Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762095345
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.90808021872962e-19, 2.7468517301612997e-19, 3.36628526039838e-19, 3.8688079616524797e-19, 4.28971578517062e-19, 4.64897185181244e-19, 4.95928142228556e-19, 5.2293443157126e-19, 5.46548912979786e-19, 5.67249035091066e-19, 5.854032985309199e-19, 6.01308105976638e-19, 6.155931128453819e-19, 6.2873416559745e-19, 6.4002149998398e-19, 6.494871595376519e-19, 6.573602555171279e-19, 6.638618882979e-19, 6.69152275543368e-19, 6.733371609113759e-19, 6.76488642350454e-19, 6.786708069259619e-19, 6.79942935173358e-19, 6.8035629674493e-19, 6.79914095993946e-19, 6.784849544364179e-19, 6.7590224570241e-19, 6.719640955360379e-19, 6.6643338179547e-19, 6.590265192164879e-19, 6.494038463526839e-19, 6.37156808162388e-19, 6.2178872988906e-19, 6.0269879529495e-19, 5.791500031284179e-19, 5.5022751053145e-19, 5.148017829770759e-19, 4.71454894144206e-19, 4.1838759967285797e-19, 3.5329917391660796e-19, 2.73217579219386e-19, 1.74251128537206e-19, 5.1228796783833e-20, -1.0282801680544679e-19, -2.9750817916745996e-19, -5.464095236126279e-19, -8.70488200078344e-19, -1.3048495007921819e-18, -1.9129027703979595e-18, -2.8195905493449e-18, -4.2964769705660996e-18, -7.00445989558656e-18, -1.27711902761091e-17, -2.7399783924014397e-17]
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: 0.018641293597831603
Energy: 0.02360639759626136
Energy: 0.1132012513585006
Energy: 0.11304352770634804
Energy: 0.022690106902249447
Energy: 0.019960540272894834
Energy: 0.11372547868006906
Energy: 0.11462682432221992
Energy: 0.11243315391197883
Energy: 0.022170635035598674
Energy: 0.028675839350510053
Energy: 0.11827017391143715
Energy: 0.11346858147670884
Energy: 0.1122050669987369
Energy: 0.11368643532686391
Energy: 0.11150073664619432
Energy: 0.11807406599379947
Energy: 0.11348920590850158
Energy: 0.11412537039437264
Energy: 0.11284411243809732
Energy: 0.11314794772751433
Energy: 0.024461537313877464
Energy: 0.019004852684344615
Energy: 0.11247382942835492
Energy: 0.11058306750183725
Energy: 0.11568302599392248
Energy: 0.023471876034368372
Energy: 0.019028539332017338
Energy: 0.11123224184016746
Energy: 0.11125167696599497
Energy: 0.11350978020290688
Energy: 0.019750557663886996
Energy: 0.027617967899550615
Energy: 0.11655208705055921
Energy: 0.11148355973047187
Energy: 0.11356758411530482
Energy: 0.02094606089057292
Energy: 0.028868454825286768
Energy: 0.11782820226791116
Energy: 0.11134103823964955
Energy: 0.11231103640757924
Energy: 0.1121087759459689
Energy: 0.1148308005378663
Energy: 0.025320242336060464
Energy: 0.019460251922361022
Energy: 0.11030057160004511
Energy: 0.11287630605660841
Energy: 0.11463401237505062
Energy: 0.024207822655519042
Energy: 0.11691767096632683
Energy: 0.11390084096481226
Energy: 0.10961203652406938
Energy: 0.11309216356321955
Energy: 0.019619089114828205
Energy: 0.02681625776093596
Energy: 0.11564032495066821
Energy: 0.10884284383294732
Energy: 0.11263165036260636
Energy: 0.02016103415421559
Energy: 0.028205750956514394
Energy: 0.027301124032365853
Energy: 0.11572852416866981
Energy: 0.1112425797213397
Energy: 0.114380034206304
Energy: 0.11629272495420705
Energy: 0.026019151886124203
Energy: 0.11655609660615783
Energy: 0.1128341219444321
Energy: 0.11462945440572422
Energy: 0.11476190734085623

minimum gb energy = 0.018641293597831603 eV
minimum distance =  2.49854473263085 Angstroms
sigma value = 3


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

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Energy: 0.2991210435047716
Energy: 0.5603965141882286
Energy: 0.5609974339973423
Energy: 0.05669769765854577
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Energy: 0.5607273306294603
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Energy: 0.35221513354173356
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Energy: 0.7285111185835579
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Energy: 0.7315067121326659
Energy: 0.7313010953055242
Energy: 0.7337785363707671
Energy: 0.7278465603932632
Energy: 0.7152926488344037
Energy: 0.7254586172420715
Energy: 0.7331764306044221
Energy: 0.7186200290449106
Energy: 0.7314781165211326
Energy: 0.6404367319286867
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Energy: 0.7370980902342805
Energy: 0.7258788010323027
Energy: 0.6180650717158724
Energy: 0.623080800774181
Energy: 0.9238810816723395
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Energy: 0.7492070214054475
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Energy: 0.6697317678996615
Energy: 0.8865071577690005
Energy: 0.5477189215965411
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Energy: 0.6255819517036043
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Energy: 0.6256024985059476
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Energy: 0.6799400137714521
Energy: 0.5405794319455596
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Energy: 0.7647228980802029
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Energy: 0.7308437226158269
Energy: 0.6923167291040325
Energy: 0.6208708258883407
Energy: 0.6056501123336498
Energy: 0.8441499514459615
Energy: 0.027142305861361803
Energy: 0.6958824354347503
Energy: 0.48718631177090166
Energy: -0.4772421132955482
Energy: 0.6485721056831018
Energy: 0.6842846840613349
Energy: 0.6416428366105279
Energy: -0.2524812094966755
Energy: -0.26807828272627043
Energy: 0.546444546742359
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Energy: 0.6202810652814386
Energy: 0.3119517293152023
Energy: 0.6095835881807412
Energy: 0.6467849694842541
Energy: -0.6885681853587978
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Energy: 0.8554816545641746
Energy: 0.8255703212666362
Energy: 0.5459400856905228
Energy: 0.8693643218204006
Energy: -0.1467670824740315
Energy: 0.8573810967836559
Energy: 0.5780393470662807
Energy: 0.17327822934066445
Energy: -0.06481551562695761
Energy: 0.2173599012459497
Energy: 0.7183438488849314
Energy: 0.16491864264730874
Energy: 0.3276639272971206
Energy: -0.6886991102606685
Energy: -0.7946071752544458
Energy: -0.06358385083167742
Energy: -0.14319742224339088
Energy: 0.6572081528867453
Energy: -0.19503281699439437
Energy: 0.7446705576401271
Energy: 0.5666839658991527
Energy: 0.6816417700359523
Energy: -0.3650209647510616
Energy: -0.15671523171323548
Energy: -0.1798626507244873
Energy: 0.5599296048953639
Energy: 0.89661737295606
Energy: -0.39908882659109546
Energy: 0.09634727412672103
Energy: 0.15402678696006797
Energy: 0.561756012638932
Energy: 0.5612141917666041
Energy: 0.056885011482255186
Energy: -0.012209512594286206
Energy: 0.546768677799768
Energy: 0.5613779585995236
Energy: 0.5611115508812827
Energy: -0.21111022482905203

minimum gb energy = -0.8472701339428226 eV
minimum distance =  2.3609052031019 Angstroms
sigma value = 75


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

Energy: 2.147952097374852
Energy: 0.9129916159406111
Energy: 0.9084037901565177
Energy: 0.9179523391818416
Energy: 0.8756026928148007
Energy: 0.876626124062366
Energy: 0.892035640834951
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Energy: 0.9993855350989697
Energy: 0.8641368638926096
Energy: 0.910894740105304
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Energy: 0.9412721718624557
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Energy: 1.0145403982196046
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Energy: 0.9326695200900527
Energy: 0.9083488350418899
Energy: 0.7227003877706968
Energy: 1.013309931251403
Energy: 0.9944990301179711
Energy: 0.9216716796095131
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Energy: 0.9080581714983196
Energy: 0.9034187388750158
Energy: 1.0165589646301791
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Energy: 0.9206014384166425
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Energy: 0.8843313370239647
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Energy: 1.0063853896982164
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Energy: 0.9090558997618624
Energy: 0.9249146536711732
Energy: 0.9878255121308912
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minimum gb energy = 0.4010360156384216 eV
minimum distance =  2.22639213245165 Angstroms
sigma value = 105


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

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Energy: 0.9117764073352987
Energy: 0.91973399714859
Energy: 0.8726231185170735
Energy: 0.912038255373959
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Energy: 0.9159941802464591
Energy: 0.9199963315582951
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Energy: 0.9225566426092741
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Energy: 0.9135882817270975
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Energy: 0.9250515659776505
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Energy: 0.8910399796859584
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Energy: 0.9232162480732292
Energy: 0.9256564054380215
Energy: 0.8051473427341038
Energy: 0.9389060545815129
Energy: 0.8327321537282463
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Energy: 0.907989736882028
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Energy: 0.8643784334503729
Energy: 0.7630164870185667
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Energy: 0.9367758212135723
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Energy: 0.8718634730426469
Energy: 0.7791692568017585
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Energy: 0.9246429691216096
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Energy: 0.8558620258328951
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Energy: 0.9661182322774275
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Energy: 0.9050020579745135
Energy: 0.8954997305921908
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Energy: 0.8947571701268052
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Energy: 0.801155451229783
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Energy: 0.8876751435376194
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Energy: 0.9043279510108316
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Energy: 0.8072599092713996
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Energy: 0.9091029677847686
Energy: 0.8469501890285662
Energy: 0.8090385802533784
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Energy: 0.8735731972915687
Energy: 0.8557540685863397
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Energy: 0.870229406463065
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Energy: 0.8589684552524821
Energy: 0.8591197811861162
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Energy: 0.9909070184249984
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Energy: 0.8587665979806522
Energy: 0.9046391618717197
Energy: 0.9347805515715039
Energy: 0.8372087170118542
Energy: 0.7422770136154309
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Energy: 0.8681616558720995
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Energy: 0.891291074974111
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Energy: 0.7492382665562225
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Energy: 0.8824101934441012
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Energy: 0.790016576790209
Energy: 0.7140240052651534
Energy: 0.9021504166629387
Energy: 0.856824437329719
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Energy: 0.748460001977374
Energy: 0.7155757688480799
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Energy: 0.9153386701082272
Energy: 0.919228246812425
Energy: 0.8942759688218747
Energy: 0.8812419322701814
Energy: 1.0241483095219392
Energy: 0.9232823804598126
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Energy: 0.8882295384906477
Energy: 0.900921182714228
Energy: 0.8861670554031541
Energy: 0.8951163220751183
Energy: 0.9644923743671248
Energy: 0.9096259366771112
Energy: 0.901051900667666
Energy: 0.8911186107544996
Energy: 0.8953654642792547
Energy: 0.8884536691168047
Energy: 0.9250088103289091
Energy: 0.8902800436244188
Energy: 0.9198134599672821
Energy: 0.8938957021707574
Energy: 0.9294772627158345
Energy: 0.7557347291421772
Energy: 0.8584605352900209
Energy: 0.9161261346169962
Energy: 0.9087571610188532
Energy: 0.91699370972834
Energy: 0.7936920154133733
Energy: 0.8576852576679348
Energy: 0.9154210213931949
Energy: 0.8818600994052123
Energy: 0.9242771876569205
Energy: 0.8970738228650773
Energy: 0.7794389048434135
Energy: 0.9184972228235415
Energy: 0.8815363931999238
Energy: 0.9066557572376291
Energy: 0.9034754836834402
Energy: 0.924440902184777
Energy: 0.9105095504480879
Energy: 0.915267316642708
Energy: 0.8923559638315287
Energy: 0.9167545742136983
Energy: 0.935087435361684
Energy: 0.9412519075438336
Energy: 0.9182401111958091
Energy: 0.9159248698020074
Energy: 0.9059605898085163
Energy: 0.9589401677537319
Energy: 0.9629310353312086
Energy: 0.9709894485059432
Energy: 0.9263788465179035
Energy: 0.8521045539157154
Energy: 0.9546037279825735
Energy: 0.9190281873360822
Energy: 0.9586973295346439
Energy: 0.896874171796211
Energy: 0.9657863030703
Energy: 0.9737362687666994
Energy: 0.9491864526676596
Energy: 0.9556627834828517
Energy: 0.942676695750427
Energy: 0.899025603864785
Energy: 0.7953206054590958
Energy: 0.9397429730606839
Energy: 0.9435888503892746
Energy: 0.8562425438804233
Energy: 0.9036780759983943
Energy: 0.9230482555241443
Energy: 0.9807921349366424
Energy: 0.8582642936397876
Energy: 0.7174465935244417
Energy: 0.8979923117093666
Energy: 0.9124961243826701
Energy: 0.9532449592912844
Energy: 0.8716733304276538
Energy: 0.7081831752087543
Energy: 0.919636919961152
Energy: 0.9108397414179644
Energy: 0.8664873731674124
Energy: 0.8554237072099664
Energy: 0.8567266945379514
Energy: 0.9171442960427916
Energy: 0.8827709973109746
Energy: 0.8654835452972683
Energy: 0.85915606828115
Energy: 0.8688297238566091
Energy: 0.9173758295439087
Energy: 0.9082943676886867
Energy: 0.9388274739483589
Energy: 0.8679027680694237
Energy: 0.8545252634594459
Energy: 0.9510150672308585
Energy: 0.8358702352309529
Energy: 0.8883129531660869
Energy: 0.8048700052846107
Energy: 0.8586780349796713
Energy: 0.9424709830504617
Energy: 0.9031495512149088
Energy: 0.9256048504284031
Energy: 0.9262620536696127
Energy: 0.8279217328825896
Energy: 0.888392232862561
Energy: 0.8361158998711329
Energy: 0.925107360461536
Energy: 0.9012304262621705
Energy: 0.9127219614197191
Energy: 0.9156942584695974
Energy: 0.8844204867102347
Energy: 0.9440094191527633
Energy: 0.8985400244872689
Energy: 0.9005519880326627
Energy: 1.0103429840919307
Energy: 0.8227727562804201
Energy: 0.8996374868770547
Energy: 0.8901229133935361
Energy: 0.8956414973727299
Energy: 0.888286444542343
Energy: 0.8451847366522754
Energy: 0.8038595631569413
Energy: 0.8494564102847281
Energy: 0.8264126180294307
Energy: 0.794263817298427
Energy: 0.8287878933076636
Energy: 0.7977484365400744
Energy: 0.8871650590468503
Energy: 0.9083394545250383
Energy: 0.789154013196571
Energy: 0.9149880006321267
Energy: 0.9364471912825151
Energy: 0.8236082235799644
Energy: 0.8720658747114061
Energy: 0.9233239397161541
Energy: 0.8939047070506426
Energy: 0.9341760254828924
Energy: 0.9075004833120034
Energy: 0.8723106320257116
Energy: 0.8750413900835171
Energy: 0.898175208354482
Energy: 0.98110754316993
Energy: 0.722651635882135
Energy: 0.7142951658947939
Energy: 0.8251375253546104
Energy: 0.9011364811497855
Energy: 0.915503523267111
Energy: 0.7162734699365757
Energy: 0.809022117654101
Energy: 0.8964170918636599
Energy: 0.9036672043941082
Energy: 0.7065302808445737
Energy: 0.7160874423707065
Energy: 0.7142062021642798
Energy: 0.7046194007787658
Energy: 0.9898960564005956
Energy: 0.7059062107188608
Energy: 0.8368198418685376
Energy: 0.7141555897571015
Energy: 0.8384096284432808

minimum gb energy = 0.7046194007787658 eV
minimum distance =  2.21865735485758 Angstroms
sigma value = 165


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

Energy: 1.4714743323553665
Energy: 0.8602153378604489
Energy: 0.3046596087133907
Energy: 0.7590325574345652
Energy: 0.821755653524321
Energy: 0.8913805473924771
Energy: 0.753236715746742
Energy: 0.8876504120879612
Energy: 0.7489248890362628
Energy: 0.8597695458245754
Energy: 0.8746172015789213
Energy: 0.9340929893678116
Energy: 0.8798557258077058
Energy: 0.7602434307636301
Energy: 0.7382968712713059
Energy: 0.8527933231060807
Energy: 0.11363812408520761
Energy: 0.3412614840132976
Energy: 0.34565643480479435
Energy: 0.3424317286302924
Energy: 0.9218116210454597
Energy: 0.9212724406828946
Energy: 0.9035585110184001
Energy: 0.9095715690560842
Energy: 0.874058758278954
Energy: 0.9134567277985963
Energy: 0.38333354100197925
Energy: 0.9006549551904836
Energy: 0.9206912013221423
Energy: 0.8749218631893458
Energy: 0.8747197155523452
Energy: 0.8770692049680704
Energy: 0.9397750632504623
Energy: 0.844088835201788
Energy: 0.9164852158739977
Energy: 0.9551631253414573
Energy: 0.7568689321112767
Energy: 0.38350830945361397
Energy: 0.8822616483128618
Energy: 0.8737838607652483
Energy: 0.9131706582918203
Energy: 0.8645429438644562
Energy: 0.9386452735074314
Energy: 0.9400397123394365
Energy: 0.11205930196095285
Energy: 0.8993227499822435
Energy: 0.8664916701287185
Energy: 0.8813938595064473
Energy: 0.9354746721670285
Energy: 0.9143989537801781
Energy: 0.8651403890416793
Energy: 0.8803343998305894
Energy: 0.9133855364219011
Energy: 0.8546415219224232
Energy: 0.1118925251383157
Energy: 0.862726948302005
Energy: 0.88011154886843
Energy: 0.11208153836891832
Energy: 0.8593765257210662
Energy: 0.918993554973825
Energy: 0.9097065025812737
Energy: 0.8761837701761873
Energy: 0.9129518872376445
Energy: 0.9101789278237336
Energy: 0.9291471744386498
Energy: 0.9346216185467041
Energy: 0.9057719522754338
Energy: 0.8966924234733635
Energy: 0.9200766377281556
Energy: 0.8958519719238094
Energy: 0.8329606242646375
Energy: 0.9057194351303776
Energy: 0.9550485311633083
Energy: 0.9562705391447537
Energy: 0.8996651091569967
Energy: 0.8221241603414609
Energy: 0.9276389293163834
Energy: 0.9527849727042077
Energy: 0.9548474627724675
Energy: 0.8213066207595504
Energy: 0.822462629429375
Energy: 0.8969963230739963
Energy: 0.911976058098072
Energy: 0.9122461958219926
Energy: 0.9092762585790537
Energy: 0.8439933961979458
Energy: 0.9013435353150956
Energy: 0.9158307065154253
Energy: 0.9156671814476186
Energy: 0.8355522893103543
Energy: 0.9567249772047097
Energy: 0.8990400913090686
Energy: 0.9157851729682229
Energy: 0.8957510069100025
Energy: 0.910489622251363
Energy: 0.9680553999730351
Energy: 0.9213814934270842
Energy: 0.11194262669750651
Energy: 0.9091639700530978
Energy: 0.8792255267059773
Energy: 0.858982738997798
Energy: 0.9077172309480684
Energy: 0.8930265169086986
Energy: 0.9208056110634895
Energy: 0.8731486782292976
Energy: 0.8826607248853494
Energy: 0.38371281848867
Energy: 0.9205449964042876
Energy: 0.9269071478490016
Energy: 0.873548733997092
Energy: 0.9099332709589684
Energy: 0.9125926257014396
Energy: 0.9244568118403105
Energy: 0.9346539740379984
Energy: 0.9083367727212932
Energy: 0.896030691968019
Energy: 0.8611091984919155
Energy: 0.9203458907785019
Energy: 0.9169225784122731
Energy: 0.9332302055613824
Energy: 0.8607015981677483
Energy: 0.9630839376208132
Energy: 0.927700235213128
Energy: 0.11190451555781902
Energy: 0.7516716601010266
Energy: 0.8807593094667547
Energy: 0.8734932277588507
Energy: 0.8530358956496591
Energy: 0.9348984743102828
Energy: 0.888705920990106
Energy: 0.9344998546835096
Energy: 0.8928063624919547
Energy: 0.9250769757440527
Energy: 0.8610577819292535
Energy: 0.11342726921498268
Energy: 0.8524960906971768
Energy: 0.8807270797954277
Energy: 0.8881438529421857
Energy: 0.8607244287307436
Energy: 0.8522951495344371
Energy: 0.8602436958851717
Energy: 0.9705879683710814
Energy: 0.3367487530622812
Energy: 0.7563635694636849
Energy: 0.11395533669977585
Energy: 0.8268923744895855
Energy: 0.915267704502891
Energy: 0.7509565994662878
Energy: 0.8803437517422141
Energy: 0.9361426747587908

minimum gb energy = 0.1118925251383157 eV
minimum distance =  2.22861377486937 Angstroms
sigma value = 41


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

Energy: 0.9399870902071649
Energy: 0.6972046226675244
Energy: 0.6405493123666356
Energy: 0.6726190294207444
Energy: 0.6782395502022097
Energy: 0.732636509781144
Energy: 0.6712659298538214
Energy: 0.683788469114293
Energy: 0.697318045093849
Energy: 0.743464387241251
Energy: 0.7595241348147056
Energy: 0.7257409086606054
Energy: 0.6987363028552329
Energy: 0.6761141361537338
Energy: 0.7155315351170056
Energy: 0.7216969540424707
Energy: 0.698446910387257
Energy: 0.6549926991506452
Energy: 0.6791806966707465
Energy: 0.7253646521619614
Energy: 0.746575436507072
Energy: 0.7688449953708559
Energy: 0.756028822765715
Energy: 0.7378517041560269
Energy: 0.7507371920171928
Energy: 0.7082269231201133
Energy: 0.7055476587619952
Energy: 0.7014977214977585
Energy: 0.7381230097377061
Energy: 0.7534582553715025
Energy: 0.7395823370142212
Energy: 0.7255049325422909
Energy: 0.7718157088311304
Energy: 0.7189008981205031
Energy: 0.9066392444793648
Energy: 0.727592596766581
Energy: 0.6543006735440441
Energy: 0.7348818789437205
Energy: 0.7401771328846072
Energy: 0.8637273147402811
Energy: 0.7816743812881519
Energy: 0.7324041460088876
Energy: 0.7867768443099954
Energy: 0.7555376798177472
Energy: 0.7354492817102746
Energy: 0.7731042874118709
Energy: 0.7364184847006325
Energy: 0.7828741938197604
Energy: 0.7763692614088921
Energy: 0.7794461154107775
Energy: 0.7636999728930518
Energy: 0.7262619386371115
Energy: 0.7515526440383814
Energy: 0.7463251736478844
Energy: 0.7511523818929152
Energy: 0.7605094608756411
Energy: 0.7189887342840217
Energy: 0.7480830370031134
Energy: 0.746655390088268
Energy: 0.7761524056117755
Energy: 0.785287978097095
Energy: 0.7483167355796366
Energy: 0.7689238739768464
Energy: 0.721392711938992
Energy: 0.7554719698725414
Energy: 0.7879096287054892
Energy: 0.7378005727486385
Energy: 0.7699082163948069
Energy: 0.9154792655589441
Energy: 0.7700309588724404
Energy: 0.7578503137185079
Energy: 0.7522020239195694
Energy: 0.7352124225361144
Energy: 0.717922565262202
Energy: 0.7275640389587333
Energy: 0.8330826986000052
Energy: 0.748055220635929
Energy: 0.7465312103027121
Energy: 0.7111708372154211
Energy: 0.7387201364292771
Energy: 0.7149486600292381
Energy: 0.7298696497603459
Energy: 0.6948428561190962
Energy: 0.6954697855132023
Energy: 0.7464188761139982
Energy: 0.726629009211493
Energy: 0.7187496117857471
Energy: 0.6958054145316894
Energy: 0.7101362332267224
Energy: 0.7462930657037702
Energy: 0.7647359866359913
Energy: 0.707408556285607
Energy: 0.7038294545790995
Energy: 0.7160428791324647
Energy: 0.7684815234005921
Energy: 0.7591280461695651
Energy: 0.702358774584591
Energy: 0.7048282573477318
Energy: 0.7197803914830835
Energy: 0.7627703514440439
Energy: 0.7319968497659726
Energy: 0.7056627114774264
Energy: 0.6941041855755682
Energy: 0.6443520987886975
Energy: 0.7427894703339593
Energy: 0.7317645672609324
Energy: 0.7072608267802389
Energy: 0.6976315770198813
Energy: 0.6993572726167435
Energy: 0.7976572307974664
Energy: 0.7218913960003547
Energy: 0.6547010639509292
Energy: 0.7007743128663235
Energy: 0.7191606987669071
Energy: 0.758188992905613
Energy: 0.718240387388952
Energy: 0.7035533030677488
Energy: 0.7062206574877027
Energy: 0.7268777175595165
Energy: 0.7461651612035818
Energy: 0.7326103338811857
Energy: 0.6921393563143244
Energy: 0.7184481389943127
Energy: 0.7369778444700916
Energy: 0.7656727441805
Energy: 0.7565060685996641
Energy: 0.6949052071726557
Energy: 0.7202618971610746
Energy: 0.7378641265191639
Energy: 0.746136179615335
Energy: 0.711462823345517
Energy: 0.7089609700766719
Energy: 0.7133065370658566
Energy: 0.7322523469173446
Energy: 0.7229287456844568
Energy: 0.6982788617891229
Energy: 0.7094755592258855
Energy: 0.740572024464829
Energy: 0.7792545925695387
Energy: 0.7182872779268646
Energy: 0.7322956752444779
Energy: 0.7326060109457275
Energy: 0.7421149197708318
Energy: 0.7826117376833066
Energy: 0.7586629247726957
Energy: 0.7155677483515536
Energy: 0.7337585002444861
Energy: 0.7587592478854746
Energy: 0.7784860639810223
Energy: 0.7609409812419801
Energy: 0.8122882426443426
Energy: 0.7645377249680881
Energy: 0.7473884633444531
Energy: 0.7904753772648321
Energy: 0.7663563651432348
Energy: 0.7522353813944627
Energy: 0.7452609397795069
Energy: 0.7461693714277777
Energy: 0.7747938988422525
Energy: 0.7632972945078987
Energy: 0.7760738709923786
Energy: 0.7443248688196278
Energy: 0.7442462486585568
Energy: 0.7426277620346776
Energy: 0.7412898870130042
Energy: 0.7641026285700644
Energy: 0.7446862677386494
Energy: 0.7449747554679962
Energy: 0.7503783547015248
Energy: 0.7414698314764502
Energy: 0.7796645725285027
Energy: 0.7764295460684328
Energy: 0.8633147144705968
Energy: 0.7668940145313259
Energy: 0.7278435523487704
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Energy: 0.7704195975880305
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Energy: 0.7433188569163011
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Energy: 0.7644110231590345
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Energy: 0.7819489001511346
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Energy: 0.7420440474219214
Energy: 0.7423539945230034
Energy: 0.7191525965177633
Energy: 0.7482196713739633
Energy: 0.7788940778922139
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Energy: 0.7338012897497086
Energy: 0.6923227610036504
Energy: 0.7439220556005899
Energy: 0.7834707473707757
Energy: 0.7728459223160277
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Energy: 0.6968466231559985
Energy: 0.7511915036118577
Energy: 0.5646954357462245
Energy: 0.7331483773605225
Energy: 0.732152475368348
Energy: 0.7214929890678016
Energy: 0.6977328913326933
Energy: 0.8598172340864207
Energy: 0.6792810423839496
Energy: 0.7315048946208663
Energy: 0.7075557813568927
Energy: 0.7259454434618672
Energy: 0.7423195539865249
Energy: 0.6920535909218466
Energy: 0.669285081048496
Energy: 0.6395018798403521
Energy: 0.7180337126677254
Energy: 0.7418881969729954
Energy: 0.6718264543309045
Energy: 0.7073506092024329
Energy: 0.6986528464184403
Energy: 0.7634893089600834
Energy: 0.7692260714651014
Energy: 0.7124518765408403
Energy: 0.6398526164130506
Energy: 0.6668057373537294
Energy: 0.727007958342671
Energy: 0.7372042111058719
Energy: 0.7098833526210622
Energy: 0.6660315876732423
Energy: 0.7212658801665235
Energy: 0.7475182364577092
Energy: 0.6707766662919129
Energy: 0.6969412493641299
Energy: 0.6596398253756459
Energy: 0.6973468752811018
Energy: 0.7362721813920181
Energy: 0.6709881693211425
Energy: 0.6989164029837793
Energy: 0.6998514607918717
Energy: 0.6975401113336506

minimum gb energy = 0.5646954357462245 eV
minimum distance =  2.33190584764037 Angstroms
sigma value = 185


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

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Energy: 0.5832914176335473
Energy: 0.6368910768535431
Energy: 0.5248259878526789
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Energy: 0.4026943414487805
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Energy: 0.4597163240672053
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Energy: 0.6574199942041449
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Energy: 0.7685992018943029
Energy: 0.4624853567029162
Energy: 0.4744815733355768
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Energy: 0.48601848532504527
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Energy: 0.5365735040044379
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Energy: 0.5768015888079994
Energy: 0.5931017459376047
Energy: 0.6749264311239515
Energy: 0.5696166026605137
Energy: 0.5058828001087791
Energy: 0.5149366342588652
Energy: 0.6368673967172771
Energy: 0.5277557995578814
Energy: 0.4096982257407958
Energy: 0.40646467919227314
Energy: 0.5365874443356744
Energy: 0.7972645464394176
Energy: 0.6077470145482636
Energy: 0.5073108783037147
Energy: 0.5122868795043362
Energy: 0.7389143487070868
Energy: 0.5712269492924005
Energy: 0.5372024078076156
Energy: 0.5709907260032007
Energy: 0.44380073010886845
Energy: 0.5465454534802046
Energy: 0.5153207680759145
Energy: 0.5346941322342882
Energy: 0.555102453811482
Energy: 0.44626767792602423
Energy: 0.6219876992843141
Energy: 0.7842234563962548
Energy: 0.5724383447502615
Energy: 0.6747984701936477
Energy: 0.4973150398124444
Energy: 0.5661372895031801
Energy: 0.5085564393107453
Energy: 0.6355641208356226
Energy: 0.40284049528330984
Energy: 0.5255203393651461
Energy: 0.5724311612255225
Energy: 0.7493133872705823
Energy: 0.5458675316279846

minimum gb energy = 0.31097764185562343 eV
minimum distance =  2.27736019719871 Angstroms
sigma value = 33


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

Energy: 0.6650386776460754
Energy: 0.6146066993635493
Energy: 0.6346639605136143
Energy: 0.6056269236087009
Energy: 0.6304665738863351
Energy: 0.6250082394396475
Energy: 0.5912341259075166
Energy: 0.6305393668553922
Energy: 0.6351983791539196
Energy: 0.6467588269185487
Energy: 0.7565320558814564
Energy: 0.5887568393873698
Energy: 0.6571706311575094
Energy: 0.677531163263281
Energy: 0.6288825797363594
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Energy: 0.6074642109067302
Energy: 0.6289543569338358
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Energy: 0.6905205111110819
Energy: 0.6315572087675563
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Energy: 0.6396610991206506
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Energy: 0.6366173419407163
Energy: 0.6468714448547888
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Energy: 0.6599168147165806
Energy: 0.6269088979230555
Energy: 0.6184111889122418
Energy: 0.687401158802776
Energy: 0.6746809659240235
Energy: 0.6560296506269927
Energy: 0.6260898573646401
Energy: 0.6528791485383555
Energy: 0.6669739964395539
Energy: 0.6768221520214647
Energy: 0.6488556863375559
Energy: 0.6190966189507942
Energy: 0.6666778095055066
Energy: 0.665920934064246
Energy: 0.6809282665642059
Energy: 0.6241285595387803
Energy: 0.7263480138372388
Energy: 0.6163625667295162
Energy: 0.66761701517518
Energy: 0.7080954471600245
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Energy: 0.6085643554852928
Energy: 0.632135741940168
Energy: 0.8509235409126084
Energy: 0.6110860540879723
Energy: 0.6233547744883864
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Energy: 0.644495541233394
Energy: 0.6560827201841481
Energy: 0.6501391055453134
Energy: 0.6117202169051514
Energy: 0.6184725297153761
Energy: 0.642848181139896
Energy: 0.6564099537928128
Energy: 0.6615701592826667
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Energy: 0.6276220116569244
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Energy: 0.646604734027019
Energy: 0.5966178926798242
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Energy: 0.6146113231043756
Energy: 0.6026272643735268
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Energy: 0.6431273887637534
Energy: 0.7132902255004042
Energy: 0.6441847335550679
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Energy: 0.622180349901848
Energy: 0.5916238608092207
Energy: 0.6183508394030351
Energy: 0.6213971172966463
Energy: 0.6468412168751414

minimum gb energy = 0.5755031504425382 eV
minimum distance =  2.27465134332024 Angstroms
sigma value = 219


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

Energy: 0.9578255648107713
Energy: 0.8680991519579837
Energy: 0.8825724082620564
Energy: 0.8816042464403064
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Energy: 0.8621024429135087
Energy: 0.8792559787769672
Energy: 0.969507830129358
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Energy: 0.8984596186032663
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Energy: 0.8804761793401114
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Energy: 0.9061130573657381
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Energy: 0.8666981618028005
Energy: 0.9717169413241864
Energy: 0.8417896260995429
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Energy: 0.8487478345007624
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Energy: 0.8718877873099222
Energy: 0.8711934984603704
Energy: 0.8686370759599227
Energy: 0.8483429497732057
Energy: 0.8799932433702122
Energy: 0.887587780436218
Energy: 0.8711712722465079
Energy: 0.8404454437311661
Energy: 0.9124843935506175
Energy: 0.8697626708463579
Energy: 0.8503516637661622
Energy: 0.8731743448602756
Energy: 0.8422498210413515
Energy: 0.9146450112400826
Energy: 0.8867746447336016
Energy: 0.8490264191512801
Energy: 0.8725312638542401
Energy: 0.7778485387211208
Energy: 0.8783143088365601
Energy: 0.8797666143205707
Energy: 0.8793205084317954
Energy: 0.8987006653232971
Energy: 0.7797092816372428
Energy: 0.8817837719164219
Energy: 0.8798247908402884
Energy: 0.8483568958484838
Energy: 0.899072863771731

minimum gb energy = 0.7778485387211208 eV
minimum distance =  2.31057408751444 Angstroms
sigma value = 15


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

Energy: 1.076016331165097
Energy: 1.071989879807731
Energy: 1.097217327274751
Energy: 1.0855329939240805
Energy: 0.9749005950340803
Energy: 1.0759370393369343
Energy: 1.0409140483864996
Energy: 1.1095759842326152
Energy: 1.0535111888585873
Energy: 1.045847043652308
Energy: 1.1007016978085526
Energy: 1.035432391884525
Energy: 1.1019537566090998
Energy: 1.0810831077018686
Energy: 1.0113720318358193
Energy: 1.1023645256847092
Energy: 1.0300244214884686
Energy: 1.129850110991519
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minimum gb energy = 0.9278240709119807 eV
minimum distance =  2.28382004724128 Angstroms
sigma value = 293


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

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Energy: 0.9994198242325288
Energy: 0.9861409109510793
Energy: 1.1922881540538626
Energy: 1.0055742147239093
Energy: 1.0329137113575684
Energy: 1.0008397372940543
Energy: 0.8967140693093592
Energy: 0.897972353819346
Energy: 1.0049656472661785
Energy: 1.0320814568337273
Energy: 0.9994134574558982
Energy: 1.0133919274237266
Energy: 1.0370940067155932
Energy: 1.0270145340060721
Energy: 1.0156796339501428
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Energy: 1.0138886183932718
Energy: 0.9977724140046397
Energy: 1.0261587068930995
Energy: 1.0142884635454832
Energy: 1.119171065946981
Energy: 0.8777959533306072
Energy: 1.0060393883276064
Energy: 1.0080616588879563
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Energy: 0.8949930023971923
Energy: 1.005056370889097
Energy: 1.0057129055144236
Energy: 0.9856078772926288
Energy: 1.000104519964939
Energy: 1.094795151653775
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Energy: 0.9819425155315958
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Energy: 1.0603374337642644
Energy: 1.0854957343610088
Energy: 0.9623740071160144
Energy: 1.1881655232261452
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Energy: 1.062558559140802
Energy: 1.157630309123295
Energy: 0.9979432442116044
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Energy: 0.9945689351464196
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Energy: 1.1405638035614551
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Energy: 0.9954793390680154
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Energy: 1.1397128105533358
Energy: 0.9960531163104126
Energy: 0.9969684804177212
Energy: 0.9982301500541225
Energy: 0.9900758662954318
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Energy: 0.9851005611571725
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Energy: 0.9984913662095969
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Energy: 0.9851349386692951
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Energy: 0.9976349561252026
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Energy: 1.08601127216516
Energy: 1.005612661270151
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Energy: 1.031680854938897
Energy: 1.0872276434421664
Energy: 1.0059118803865468
Energy: 1.031835522872348
Energy: 1.0787405260090974
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Energy: 0.8976358423844153
Energy: 0.9864361656541806
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Energy: 1.0054806692500848
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Energy: 1.0895501079159688
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Energy: 1.095955839494913
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Energy: 0.9842913389826152
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Energy: 1.0930461950671546
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Energy: 0.9978890882070961
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Energy: 0.9958765399221515
Energy: 1.1646131093198446
Energy: 1.0160198849246016
Energy: 1.0837387176504372
Energy: 0.996863484835098
Energy: 1.0315115810885314
Energy: 1.1642985341343675
Energy: 1.0138517022448963
Energy: 1.0835936377078925
Energy: 0.9954362946934546
Energy: 1.0939128062598187
Energy: 1.0830913190408755
Energy: 1.0848887595267698
Energy: 1.2149465666346504
Energy: 1.0881118597165684
Energy: 1.0824021161603545
Energy: 1.0649848052452484
Energy: 1.0846975099825307
Energy: 1.2150882004687078
Energy: 1.0949424720817285
Energy: 1.1530024862800108
Energy: 0.9846007347566404
Energy: 1.0668651638941076
Energy: 1.0844431576534677
Energy: 1.0863066183332986
Energy: 1.112690142818279
Energy: 0.9957635210300055
Energy: 1.0678524350747163
Energy: 1.0845466770635996
Energy: 1.086596808205809
Energy: 0.9862973360254244
Energy: 1.1400430159646935
Energy: 0.9950912978467465
Energy: 1.0067418953787373
Energy: 0.9952241167684218
Energy: 0.9858583843282919
Energy: 1.1404320634456917
Energy: 0.9945650531317978
Energy: 1.0334172567879287
Energy: 1.0038391438178071
Energy: 0.9848646629751413
Energy: 1.1881528022516705
Energy: 0.9870808282459892
Energy: 0.9986465815804608
Energy: 0.998541372029631
Energy: 0.9858338870961423
Energy: 1.031668901874828
Energy: 0.9863434603351222
Energy: 0.9983015805965932
Energy: 0.9973267967065413
Energy: 1.0049935152089347
Energy: 1.2156208649415083
Energy: 1.0062984818998242
Energy: 0.9948802255297022
Energy: 1.0054739058527566
Energy: 0.9029641644194121
Energy: 1.1938206238670719
Energy: 1.0163903013017022
Energy: 0.9919006607795284
Energy: 1.008560055872375
Energy: 1.0129756803334737
Energy: 1.1693388977877341
Energy: 1.1779145060095133
Energy: 1.0081764429867923
Energy: 1.006105861015171
Energy: 1.0134195134791066
Energy: 1.171623671599629
Energy: 1.1776897615935011
Energy: 1.0871438851132416
Energy: 1.0053749308641189
Energy: 1.0855239916438664
Energy: 0.9881015213912968
Energy: 1.0069829508225512
Energy: 1.132980117599128
Energy: 0.9971612667859312
Energy: 1.0993052008347182
Energy: 0.9883227894056927
Energy: 1.0103981220000524
Energy: 1.1331663678559474
Energy: 1.09284329914915

minimum gb energy = 0.8777959533306072 eV
minimum distance =  2.2843984534726 Angstroms
sigma value = 293


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

Energy: 1.1668143384792231
Energy: 1.0726218086051378
Energy: 1.155043544501049
Energy: 1.0765042113746541
Energy: 1.0732603271884424
Energy: 1.167273514474515
Energy: 1.0752070162211635
Energy: 1.1549474641937565
Energy: 1.0754933027959415
Energy: 1.0742993511071006
Energy: 1.0738193159717602
Energy: 1.0769764217164015
Energy: 1.0760172663585914
Energy: 1.0756344514458234
Energy: 1.074563205869864
Energy: 1.1567759280494325
Energy: 1.0772609294805686
Energy: 1.0759110022208094
Energy: 1.0759803754057389
Energy: 1.0748823946786923
Energy: 1.0750443623678063
Energy: 1.0766222801969603
Energy: 1.124216371805751
Energy: 1.0784136321379163
Energy: 1.1567765096580556
Energy: 1.0746977359889711
Energy: 1.0762203078881583
Energy: 1.0776304097001423
Energy: 1.1559541819561083
Energy: 1.1566429811359593
Energy: 1.1563922642918052
Energy: 1.169723747440073
Energy: 1.0743054341005067
Energy: 1.0742002893387061
Energy: 1.1569521617938323
Energy: 1.1556660156428515
Energy: 1.168459028620747
Energy: 1.073424273396639
Energy: 1.0745604237516373
Energy: 1.1246801752365154
Energy: 1.0752359025189322
Energy: 1.0752996925282325
Energy: 1.1682472595822977
Energy: 1.1249800952651061
Energy: 1.0764984117416978
Energy: 1.0746613430217322
Energy: 1.0758076797947806
Energy: 1.1696111462977126
Energy: 1.0765937625188082
Energy: 1.0760067738500536
Energy: 1.0761102684490476
Energy: 1.155646281418625
Energy: 1.0750872358025827
Energy: 1.0756784453570083
Energy: 1.0742395403015546
Energy: 1.076551353888331
Energy: 1.1552164702011696
Energy: 1.075775566353205
Energy: 1.1245908883198856
Energy: 1.0734687374045813
Energy: 1.154643431534472
Energy: 1.1265689607645546
Energy: 1.0745295579351426
Energy: 1.075661936024235
Energy: 1.0766647715615363
Energy: 1.154739401799267
Energy: 1.1276644407078262
Energy: 1.07425083880405
Energy: 1.0756661657560855
Energy: 1.0762845422262066
Energy: 1.0748771944445763
Energy: 1.1549109752013496
Energy: 1.0778551572502346
Energy: 1.1677608179265724
Energy: 1.0743531259708259
Energy: 1.0753996405498203
Energy: 1.2115822652311699
Energy: 1.0752650400805046
Energy: 1.1675067909336379
Energy: 1.0736879474047785
Energy: 1.0771407188693285
Energy: 1.073911560907908
Energy: 1.0742646591123852
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Energy: 1.1554969271026496
Energy: 1.0764472299549102
Energy: 1.0755084541167323
Energy: 1.0741592392138464
Energy: 1.0747903975879392
Energy: 1.1552955525096167
Energy: 1.1245074394784245
Energy: 1.0761504605303556
Energy: 1.1560574071917915
Energy: 1.0755416149044512
Energy: 1.0753927090820001
Energy: 1.1241443089898424
Energy: 1.1236650478053616
Energy: 1.212937690862319
Energy: 1.0757402365394246
Energy: 1.0768902704044752
Energy: 1.0742423081322463
Energy: 1.0740812615132107
Energy: 1.0726509377545568
Energy: 1.073503305676808
Energy: 1.0740677541887387
Energy: 1.0747796549568231
Energy: 1.0741665145998407
Energy: 1.1280765398829515
Energy: 1.0734753205683616
Energy: 1.0738601130377718
Energy: 1.1670470039176586
Energy: 1.075995099600435
Energy: 1.1548700634835452
Energy: 1.0766660186370935
Energy: 1.0729466712401643
Energy: 1.1677211378408507
Energy: 1.0752977108012536
Energy: 1.1555551150623562
Energy: 1.0757234978627281
Energy: 1.0739405274569696
Energy: 1.1553945116828441
Energy: 1.0758708978982776
Energy: 1.0760718471328383
Energy: 1.0756274273925637
Energy: 1.0744230246726956
Energy: 1.1559680993798387
Energy: 1.0766988291005433
Energy: 1.0735018797962947
Energy: 1.0759701148020167
Energy: 1.074507019690742
Energy: 1.075025233980284
Energy: 1.0769708744355537
Energy: 1.1239231268058876
Energy: 1.1557119925318027
Energy: 1.1547445811531507
Energy: 1.074701744147606
Energy: 1.076470047740767
Energy: 1.1247254344311974
Energy: 1.155406482205218
Energy: 1.156811837517151
Energy: 1.156461622667808
Energy: 1.1284266591902696
Energy: 1.0744548743127467
Energy: 1.0742340636947105
Energy: 1.1566654282210653
Energy: 1.1558793472690494
Energy: 1.1686292318783933
Energy: 1.0735965441867357
Energy: 1.074565277899163
Energy: 1.1569417570125944
Energy: 1.075244242072743
Energy: 1.0754510765113916
Energy: 1.1681004023046737
Energy: 1.1248299306579685
Energy: 1.076919971095898
Energy: 1.0748047909199783
Energy: 1.0754463335912716
Energy: 1.1690835566530657
Energy: 1.0765497361055851
Energy: 1.0761401332767022
Energy: 1.0760102592940024
Energy: 1.1557928496600198
Energy: 1.0749210541118521
Energy: 1.0757922838660872
Energy: 1.074610609319691
Energy: 1.0764871703863343
Energy: 1.1552809122936616
Energy: 1.075549118771166
Energy: 1.1250185405377273
Energy: 1.0735100893405733
Energy: 1.0766134492130295
Energy: 1.1259655179432264
Energy: 1.0746985362683164
Energy: 1.0755264743358255
Energy: 1.1548977575753279
Energy: 1.0735860917929343
Energy: 1.1271913086747867
Energy: 1.074278025965179
Energy: 1.0756227666793408
Energy: 1.1253818882621496
Energy: 1.0745982718053717
Energy: 1.1549607878107393
Energy: 1.0776231154824025
Energy: 1.167878191333064
Energy: 1.0747512581937644
Energy: 1.0753859298555997
Energy: 1.1554003425157606
Energy: 1.078544860635393
Energy: 1.1677124452189551
Energy: 1.0744594563690733
Energy: 1.0757493750893137
Energy: 1.0737485852824031
Energy: 1.0743407714953412
Energy: 1.0748129021445156
Energy: 1.1560664399708465
Energy: 1.076355613465198
Energy: 1.0755283565236269
Energy: 1.0742873549490193
Energy: 1.0748230840146356
Energy: 1.0760124583038901
Energy: 1.1247306336550946
Energy: 1.078514558707532
Energy: 1.1553165605299436
Energy: 1.0767221222540466
Energy: 1.0751506033059943
Energy: 1.1240701811887057
Energy: 1.1236461681665657
Energy: 1.2132847122614474
Energy: 1.076043865510102
Energy: 1.0772978893827743
Energy: 1.07460108380058
Energy: 1.0740162155493587
Energy: 1.0725257616953994
Energy: 1.15534865235608
Energy: 1.1571453515522634
Energy: 1.0746836771033663
Energy: 1.0740018630973598
Energy: 1.128498239927118
Energy: 1.1548356812014258
Energy: 1.1562308243823098

minimum gb energy = 1.0725257616953994 eV
minimum distance =  2.31519155265497 Angstroms
sigma value = 15


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

Energy: 1.0947807683978885
Energy: 1.0887145600788692
Energy: 1.0914382501246718
Energy: 1.0576601697177266
Energy: 1.0904695465461909
Energy: 1.0786119242991985
Energy: 1.1144002630834586
Energy: 1.0906533619844538
Energy: 1.0583684763413146
Energy: 1.0916821230713565
Energy: 1.0759332703453743
Energy: 1.0543919897988538
Energy: 1.055000823172986
Energy: 1.0553096748658128
Energy: 1.1699789576932462
Energy: 1.0556666207049803
Energy: 1.0530378502496132
Energy: 1.0592756703303183
Energy: 1.0619110016965667
Energy: 1.1589544220926327
Energy: 1.048337584043279
Energy: 1.1070974618055127
Energy: 1.166808662156142
Energy: 1.1166471608781545
Energy: 1.1689839905415595
Energy: 1.0478978381643897
Energy: 1.1066965382258758
Energy: 1.1681944900336148
Energy: 1.1494607396918624
Energy: 1.1875179284446107
Energy: 1.1536166815224096
Energy: 1.13834030306894
Energy: 1.0816219231354653
Energy: 1.0610687334962388
Energy: 1.1881414919626427
Energy: 1.1450962483325142
Energy: 1.1219610612475308
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Energy: 1.0616068425789877
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Energy: 1.0609288415737728
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Energy: 1.1196470644787813
Energy: 1.26622185156933
Energy: 1.0596397928943795
Energy: 1.0863860265092253
Energy: 1.1262512563649223
Energy: 1.1198261669479885
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Energy: 1.1600188915054832
Energy: 1.0876084229895362
Energy: 1.0556447113311822
Energy: 1.078693826817048
Energy: 1.0754762709684798
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Energy: 1.0564811789599569
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Energy: 1.0782867206166067
Energy: 1.2729941131474993
Energy: 1.0603246711598593
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Energy: 1.0628763013711013
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Energy: 1.0597430228203122
Energy: 1.0601856753456624
Energy: 1.0623647355724628
Energy: 1.0610416246364203
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Energy: 1.0840027662609035
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Energy: 1.091194493995601
Energy: 1.0850008012436325
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Energy: 1.0553622698189862
Energy: 1.085265106900097
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Energy: 1.0558466255035468
Energy: 1.0899638686094608
Energy: 1.0567265800502117
Energy: 1.0611475316846348
Energy: 1.0543866892211151
Energy: 1.0692701822386468
Energy: 1.090132831799513
Energy: 1.0555100473008832
Energy: 1.0616589023647083
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Energy: 1.1499254466533293
Energy: 1.1126486665640618
Energy: 1.057934228150454
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Energy: 1.0554558694321183
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Energy: 1.1126647195785644
Energy: 1.0561208300569862
Energy: 1.0552643445688434
Energy: 1.0559880004358793
Energy: 1.0907740573459224
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Energy: 1.0681308455232699
Energy: 1.1031108816767354
Energy: 1.0799261300587222
Energy: 1.0679555343932094
Energy: 1.0694269399971026
Energy: 1.079262848203961
Energy: 1.1071298263099565
Energy: 1.0808454876593871
Energy: 1.0925751263747476
Energy: 1.0605036145161353
Energy: 1.0788256840582164
Energy: 1.1047683108699662
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Energy: 1.0913119278962908
Energy: 1.0608762652456314
Energy: 1.080970992910095
Energy: 1.0881787046918556
Energy: 1.0575033550423054
Energy: 1.1006898138968104
Energy: 1.0688840994249764
Energy: 1.077484576092815
Energy: 1.0559018710869674
Energy: 1.048233419478278
Energy: 1.1010446082197618
Energy: 1.0701813810880136
Energy: 1.0856027512564683
Energy: 1.0543126585944287
Energy: 1.0507719384583565
Energy: 1.1707556099622431
Energy: 1.1491218641278216
Energy: 1.174519403350636
Energy: 1.1019704651266116
Energy: 1.0989737014822132
Energy: 1.0795648026502618
Energy: 1.0376606570716316
Energy: 1.1731464646179657
Energy: 1.106328456353957
Energy: 1.098449638859301
Energy: 1.1745756328439516
Energy: 1.1851994843978704
Energy: 1.0543254713881292
Energy: 1.1623541116607656
Energy: 1.0708750848592299
Energy: 1.0601900953512011
Energy: 1.1829486422654294
Energy: 1.0543424316613925
Energy: 1.0610413953039255
Energy: 1.0963247053374359
Energy: 1.1229283003343449
Energy: 1.0523209813495134
Energy: 1.1498168601014864
Energy: 1.0596318605629111
Energy: 1.1882568132573421
Energy: 1.1220345028183538
Energy: 1.0503252408598147
Energy: 1.1844583417897228
Energy: 1.0608625153773612
Energy: 1.1664971595889722
Energy: 1.0626426977078944
Energy: 1.2940155896358037
Energy: 1.0702222481651575
Energy: 1.0884180985634002
Energy: 1.046211194986105
Energy: 1.0619819504569838
Energy: 1.2946426282157173
Energy: 1.0686964306923965
Energy: 1.1638701802636682
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Energy: 1.0559309509770753
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Energy: 1.0598561703189961
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Energy: 1.0697477119817715
Energy: 1.0810923564643515
Energy: 1.07545493732915
Energy: 1.079789276256958
Energy: 1.0807795972144865
Energy: 1.0623193191518037
Energy: 1.0809579169822159
Energy: 1.4563717983650453
Energy: 1.0596332862787354
Energy: 1.0554374358368757
Energy: 1.0599957516722345
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Energy: 1.0549601568396394
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Energy: 1.1391544791251231
Energy: 1.1000230142221634
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Energy: 1.0857204564802387
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Energy: 1.1234960226091653
Energy: 1.0917591135180975
Energy: 1.270332129022525
Energy: 1.1139336058279874
Energy: 1.0544193554735697
Energy: 1.1137404604282708
Energy: 1.092530895629414
Energy: 1.0488293275347345
Energy: 1.1140196427730369
Energy: 1.0552213215273758
Energy: 1.0891415260521544
Energy: 1.1794634761652574
Energy: 1.0580994604192673
Energy: 1.0573804905396962
Energy: 1.0547507826993057
Energy: 1.0629170485070303
Energy: 1.1805540495909677
Energy: 1.1397470444812259
Energy: 1.0553313490227805
Energy: 1.0544799696771738
Energy: 1.0617547513509837
Energy: 1.0908252340010034
Energy: 1.0801023083828174
Energy: 1.0709388101704282
Energy: 1.0199374677539532
Energy: 1.070132724792402
Energy: 1.0891731020543476
Energy: 1.0802907366395946
Energy: 1.0566666002473377
Energy: 1.0676354359059887
Energy: 1.0698721885955176
Energy: 1.1408424983004604
Energy: 1.1199321623957337
Energy: 1.0563294462492667
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Energy: 1.110802924762843
Energy: 1.1512215572444986
Energy: 1.1198485179256858
Energy: 1.0551864474599948
Energy: 1.0966172578729028
Energy: 1.0573997777476796
Energy: 1.1003565491401013
Energy: 1.0560449972091672
Energy: 1.062588179011871
Energy: 1.0551031590574111
Energy: 1.1474788842865302
Energy: 1.100075174207881
Energy: 1.0623167948630015
Energy: 1.0760667879676415
Energy: 1.0547368916300626
Energy: 1.147445366006802
Energy: 1.1710221531184697
Energy: 1.1466636787232276
Energy: 1.16904077948742
Energy: 1.1058049220031405
Energy: 1.085224075416086
Energy: 1.1693245909651782
Energy: 1.148215754436983
Energy: 1.1696863912371156
Energy: 1.107627764118314
Energy: 1.084164257675471
Energy: 1.1717520336289187
Energy: 1.1822791363589438
Energy: 1.064745483610084
Energy: 1.052450286454603
Energy: 1.0754083083815242
Energy: 1.170965559297427
Energy: 1.0604381968201486
Energy: 1.0632923807756511
Energy: 1.053653163495831
Energy: 1.0486588316618997
Energy: 1.0830062827953326
Energy: 1.0606793173849642
Energy: 1.2728312310573855
Energy: 1.112786802240189
Energy: 1.081935638262215
Energy: 1.0828940446096653
Energy: 1.059245085164036
Energy: 1.2749890324708617
Energy: 1.1140293942909243
Energy: 1.0918401049983808
Energy: 1.0700541136409938
Energy: 1.2957009228781016
Energy: 1.0709352105770338
Energy: 1.1694567125171196
Energy: 1.047265268851305
Energy: 1.0737555393087996
Energy: 1.067772070030592
Energy: 1.0688996584488075
Energy: 1.15784617120116
Energy: 1.0538546574818968
Energy: 1.060176293834927
Energy: 1.0698237717286685
Energy: 1.0856359472573418
Energy: 1.0550318740696594
Energy: 1.0522088720587661
Energy: 1.056280008366582
Energy: 1.1844897877786873
Energy: 1.0958513075362513
Energy: 1.0566966570011906
Energy: 1.0528255944013716
Energy: 1.125746625137834
Energy: 1.1770476116972646
Energy: 1.085749974182366
Energy: 1.0622054652527573
Energy: 1.0540585758630152
Energy: 1.1016329857480278
Energy: 1.1898842309885302
Energy: 1.0860437316319729
Energy: 1.0539327589495187
Energy: 1.0538831798466084
Energy: 1.0898881066979167
Energy: 1.1699025593504018
Energy: 1.1128376183427109
Energy: 1.097771201547078
Energy: 1.0894875036108502
Energy: 1.0907775867335103
Energy: 1.0544653435071498
Energy: 1.1144769899249212
Energy: 1.067576381159991
Energy: 1.0879010041837345
Energy: 1.0546714743437444
Energy: 1.054749857533551
Energy: 1.0868160706644903
Energy: 1.0740251612084906
Energy: 1.0592046267763562
Energy: 1.0548303699519297
Energy: 1.0561164811648536
Energy: 1.0879204423522044
Energy: 1.0752405786279133
Energy: 1.087380962465039
Energy: 1.0518997076070498
Energy: 1.0560503880760659
Energy: 1.0685506270908849
Energy: 1.020376993484051
Energy: 1.0604874438091993
Energy: 1.0523437016592996
Energy: 1.0545319752877158
Energy: 1.0627718236846484
Energy: 1.062967962805318
Energy: 1.0615226096030783
Energy: 1.052466261815856
Energy: 1.1623748218011376
Energy: 1.0637435484896403
Energy: 1.0625428174297051
Energy: 1.0623757551662307
Energy: 1.0521751873158693
Energy: 1.0878892023239273
Energy: 1.0645702408495592
Energy: 1.0821105431925055
Energy: 1.1028037376823094
Energy: 1.0564803264120894
Energy: 1.1114795257074606
Energy: 1.1853056055196147
Energy: 1.0504396261789635
Energy: 1.1096631372815031
Energy: 1.082333184095763
Energy: 1.110566506990397
Energy: 1.1847548847223912
Energy: 1.0528362905024755
Energy: 1.1101908932753695

minimum gb energy = 1.0199374677539532 eV
minimum distance =  2.25960790669346 Angstroms
sigma value = 437


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

Energy: 1.0579393246958273
Energy: 0.9765242627086103
Energy: 1.1175008740863805
Energy: 1.0462005163220576
Energy: 0.9800248007012626
Energy: 1.1586305022617935
Energy: 0.957255150774123
Energy: 1.1109993941873402
Energy: 1.0472510423869261
Energy: 0.9438376786396265
Energy: 1.1396668803273744
Energy: 1.0296163468943726
Energy: 1.0592512315036184
Energy: 1.061810060562402
Energy: 1.1258906413063279
Energy: 1.0405452075866057
Energy: 1.028046053166672
Energy: 1.0609726113688243
Energy: 1.0842953760547491
Energy: 1.1684682070760046
Energy: 0.9828133393642031
Energy: 0.9926591351330373
Energy: 0.9612938761173775
Energy: 0.962240462062846
Energy: 1.082894882512013
Energy: 0.9816192398302473
Energy: 1.0849917132257976
Energy: 1.0933566887697972
Energy: 0.9751684611622035
Energy: 1.0814382295946559
Energy: 0.9766139669018308
Energy: 0.9773039603897082
Energy: 0.9793483707332614
Energy: 0.9744331312478269
Energy: 1.0803065016869877
Energy: 0.960202852219465
Energy: 0.9705462348633516
Energy: 0.9790116554249548
Energy: 0.9749079458905007
Energy: 1.079699445766477
Energy: 0.9739773975706815
Energy: 0.9714638663159837
Energy: 0.9698472910453888
Energy: 0.9638477903134544
Energy: 0.9399922439816533
Energy: 0.9718572655289294
Energy: 0.9741482402049378
Energy: 0.9680996732944792
Energy: 0.9656658566164439
Energy: 0.9372542315873341
Energy: 0.9739129000375452
Energy: 0.9824618414436046
Energy: 1.0182202003845202
Energy: 0.9705405220323053
Energy: 1.0449744702919643
Energy: 0.9654046161220668
Energy: 0.9721543639099632
Energy: 1.0127407999943971
Energy: 0.9708678710199574
Energy: 1.0413368189587873
Energy: 1.0055944421238148
Energy: 0.9952644500335203
Energy: 1.017749675514273
Energy: 1.0606982382457206
Energy: 0.9859770531994868
Energy: 1.002839950744384
Energy: 0.9970819042923752
Energy: 0.9973002468150721
Energy: 1.0409842589073626
Energy: 0.9853736550888811
Energy: 1.0751995021344158
Energy: 0.982910127240556
Energy: 0.9726014671738596
Energy: 1.088449660723226
Energy: 1.1597325454759075
Energy: 0.9883796321417437
Energy: 0.9821899762232758
Energy: 0.972335479047103
Energy: 0.9726566096790463
Energy: 1.022775541978978
Energy: 0.973622471490411
Energy: 1.060445857307847
Energy: 0.95825182690764
Energy: 1.095023676261416
Energy: 0.9713329204810655
Energy: 0.9726118638904946
Energy: 1.0307315084588968
Energy: 0.9583730538419338
Energy: 1.2053307409259602
Energy: 0.9715332548388799
Energy: 1.0620851718010715
Energy: 1.1132469500393183
Energy: 0.972429074457655
Energy: 1.2187386350295373
Energy: 0.9861238993650887
Energy: 0.9785849332389019
Energy: 1.1040333616136488
Energy: 0.9724852130652653
Energy: 1.2159205733067207
Energy: 0.9872166221824505
Energy: 0.9741500470276274
Energy: 0.9496284435778648
Energy: 0.975168772615102
Energy: 0.990972409673073
Energy: 0.9674337819637774
Energy: 0.9709086525559186
Energy: 0.9499087996970641
Energy: 0.9750111586993214
Energy: 0.9950003691522701
Energy: 0.9527135013318928
Energy: 0.9490641055558648
Energy: 0.9514808008755972
Energy: 0.9424255346286153
Energy: 1.0151791566998059
Energy: 0.9395473943034722
Energy: 0.9494607719736755
Energy: 0.9511398840370031
Energy: 1.0461944614909804
Energy: 0.9599188158535095
Energy: 0.9381655539859218
Energy: 0.9499856579661022
Energy: 0.9728445639130222
Energy: 1.162452682308685
Energy: 1.1619398336272708
Energy: 1.0219857169841007
Energy: 0.9502742713010963
Energy: 0.9719796765637433
Energy: 1.2064650866828837
Energy: 1.1607603550480432
Energy: 0.9719849330240868
Energy: 1.0375034139750436
Energy: 1.0513756534593284
Energy: 1.0407078799045828
Energy: 0.9650706091064811
Energy: 0.9550782735675122
Energy: 1.0679066347271446
Energy: 1.0508689162968747
Energy: 1.1542395940973427
Energy: 0.9639398176691615
Energy: 1.0283534991681615

minimum gb energy = 0.9372542315873341 eV
minimum distance =  2.27911236133192 Angstroms
sigma value = 33