Energy: 1.027914873022816
Energy: 0.9124028146441842
Energy: 1.012160047468558
Energy: 1.027914873022816
Energy: 0.884698661348674
Energy: 1.0844327469982498
Energy: 0.8970157067525669
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Energy: 1.0844327470008484
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Energy: 1.0844327470008484
Energy: 0.8736715266826968
Energy: 0.8378546604187913
Energy: 0.8721744660218945
Energy: 0.9471154141356729
Energy: 0.8378546604213899
Energy: 0.8536486137187873
Energy: 0.9108281574090856
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Energy: 0.8538259491117108
Energy: 0.9038680926980562
Energy: 0.8151090576783517
Energy: 0.8390801795390775
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Energy: 0.8151090576783517
Energy: 0.8390801795442748
Energy: 0.8107943890921384
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Energy: 0.839080179541676
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Energy: 0.8151090576757531
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Energy: 0.8200210230319999
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Energy: 0.8201031739963377
Energy: 0.8789369129752566
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Energy: 0.8200210230345985
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Energy: 0.9017057804303386
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Energy: 0.9017057804329371
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Energy: 1.0462088639326905
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Energy: 0.9402390819309147
Energy: 0.9133450432799431
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Energy: 0.8366274375315765
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Energy: 0.8644022429079038
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Energy: 1.0706633460591777
Energy: 0.8827900177055379
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Energy: 1.0026360563866081
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Energy: 1.0026360563866081
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Energy: 0.9379926166454075
Energy: 0.873753511576549
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Energy: 0.9379926166557548
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Energy: 0.8103134516999227
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Energy: 0.8078352892677099
Energy: 0.8953561083094402
Energy: 0.957035465059009
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Energy: 1.0646106237720407
Energy: 0.7986177389608003
Energy: 0.9555175275929035
Energy: 1.0646106237746393
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Energy: 0.9163765090517826
Energy: 0.7900801269367225
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Energy: 0.7900801269367225
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Energy: 0.9122889594452439
Energy: 0.8380406009210818
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Energy: 0.8947317483401835
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Energy: 0.8947317483375847
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Energy: 1.0344508904680059
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Energy: 1.046647964071567
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Energy: 0.8685747055157065
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Energy: 0.8827160750646794
Energy: 0.7892927689152656
Energy: 0.9596206333519822
Energy: 0.7904479141295249
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Energy: 0.8615681350064326
Energy: 0.9693065635784763
Energy: 0.8763681577648603
Energy: 0.861568135003834
Energy: 0.9693065635758777
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Energy: 0.9693065635758777
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Energy: 0.861568135003834
Energy: 0.8109365310920643
Energy: 0.812277157922157
Energy: 0.805693213475821
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Energy: 1.0189112902682413
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Energy: 1.0189112902682413
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Energy: 0.9183961215071043
Energy: 0.9171675686181094
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Energy: 1.0424637575794842
Energy: 0.9183961215097028
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Energy: 1.0424637575768854
Energy: 0.8906728357759914
Energy: 1.0745049316372952
Energy: 0.9124151993814926
Energy: 1.009591949418474
Energy: 1.0745049316372952
Energy: 0.9124151993788939
Energy: 1.0095919494210728
Energy: 1.0745049316372952
Energy: 0.9124151993788939
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Energy: 1.0745049316346964
Energy: 0.8743535852133982
Energy: 0.9824972582674416
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Energy: 0.9085765337007549
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Energy: 0.9085765339370888
Energy: 1.0168530545066687
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Energy: 0.8238644381913698
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Energy: 0.9139226674466344
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Energy: 0.9139226674517845
Energy: 0.8840243368683833
Energy: 0.9884630616929102
Energy: 0.9385622163709515
Energy: 1.0599973681137809
Energy: 0.9884630616903116
Energy: 0.9385622163709515
Energy: 1.0599973681137809
Energy: 0.9884630616929102
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Energy: 1.0599973681137809
Energy: 0.9884630616955088
Energy: 0.9977219296237536
Energy: 0.8786294121922517
Energy: 0.885720733747266
Energy: 0.9977219296263522
Energy: 0.8786294121948504
Energy: 0.885720733747266
Energy: 0.9977219296237536
Energy: 0.878629412197449
Energy: 0.885720733747266
Energy: 0.9977219296263522
Energy: 0.8924286756033593
Energy: 0.9724499873450511
Energy: 0.9452745943274636
Energy: 0.8924286756033593
Energy: 0.9702312030650226
Energy: 0.9452745943274636
Energy: 0.8924286756007607
Energy: 0.9724499873476496
Energy: 0.9452745943274636
Energy: 0.8924286756033593
Energy: 0.8110302474728657
Energy: 0.807657587306014
Energy: 0.8124396081403615
Energy: 0.8110302474702671
Energy: 0.804535712741749
Energy: 0.812811592712023
Energy: 0.8110302474728657
Energy: 0.8076575873034153
Energy: 0.8124396081481575
Energy: 0.8110302474728657
Energy: 0.9304444645930051
Energy: 0.8131632317585534
Energy: 0.8153271902502105
Energy: 0.9304444645930051
Energy: 0.813156458639468
Energy: 0.8153271902476117
Energy: 0.9304444645930051
Energy: 0.813163231761152
Energy: 0.8153271902476117
Energy: 0.9304444645930051
Energy: 1.1530951689191145
Energy: 0.8388378498649869
Energy: 0.9875001122603249
Energy: 1.153095168921713
Energy: 0.8385279969094945
Energy: 0.9875001122577263
Energy: 1.1530951689191145
Energy: 0.8388378498649869
Energy: 0.9875001122603249
Energy: 1.1530951689191145
Energy: 1.0459742436389414
Energy: 0.901778131815283
Energy: 0.7924132983687676
Energy: 1.0459742436389414
Energy: 0.9017781318178818
Energy: 0.7924132983687676
Energy: 1.0459742436441388
Energy: 0.9017781318178818
Energy: 0.7924132983687676
Energy: 1.0459742436337442

minimum gb energy = 0.7784423142713663 eV
minimum distance =  2.2526692395802 Angstroms
sigma value = 185


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

Energy: 0.695968709562968
Energy: 0.39003864188058557
Energy: 0.9817986341764727
Energy: 0.44541153983571585
Energy: 0.3900386418799686
Energy: 0.9817986341758557
Energy: 0.6959687095614256
Energy: 0.390038641880894
Energy: 0.9817986341767809
Energy: 0.44541153983571585
Energy: 0.6457350935149853
Energy: 0.3833650413294628
Energy: 0.6993735886537136
Energy: 0.6005513516721254
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Energy: 0.7584889951368973
Energy: 0.6457350935152937
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Energy: 0.6993735879386771
Energy: 0.600551351669966
Energy: 0.48373655731558785
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Energy: 0.3909833906089689
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Energy: 1.0202574561338558
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Energy: 0.3925792825892565
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Energy: 0.5822010286053456
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Energy: 0.4119416780749101
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Energy: 0.483378454024099
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Energy: 0.4833784540234821
Energy: 0.6082244178370005
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Energy: 0.6156410339573126
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Energy: 0.608224417837309
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Energy: 0.6156410339570042
Energy: 0.5188865422774434
Energy: 0.3900386418815109
Energy: 0.9817986341767809
Energy: 0.518979264485045
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Energy: 0.9817986341758557
Energy: 0.518979264486279
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Energy: 0.6679006886617442
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Energy: 0.3899569455502026
Energy: 0.484041915867189
Energy: 0.48339778877570233
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Energy: 0.41262385515095534
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Energy: 0.6817459159266059
Energy: 0.39098339060927734
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Energy: 0.39098339060804344
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Energy: 0.39257928258894803
Energy: 1.0202574561323134
Energy: 0.4834149417072057
Energy: 0.3925792825886396
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Energy: 0.4119605181182146
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Energy: 1.0202574561338558
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Energy: 0.3925792825892565
Energy: 0.6414852895620532
Energy: 0.5888585280126934
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Energy: 0.5822010286075049
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Energy: 0.3912814530713634
Energy: 0.5256347791276306
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Energy: 0.3912814530713634
Energy: 0.5822010286053456
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Energy: 0.3912814530725974
Energy: 0.6411823757398855
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Energy: 0.3835743569411957
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Energy: 0.3835743569421211
Energy: 0.641182375740194
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Energy: 0.6411823757398855
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Energy: 0.3898136362632849
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Energy: 0.5947596889687222
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Energy: 0.38981363626544424
Energy: 0.5947596889724238
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Energy: 0.3909833906089689
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Energy: 0.3909833906089689
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Energy: 1.020257456133239
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Energy: 1.0202574561338558
Energy: 0.5200593605424627
Energy: 0.3925792825886396
Energy: 1.0202574561344726
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Energy: 0.3925792825886396
Energy: 0.6414852895623617
Energy: 0.7397478188692674
Energy: 0.5575040429650565
Energy: 0.6414852895620532
Energy: 0.6089550064266016
Energy: 0.6087246393890609
Energy: 0.6414852895611278
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Energy: 0.5575040429650565
Energy: 0.6414852895596135
Energy: 0.3912814530719804
Energy: 0.5535463184185083
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Energy: 0.5822010286056541
Energy: 0.7021372571816351
Energy: 0.3912814530725974
Energy: 0.5535463184188169
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Energy: 0.6411823757392687
Energy: 0.412074459231855
Energy: 0.38357435694181263
Energy: 0.641182375739577
Energy: 0.48335422429389907
Energy: 0.38357435694242953
Energy: 0.6411823757405025
Energy: 0.412074459231855
Energy: 0.3835743569421211
Energy: 0.641182375740194
Energy: 0.6177973518725668
Energy: 0.5064459196491468
Energy: 0.38981363626421034
Energy: 0.5195663985902303
Energy: 0.5677432126328606
Energy: 0.38981363626451876
Energy: 0.6177973518691735
Energy: 0.5064459196482493
Energy: 0.3898136362651357
Energy: 0.5195663985902303
Energy: 0.4119416780749101
Energy: 0.41263864339356005
Energy: 0.38344932999105874
Energy: 0.4833784540234821
Energy: 0.4840012796002873
Energy: 0.38344932999105874
Energy: 0.4119416780752186
Energy: 0.4126386433914008
Energy: 0.3834493299926012
Energy: 0.48337845402286517
Energy: 0.6082244178376175
Energy: 0.6950449580298195
Energy: 0.40801228763583947
Energy: 0.6156410339573126
Energy: 0.6950449580298195
Energy: 0.408012287635531
Energy: 0.608224417837926
Energy: 0.6950449580304363
Energy: 0.40801228763522246
Energy: 0.6156410339560787

minimum gb energy = 0.38336504132884586 eV
minimum distance =  2.39638649227488 Angstroms
sigma value = 33


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

Energy: 0.7739337043883302
Energy: 0.8554891759868892
Energy: 0.8325479999722998
Energy: 0.7572799557586036
Energy: 0.8554891759868892
Energy: 0.8325479999706062
Energy: 0.7739337043866368
Energy: 0.8554891759851959
Energy: 0.8325479999689128
Energy: 0.7572799557586036
Energy: 0.9364813592978041
Energy: 0.7584326341557227
Energy: 0.8210727738136808
Energy: 0.9364813592994974
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Energy: 0.9364813592978041
Energy: 0.9052263250588878
Energy: 0.6922669471421801
Energy: 0.8502537129493519
Energy: 0.9174220119155114
Energy: 0.6922669471387931
Energy: 0.8281343334703499
Energy: 0.917422011917205
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Energy: 0.758366204775247
Energy: 0.9656262131632959
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Energy: 0.9901139251181409
Energy: 0.7583662047735535
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Energy: 0.953251296041639
Energy: 0.8019431162012943
Energy: 0.7334188523258105
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Energy: 0.9477189919958667
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Energy: 0.8484274015872643
Energy: 0.947755798837653
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Energy: 0.9477189919941733
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Energy: 0.8264843881980685
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Energy: 0.8013283674301758
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Energy: 0.742836686974529
Energy: 1.0025903646645202
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Energy: 0.9410315736690912
Energy: 0.7586935173479854
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Energy: 0.9410315736673975
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Energy: 0.9410315736673975
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Energy: 0.8247021977719596
Energy: 1.0423488737542186
Energy: 0.7766344133817684
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Energy: 0.7766344133817684
Energy: 0.824702197773653
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Energy: 0.7354376085690335
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Energy: 0.7354376085690335

minimum gb energy = 0.6922669471387931 eV
minimum distance =  2.24669086085966 Angstroms
sigma value = 219


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

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Energy: 0.863393012365467
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Energy: 1.1138976519688442
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Energy: 1.1138976519688442
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Energy: 1.214309832175003
Energy: 1.1183851237624776
Energy: 1.0565115545957238
Energy: 1.214309832175003
Energy: 1.1183851237624776

minimum gb energy = 0.863393012365467 eV
minimum distance =  2.32420987204388 Angstroms
sigma value = 15


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

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Energy: 1.301018015357456
Energy: 1.1312325727489143
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minimum gb energy = 0.9971713637640419 eV
minimum distance =  2.26693381767793 Angstroms
sigma value = 293


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

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Energy: 1.0850225377311518
Energy: 1.0630937459423058
Energy: 1.254128015600391
Energy: 1.0850225377308986
Energy: 1.063093745942812
Energy: 1.0184801127986456
Energy: 1.05212030597984
Energy: 1.0844667981221685
Energy: 1.0184801127986456
Energy: 1.0521203059790576
Energy: 1.0844667981221685
Energy: 1.0184801127983691
Energy: 1.0521203059795639
Energy: 1.0844667981219154
Energy: 1.0184801127986456
Energy: 1.0745814355443444
Energy: 1.1011914991133847
Energy: 1.1274427049491318
Energy: 1.0745814355577612
Energy: 1.1011914990964469
Energy: 1.1274427049491318
Energy: 1.0745814355552297
Energy: 1.1011914991169287
Energy: 1.1274427049488784
Energy: 1.0745814355618117
Energy: 1.1451424672454813
Energy: 1.2787406866791067
Energy: 1.2783909878857507
Energy: 1.1451424672457344
Energy: 1.278740686679866
Energy: 1.2783909878837254
Energy: 1.1451424672457344
Energy: 1.278740686679866
Energy: 1.2783909878844848
Energy: 1.1451424672457344
Energy: 1.0749183399890767
Energy: 1.1274068611189516
Energy: 1.1010559017297161
Energy: 1.0749183399893298
Energy: 1.1274068611192047
Energy: 1.1010559017314883
Energy: 1.0749183399890767
Energy: 1.1274068611192047
Energy: 1.1010559017317412
Energy: 1.0749183399893298
Energy: 1.0183987776618835
Energy: 1.0844743291336643
Energy: 1.0521495272966634
Energy: 1.0183987776636325
Energy: 1.0844743291336643
Energy: 1.0521495272963872
Energy: 1.0183987776636325
Energy: 1.0844743291339176
Energy: 1.0521495272961572
Energy: 1.018398777664415
Energy: 1.0633770566384397
Energy: 1.0853659723309184
Energy: 1.2539396776985878
Energy: 1.0633770566387155
Energy: 1.085365972330412
Energy: 1.2539396776985878
Energy: 1.0633770566389458
Energy: 1.085365972330412
Energy: 1.2539396776985878
Energy: 1.0633770566387155
Energy: 1.155407278055181
Energy: 1.129050823069663
Energy: 1.3059934228514678
Energy: 1.1554072780556872
Energy: 1.12905082306865
Energy: 1.305993422851721
Energy: 1.155407278055434
Energy: 1.1290508230691565
Energy: 1.3059934228514678
Energy: 1.1554072780556872
Energy: 1.2896051769674712
Energy: 1.1024396741323765
Energy: 1.138297981090409
Energy: 1.2896051769672183
Energy: 1.1024396741323765
Energy: 1.1382979810899028
Energy: 1.2896051769672183
Energy: 1.1024396741321234
Energy: 1.1382979810896494
Energy: 1.2896051769677246
Energy: 1.1259843091444306
Energy: 1.2753073659963472
Energy: 1.3847798077357283
Energy: 1.1259843091446835
Energy: 1.2753073659963472
Energy: 1.384779807735222
Energy: 1.1259843091446835
Energy: 1.2753073659966003
Energy: 1.384779807735222
Energy: 1.1259843091449366
Energy: 1.0802714229378576
Energy: 0.9952330848944467
Energy: 0.9939859757499371
Energy: 1.0802714229376045
Energy: 0.9952330848941935
Energy: 0.9939859757474057
Energy: 1.0802714229378576
Energy: 0.9952330848944467
Energy: 0.9939859757501901
Energy: 1.0802714229373513
Energy: 1.1258284254682334
Energy: 1.3846407085354935
Energy: 1.2754877463458136
Energy: 1.1258284254682334
Energy: 1.3846407085352401
Energy: 1.2754877463453076
Energy: 1.1258284254682334
Energy: 1.3846407085354935
Energy: 1.2754877463450545
Energy: 1.1258284254682334
Energy: 1.2897552005259405
Energy: 1.1387218507009629
Energy: 1.1023503356821438
Energy: 1.2897552005256876
Energy: 1.1387218507017225
Energy: 1.1023503356821438
Energy: 1.2897552005259405
Energy: 1.1387218507007095
Energy: 1.1023503356821438
Energy: 1.2897552005256876
Energy: 1.155185034410664
Energy: 1.3060514357446498
Energy: 1.12982012841573
Energy: 1.1551850344111703
Energy: 1.3060514357446498
Energy: 1.1298201284162364
Energy: 1.155185034410664
Energy: 1.3060514357446498
Energy: 1.12982012841573
Energy: 1.1551850344114232
Energy: 1.0630937459433183
Energy: 1.254128015600391
Energy: 1.0850225377308986
Energy: 1.0630937459417995
Energy: 1.2541280156001382
Energy: 1.0850225377308986
Energy: 1.0630937459423058
Energy: 1.254128015600391
Energy: 1.0850225377311518
Energy: 1.0630937459425358

minimum gb energy = 0.9939859757438614 eV
minimum distance =  2.26715583499544 Angstroms
sigma value = 293


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

Energy: 0.9455303616365786
Energy: 0.9459745474563124
Energy: 0.9459418024904734
Energy: 0.9455303616361209
Energy: 0.9459745474553973
Energy: 0.9459418024913886
Energy: 0.9455303616365786
Energy: 0.945974547455855
Energy: 0.9459418024927612
Energy: 0.9455303616361209
Energy: 1.126982405197945
Energy: 0.9464217833989939
Energy: 1.1292890100212116
Energy: 1.1269824051970296
Energy: 0.9464217833994512
Energy: 1.1292890100212116
Energy: 1.1269824051974873
Energy: 0.9464217833999088
Energy: 1.1292890100212116
Energy: 1.1269824051970296
Energy: 0.9442636696189727
Energy: 0.9440322778815248
Energy: 1.1612179964190001
Energy: 0.9442636696180577
Energy: 0.9440322778810672
Energy: 1.1612179964185427
Energy: 0.9442636696189727
Energy: 0.9440322778815248
Energy: 1.161217996418085
Energy: 0.9442636696180577
Energy: 1.1617560780489293
Energy: 0.9439284581714616
Energy: 0.9435403369381837
Energy: 1.1617560780484717
Energy: 0.9439284581710042
Energy: 0.9435403369363536
Energy: 1.1617560780484717
Energy: 0.9439284581710042
Energy: 0.9435403369372687
Energy: 1.1617560780484717
Energy: 1.1299660006660344
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.1299660006669494
Energy: 0.9459349188401149
Energy: 1.1271519824189
Energy: 1.1299660006660344
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.129966000666492
Energy: 0.945974547455855
Energy: 0.9459418024909312
Energy: 0.9455303616361209
Energy: 0.945974547455855
Energy: 0.9459418024918461
Energy: 0.9455303616361209
Energy: 0.9459745474553973
Energy: 0.9459418024913886
Energy: 0.9455303616361209
Energy: 0.9459745474563124
Energy: 0.9464217833994512
Energy: 1.1292890100212116
Energy: 1.1269824051970296
Energy: 0.9464217833989939
Energy: 1.1292890100212116
Energy: 1.1269824051974873
Energy: 0.9464217833999088
Energy: 1.1292890100212116
Energy: 1.126982405197945
Energy: 0.9464217833994512
Energy: 0.9440322778792372
Energy: 1.1612179964194578
Energy: 0.9442636696189727
Energy: 0.9440322778801523
Energy: 1.161217996418085
Energy: 0.9442636696180577
Energy: 0.9440322778810672
Energy: 1.1612179964185427
Energy: 0.9442636696189727
Energy: 0.9440322778796948
Energy: 0.9439284581705466
Energy: 0.9435403369381837
Energy: 1.1617560780480143
Energy: 0.9439284581710042
Energy: 0.9435403369368113
Energy: 1.1617560780484717
Energy: 0.9439284581710042
Energy: 0.9435403369368113
Energy: 1.1617560780484717
Energy: 0.9439284581710042
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.1299660006660344
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.1299660006669494
Energy: 0.9459349188401149
Energy: 1.1271519824198148
Energy: 1.1299660006660344
Energy: 0.9459349188401149
Energy: 0.9459418024900161
Energy: 0.9455303616361209
Energy: 0.9459745474553973
Energy: 0.9459418024913886
Energy: 0.9455303616361209
Energy: 0.9459745474563124
Energy: 0.9459418024909312
Energy: 0.9455303616365786
Energy: 0.9459745474553973
Energy: 0.9459418024909312
Energy: 1.1292890100212116
Energy: 1.1269824051965722
Energy: 0.9464217833989939
Energy: 1.1292890100212116
Energy: 1.126982405197945
Energy: 0.9464217833989939
Energy: 1.1292890100212116
Energy: 1.1269824051970296
Energy: 0.9464217833999088
Energy: 1.1292890100212116
Energy: 1.1612179964185427
Energy: 0.9442636696180577
Energy: 0.9440322778796948
Energy: 1.1612179964190001
Energy: 0.9442636696185154
Energy: 0.9440322778801523
Energy: 1.1612179964185427
Energy: 0.9442636696180577
Energy: 0.9440322778806098
Energy: 1.1612179964190001
Energy: 0.9435403369377262
Energy: 1.1617560780480143
Energy: 0.9439284581719193
Energy: 0.9435403369363536
Energy: 1.1617560780480143
Energy: 0.9439284581714616
Energy: 0.9435403369363536
Energy: 1.1617560780480143
Energy: 0.9439284581710042
Energy: 0.9435403369377262
Energy: 1.1271519824193574
Energy: 1.129966000666492
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.1299660006660344
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.129966000666492
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 0.9455303616361209
Energy: 0.9459745474563124
Energy: 0.9459418024918461
Energy: 0.9455303616361209
Energy: 0.9459745474553973
Energy: 0.9459418024909312
Energy: 0.9455303616361209
Energy: 0.9459745474563124
Energy: 0.9459418024909312
Energy: 0.9455303616361209
Energy: 1.1269824051974873
Energy: 0.9464217833999088
Energy: 1.1292890100212116
Energy: 1.1269824051974873
Energy: 0.9464217833994512
Energy: 1.129289010020754
Energy: 1.1269824051970296
Energy: 0.9464217833994512
Energy: 1.129289010020754
Energy: 1.1269824051974873
Energy: 0.9442636696185154
Energy: 0.9440322778806098
Energy: 1.1612179964185427
Energy: 0.9442636696180577
Energy: 0.9440322778806098
Energy: 1.1612179964194578
Energy: 0.9442636696185154
Energy: 0.9440322778806098
Energy: 1.161217996418085
Energy: 0.9442636696185154
Energy: 1.1617560780480143
Energy: 0.9439284581705466
Energy: 0.9435403369363536
Energy: 1.1617560780480143
Energy: 0.9439284581710042
Energy: 0.9435403369368113
Energy: 1.1617560780475567
Energy: 0.9439284581710042
Energy: 0.9435403369363536
Energy: 1.1617560780484717
Energy: 1.1299660006660344
Energy: 0.9459349188396576
Energy: 1.1271519824193574
Energy: 1.1299660006669494
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.1299660006660344
Energy: 0.9459349188401149
Energy: 1.1271519824193574
Energy: 1.1299660006669494
Energy: 0.9459745474553973
Energy: 0.9459418024900161
Energy: 0.9455303616361209
Energy: 0.9459745474563124
Energy: 0.9459418024909312
Energy: 0.9455303616365786
Energy: 0.945974547455855
Energy: 0.9459418024904734
Energy: 0.9455303616361209
Energy: 0.9459745474563124
Energy: 0.9464217833994512
Energy: 1.1292890100212116
Energy: 1.1269824051970296
Energy: 0.9464217833994512
Energy: 1.1292890100212116
Energy: 1.1269824051970296
Energy: 0.9464217833994512
Energy: 1.129289010020754
Energy: 1.1269824051974873
Energy: 0.9464217833999088

minimum gb energy = 0.9435403369363536 eV
minimum distance =  2.336379386788 Angstroms
sigma value = 15


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

Energy: 1.0745457138334091
Energy: 1.2503955486776648
Energy: 1.372328704700741
Energy: 1.0745457138334091
Energy: 1.2503955486776648
Energy: 1.372328704700741
Energy: 1.0745457138334091
Energy: 1.2503955486776648
Energy: 1.372328704700741
Energy: 1.0745457138334091
Energy: 1.0120033543592932
Energy: 1.0583133875096866
Energy: 1.185882079672979
Energy: 1.0120033543675515
Energy: 1.0583133875096866
Energy: 1.185882079675053
Energy: 1.0120033543468492
Energy: 1.0583133875096866
Energy: 1.185882079672979
Energy: 1.012003354332331
Energy: 1.2004152722846149
Energy: 1.0591286936279583
Energy: 1.2724645443468414
Energy: 1.200415272282541
Energy: 1.0591286936258844
Energy: 1.2724645443489153
Energy: 1.2004152722846149
Energy: 1.0591286936279583
Energy: 1.2724645443489153
Energy: 1.200415272282541
Energy: 1.0583963714433529
Energy: 1.0614480001827538
Energy: 0.9905388814153928
Energy: 1.0583963714412787
Energy: 1.06144800018068
Energy: 0.9905388814153928
Energy: 1.058396371445427
Energy: 1.0614480001827538
Energy: 0.9905388814153928
Energy: 1.0583963714433529
Energy: 1.1711378391113922
Energy: 1.0640315889737944
Energy: 1.1699465677204792
Energy: 1.1711378391113922
Energy: 1.0640315889717205
Energy: 1.1699465677204792
Energy: 1.1711378391113922
Energy: 1.0640315889737944
Energy: 1.1699465677204792
Energy: 1.1711378391113922
Energy: 1.0885535679968685
Energy: 1.254376791447408
Energy: 0.9912349208484716
Energy: 1.0885535679968685
Energy: 1.2543767914453339
Energy: 0.9912349208484716
Energy: 1.0885535679968685
Energy: 1.254376791447408
Energy: 0.9912349208463977
Energy: 1.0885535679968685
Energy: 1.0610388415555485
Energy: 1.0827889226544327
Energy: 1.0873780216669304
Energy: 1.0610388415555485
Energy: 1.082788922652359
Energy: 1.0873780216690045
Energy: 1.0610388415555485
Energy: 1.082788922650285
Energy: 1.0873780216669304
Energy: 1.0610388415555485
Energy: 1.0087851484139672
Energy: 1.2264224419066374
Energy: 1.1791475699134955
Energy: 1.0087851484139672
Energy: 1.2264224419087115
Energy: 1.1791475699114213
Energy: 1.0087851484139672
Energy: 1.2264224419066374
Energy: 1.1791475699134955
Energy: 1.0087851484139672
Energy: 1.2829533887912616
Energy: 1.0539912640258238
Energy: 1.0511122817639347
Energy: 1.2829533887891875
Energy: 1.0539912640258238
Energy: 1.0511122817618608
Energy: 1.2829533887912616
Energy: 1.0539912640258238
Energy: 1.0511122817639347
Energy: 1.2829533887891875
Energy: 1.006102473455141
Energy: 1.1063751097925403
Energy: 1.1168043268209344
Energy: 1.006102473455141
Energy: 1.1063751097946144
Energy: 1.1168043268188605
Energy: 1.006102473455141
Energy: 1.1063751097925403
Energy: 1.1168043268209344
Energy: 1.006102473455141
Energy: 1.118975650165391
Energy: 0.9991627141835622
Energy: 1.0676881559177422
Energy: 1.118975650165391
Energy: 0.9991627141814884
Energy: 1.0676881559177422
Energy: 1.118975650165391
Energy: 0.9991627141835622
Energy: 1.0676881559177422
Energy: 1.118975650165391
Energy: 1.1179193012580737
Energy: 0.9906665728354515
Energy: 1.205424874831809
Energy: 1.1179193012559998
Energy: 0.9906665728375256
Energy: 1.205424874831809
Energy: 1.1179193012559998
Energy: 0.9906665728375256
Energy: 1.205424874831809
Energy: 1.1179193012559998
Energy: 1.160765352377521
Energy: 0.9904517139194847
Energy: 1.0374543897927735
Energy: 1.160765352377521
Energy: 0.9904517139215587
Energy: 1.0374543897906994
Energy: 1.160765352377521
Energy: 0.9904517139215587
Energy: 1.0374543897906994
Energy: 1.1607653523754469
Energy: 1.0063938331789197
Energy: 1.0587096431580596
Energy: 1.257579582167012
Energy: 1.0063938331789197
Energy: 1.0587096431559855
Energy: 1.257579582167012
Energy: 1.0063938331789197
Energy: 1.0587096431580596
Energy: 1.2575795821690858
Energy: 1.0063938331789197
Energy: 1.191393931230374
Energy: 1.2879686909650923
Energy: 1.007389295436302
Energy: 1.191393931230374
Energy: 1.2879686909630184
Energy: 1.007389295436302
Energy: 1.191393931230374
Energy: 1.2879686909650923
Energy: 1.007389295436302
Energy: 1.191393931230374
Energy: 1.002089657821728
Energy: 1.1396759429899406
Energy: 1.1403437663373868
Energy: 1.002089657821728
Energy: 1.1396759429899406
Energy: 1.1403437663373868
Energy: 1.0020896578238019
Energy: 1.1396759429899406
Energy: 1.1403437663373868
Energy: 1.002089657821728
Energy: 1.0583894936537588
Energy: 1.2062283528564797
Energy: 1.1269308615152975
Energy: 1.0583894936537588
Energy: 1.2062283528564797
Energy: 1.1269308615152975
Energy: 1.0583894936537588
Energy: 1.2062283528564797
Energy: 1.1269308615152975
Energy: 1.0583894936537588
Energy: 1.1187205060221088
Energy: 1.058718430983259
Energy: 1.1900909964200077
Energy: 1.1187205060221088
Energy: 1.058718430983259
Energy: 1.1900909964200077
Energy: 1.1187205060221088
Energy: 1.058718430983259
Energy: 1.1900909964200077
Energy: 1.1187205060200347
Energy: 1.0009665915834975
Energy: 1.1473701519137909
Energy: 1.0850230808748251
Energy: 1.0009665915834975
Energy: 1.1473701519137909
Energy: 1.0850230808768988
Energy: 1.0009665915834975
Energy: 1.1473701519137909
Energy: 1.0850230808748251
Energy: 1.0009665915834975
Energy: 1.162083237095224
Energy: 1.0065456532293096
Energy: 1.0406451605632474
Energy: 1.1620832370931502
Energy: 1.0065456532293096
Energy: 1.0406451605590994
Energy: 1.162083237095224
Energy: 1.0065456532272357
Energy: 1.0406451605611733
Energy: 1.1620832370972982
Energy: 1.0497023754823727
Energy: 1.0648082585420855
Energy: 1.1014145400934152
Energy: 1.0497023754823727
Energy: 1.0648082585420855
Energy: 1.1014145400954893
Energy: 1.0497023754823727
Energy: 1.0648082585420855
Energy: 1.1014145400954893
Energy: 1.0497023754823727
Energy: 1.4653860394121716
Energy: 1.361641716051077
Energy: 0.9921438226964675
Energy: 1.4653860394142455
Energy: 1.361641716051077
Energy: 0.9921438226985415
Energy: 1.4653860394121716
Energy: 1.361641716051077
Energy: 0.9921438226964675
Energy: 1.4653860394142455
Energy: 1.0597239921049102
Energy: 1.0624456452445217
Energy: 1.0877137660279808
Energy: 1.059723992102836
Energy: 1.0624456452445217
Energy: 1.0877137660259069
Energy: 1.0597239921049102
Energy: 1.0624456452445217
Energy: 1.0877137660259069
Energy: 1.059723992102836
Energy: 0.9953502321921907
Energy: 1.1300709840077625
Energy: 1.0530426036065363
Energy: 0.9953502321921907
Energy: 1.1300709840056886
Energy: 1.0530426036065363
Energy: 0.9953502321921907
Energy: 1.1300709840077625
Energy: 1.0530426036065363
Energy: 0.9953502321921907
Energy: 1.0321465702741186
Energy: 1.1633467778214197
Energy: 1.0741422295158463
Energy: 1.0321465702761927
Energy: 1.1633467778193456
Energy: 1.0741422295137721
Energy: 1.0321465702761927
Energy: 1.1633467778214197
Energy: 1.0741422295158463
Energy: 1.0321465702761927
Energy: 1.0062413511591335
Energy: 1.3994264203317988
Energy: 1.1368700216438652
Energy: 1.0062413511612076
Energy: 1.3994264203338351
Energy: 1.1368700216438652
Energy: 1.0062413511591335
Energy: 1.3994264203338351
Energy: 1.1368700216459393
Energy: 1.0062413511612076
Energy: 1.1616058641232976
Energy: 0.9982553919259793
Energy: 1.0650310979927933
Energy: 1.1616058641232976
Energy: 0.9982553919259793
Energy: 1.0650310979907194
Energy: 1.1616058641232976
Energy: 0.9982553919259793
Energy: 1.0650310979907194
Energy: 1.1616058641232976
Energy: 1.2390819744998942
Energy: 1.1810899724546766
Energy: 1.1461087829029797
Energy: 1.2390819744998942
Energy: 1.1810899724526027
Energy: 1.1461087829029797
Energy: 1.2390819744998942
Energy: 1.1810899724546766
Energy: 1.1461087829050538
Energy: 1.2390819744998942
Energy: 1.1773037756136733
Energy: 0.991547765625281
Energy: 1.033569453002719
Energy: 1.177303775615747
Energy: 0.9915477656273549
Energy: 1.033569453004793
Energy: 1.1773037756136733
Energy: 0.9915477656273549
Energy: 1.033569453002719
Energy: 1.177303775615747
Energy: 1.0578744890186162
Energy: 1.059474678555951
Energy: 1.1503169849008563
Energy: 1.0578744890186162
Energy: 1.059474678555951
Energy: 1.1503169849008563
Energy: 1.0578744890186162
Energy: 1.059474678555951
Energy: 1.1503169849008563
Energy: 1.0578744890186162
Energy: 1.1563357087465136
Energy: 1.1538625097805904
Energy: 1.0070349016813065
Energy: 1.1563357087444395
Energy: 1.1538625097805904
Energy: 1.0070349016792324
Energy: 1.1563357087465136
Energy: 1.1538625097805904
Energy: 1.0070349016813065
Energy: 1.1563357087444395
Energy: 1.056012831216905
Energy: 1.1409348546656974
Energy: 1.137781393666982
Energy: 1.0560128312148311
Energy: 1.1409348546698457
Energy: 1.137781393669056
Energy: 1.056012831216905
Energy: 1.1409348546677716
Energy: 1.137781393666982
Energy: 1.0560128312148311
Energy: 1.0742874067475046
Energy: 1.0991578902389532
Energy: 1.2020368023331414
Energy: 1.0742874067454304
Energy: 1.0991578902389532
Energy: 1.2020368023331414
Energy: 1.0742874067475046
Energy: 1.0991578902368793
Energy: 1.2020368023352153
Energy: 1.0742874067454304
Energy: 1.0740684691769282
Energy: 1.1648705558721064
Energy: 1.1480381477169153
Energy: 1.0740684691769282
Energy: 1.1648705558721064
Energy: 1.1480381477189892
Energy: 1.0740684691769282
Energy: 1.1648705558721064
Energy: 1.1480381477169153
Energy: 1.0740684691769282
Energy: 1.0565215989962862
Energy: 1.2788481122357291
Energy: 1.1821073185644373
Energy: 1.0565215989983603
Energy: 1.2788481122378033
Energy: 1.1821073185623632
Energy: 1.0565215989983603
Energy: 1.2788481122357291
Energy: 1.1821073185623632
Energy: 1.0565215989983603
Energy: 1.4666938789967654
Energy: 1.0068583978055787
Energy: 1.3129662549394003
Energy: 1.4666938789967654
Energy: 1.0068583978055787
Energy: 1.3129662549394003
Energy: 1.4666938789967654
Energy: 1.0068583978055787
Energy: 1.3129662549394003
Energy: 1.4666938789967654
Energy: 1.1924779660905473
Energy: 1.1388069741334144
Energy: 1.0066436069178852
Energy: 1.1924779660905473
Energy: 1.1388069741334144
Energy: 1.0066436069178852
Energy: 1.1924779660905473
Energy: 1.1388069741334144
Energy: 1.0066436069178852
Energy: 1.1924779660884735
Energy: 1.2288961828120957
Energy: 1.166269934066964
Energy: 0.9904003334526363
Energy: 1.2288961828120957
Energy: 1.166269934066964
Energy: 0.9904003334526363
Energy: 1.2288961828120957
Energy: 1.166269934066964
Energy: 0.9904003334526363
Energy: 1.2288961828120957
Energy: 1.0825876561156318
Energy: 1.0806536522267125
Energy: 1.0464624792755002
Energy: 1.0825876561135577
Energy: 1.0806536522267125
Energy: 1.0464624792755002
Energy: 1.0825876561156318
Energy: 1.0806536522246384
Energy: 1.0464624792755002
Energy: 1.0825876561156318
Energy: 1.1324450898755472
Energy: 1.1326361007755938
Energy: 1.0518416985652097
Energy: 1.1324450889530284
Energy: 1.1326361007755938
Energy: 1.0518416985652097
Energy: 1.1324450899211753
Energy: 1.1326361007755938
Energy: 1.0518416985652097
Energy: 1.1324450890566913
Energy: 1.006765281315732
Energy: 1.0866424811600464
Energy: 1.1205518076295071
Energy: 1.006765281315732
Energy: 1.0866424811621203
Energy: 1.120551807627433
Energy: 1.006765281315732
Energy: 1.0866424811600464
Energy: 1.120551807627433
Energy: 1.006765281315732
Energy: 1.1399982181485981
Energy: 1.0544852758338148
Energy: 1.0517410174177246
Energy: 1.139998218146524
Energy: 1.0544852758545549
Energy: 1.0517410174177246
Energy: 1.139998218146524
Energy: 1.054485275856629
Energy: 1.0517410174135766
Energy: 1.139998218150672
Energy: 1.292878386008826
Energy: 0.9989429003192826
Energy: 1.26589305400848
Energy: 1.292878386008826
Energy: 0.9989429003192826
Energy: 1.26589305400848
Energy: 1.292878386008826
Energy: 0.9989429003192826
Energy: 1.26589305400848
Energy: 1.292878386008826
Energy: 1.06062512130645
Energy: 1.4130096021920642
Energy: 1.06077545523538
Energy: 1.06062512130645
Energy: 1.4130096021920642
Energy: 1.06077545523538
Energy: 1.0606251213085238
Energy: 1.4130096021920642
Energy: 1.06077545523538
Energy: 1.0606251213085238
Energy: 1.3084627376875666
Energy: 0.9913877285771336
Energy: 1.2516352877554686
Energy: 1.3084627376854925
Energy: 0.9913877285771336
Energy: 1.2516352877575423
Energy: 1.3084627376854925
Energy: 0.9913877285771336
Energy: 1.2516352877554686
Energy: 1.3084627376854925
Energy: 1.0734845695632234
Energy: 1.006145884068349
Energy: 1.139717666969781
Energy: 1.0734845695611492
Energy: 1.006145884070423
Energy: 1.139717666969781
Energy: 1.0734845695611492
Energy: 1.006145884068349
Energy: 1.139717666969781
Energy: 1.0734845695632234
Energy: 1.1064191201579388
Energy: 1.1073861710490303
Energy: 1.008586431222617
Energy: 1.1064191201558646
Energy: 1.1073861710490303
Energy: 1.0085864312246908
Energy: 1.1064191201579388
Energy: 1.1073861710511042
Energy: 1.0085864312205428
Energy: 1.1064191201558646
Energy: 1.0520048532930677
Energy: 1.1056278963041668
Energy: 1.0782451532276844
Energy: 1.0520048532972157
Energy: 1.1056278963041668
Energy: 1.0782451532276844
Energy: 1.0520048532930677
Energy: 1.1056278963041668
Energy: 1.0782451532276844
Energy: 1.0520048532972157
Energy: 1.0539526947551356
Energy: 1.0986846620136537
Energy: 1.0992602040474955
Energy: 1.0539526947551356
Energy: 1.0986846620157278
Energy: 1.0992602040474955
Energy: 1.0539526947551356
Energy: 1.0986846620136537
Energy: 1.0992602040474955
Energy: 1.0539526947551356

minimum gb energy = 0.9904003334526363 eV
minimum distance =  2.24971354111009 Angstroms
sigma value = 437


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

Energy: 1.010280824389952
Energy: 1.0657429961324119
Energy: 1.065972944815838
Energy: 1.010280824389952
Energy: 1.0657429961324119
Energy: 1.065972944815838
Energy: 1.0102808243907075
Energy: 1.0657429961316565
Energy: 1.0659729448150825
Energy: 1.010280824389952
Energy: 1.2718902543998978
Energy: 0.9900431802185992
Energy: 1.1459176753491687
Energy: 1.2718902543998978
Energy: 0.9900431802193548
Energy: 1.1459176753491687
Energy: 1.2718902544006536
Energy: 0.9900431802185992
Energy: 1.1459176753491687
Energy: 1.2718902543998978
Energy: 1.134312619865137
Energy: 0.9755654188437861
Energy: 1.3031206256585013
Energy: 1.1343126198643814
Energy: 0.9755654188452972
Energy: 1.3031206256585013
Energy: 1.1343126198643814
Energy: 0.9755654188437861
Energy: 1.3031206256585013
Energy: 1.134312619865137
Energy: 1.052140178869086
Energy: 1.1325093071274586
Energy: 1.1246679037183607
Energy: 1.0521401788773634
Energy: 1.132509307125947
Energy: 1.124667903717605
Energy: 1.0521401788954976
Energy: 1.1325093071297254
Energy: 1.1246679037183607
Energy: 1.0521401788849192
Energy: 1.0927308499288024
Energy: 1.0081086248897695
Energy: 1.2592145531214856
Energy: 1.0927308498298536
Energy: 1.0081086248905249
Energy: 1.2592145531237526
Energy: 1.092730849227917
Energy: 1.0081086248897695
Energy: 1.2592145531237526
Energy: 1.0927308494854728
Energy: 1.1152084188460376
Energy: 1.0886422351988108
Energy: 0.9921526854234861
Energy: 1.1152084188467932
Energy: 1.0886422351980554
Energy: 0.9921526854234861
Energy: 1.1152084188467932
Energy: 1.0886422351995664
Energy: 0.9921526854234861
Energy: 1.115208418847549
Energy: 1.1893519080327923
Energy: 1.0341268147142377
Energy: 0.9753961886583131
Energy: 1.1893519080418595
Energy: 1.0341268147127265
Energy: 0.9753961886583131
Energy: 1.1893519079383772
Energy: 1.0341268147149933
Energy: 0.9753961886590687
Energy: 1.1893519078960981
Energy: 1.0504740209628591
Energy: 1.1354303502780052
Energy: 1.0542631895942194
Energy: 1.0504740209628591
Energy: 1.1354303502780052
Energy: 1.0542631896259547
Energy: 1.0504740209628591
Energy: 1.1354303502780052
Energy: 1.0542631896448103
Energy: 1.0504740209628591
Energy: 1.3727502127246258
Energy: 1.140490993055079
Energy: 1.0074578361888882
Energy: 1.3727502127238704
Energy: 1.140490993056556
Energy: 1.0074578361881326
Energy: 1.3727502127238704
Energy: 1.140490993055079
Energy: 1.0074578361881326
Energy: 1.3727502127231148
Energy: 1.0527107738286396
Energy: 1.1358313330066063
Energy: 1.1657558117087643
Energy: 1.0527107738271286
Energy: 1.1358313330066063
Energy: 1.1657558117087643
Energy: 1.0527107738271286
Energy: 1.1358313330058505
Energy: 1.1657558117087643
Energy: 1.052710773827884
Energy: 1.0422338352224234
Energy: 0.9858004147202416
Energy: 1.1803718242478531
Energy: 1.0422338352216678
Energy: 0.9858004147202416
Energy: 1.24754565229365
Energy: 1.0422338352209124
Energy: 0.9858004147202416
Energy: 1.247545652289872
Energy: 1.0422338352201566
Energy: 1.1336350236025758
Energy: 0.9911856110646503
Energy: 1.1858793970749308
Energy: 1.1336350236025758
Energy: 0.9911856110654058
Energy: 1.1858793970734196
Energy: 1.1336350236025758
Energy: 0.9911856110654058
Energy: 1.1858793970741752
Energy: 1.13363502360182
Energy: 1.0078935463139682
Energy: 1.220968231321605
Energy: 1.0084177178004308
Energy: 1.0078935463132124
Energy: 1.2209682313223604
Energy: 1.0084177177996752
Energy: 1.0078935463132124
Energy: 1.220968231321605
Energy: 1.0084177177996752
Energy: 1.0078935463132124
Energy: 1.2477368642393214
Energy: 1.0640199357053264
Energy: 1.235552830641558
Energy: 1.2477368642408326
Energy: 1.0640199357053264
Energy: 1.2355528311188895
Energy: 1.2477368642393214
Energy: 1.0640199357053264
Energy: 1.2355528313379096
Energy: 1.2477368642408326

minimum gb energy = 0.9753961886583131 eV
minimum distance =  2.28221107208938 Angstroms
sigma value = 33