Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
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=60.0
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: 0.020224937583718544
Energy: 0.4937649558997149
Energy: 0.27547092067546297
Energy: 0.4937785789991815
Energy: 0.020224937583718544
Energy: 0.4937649558991998
Energy: 0.27547092067294443
Energy: 0.520644993749353
Energy: 0.021049800542036534
Energy: 0.25055122240918704
Energy: 0.021058315087793045
Energy: 0.520644993749353
Energy: 0.021049800542036534
Energy: 0.25055122240918704
Energy: 0.020224937583718544
Energy: 0.4937649558991998
Energy: 0.27547092067546297
Energy: 0.49377857899943906
Energy: 0.020224937583718544
Energy: 0.49376495589945735
Energy: 0.27547092067294443
Energy: 0.520644993749353
Energy: 0.021049800542036534
Energy: 0.25055122240918704
Energy: 0.021058315087793045
Energy: 0.520644993749353
Energy: 0.021049800542036534
Energy: 0.25055122240918704
Energy: 0.020224937583718544
Energy: 0.4937649558997149
Energy: 0.27547092067546297
Energy: 0.4937785789991815
Energy: 0.020224937583718544
Energy: 0.49376495589868463
Energy: 0.27547092067294443
Energy: 0.520644993749353
Energy: 0.021049800542036534
Energy: 0.25055122240918704
Energy: 0.021058315087793045
Energy: 0.520644993749353
Energy: 0.021049800542036534
Energy: 0.2505512224117055

minimum gb energy = 0.020224937583718544 eV
minimum distance =  2.52587674601792 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.046160432412813
Energy: 0.9705901597961778
Energy: 0.8969917532209956
Energy: 0.9707225709656425
Energy: 1.046160432412813
Energy: 0.9705901597961778
Energy: 0.8867908939269229
Energy: 0.8922010896089152
Energy: 0.9400321466286633
Energy: 0.9093314312213323
Energy: 0.9623028635068076
Energy: 0.8922010896089152
Energy: 0.9400321466317403
Energy: 0.9093314312244092
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Energy: 0.890338473212657
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Energy: 0.9052381471066344
Energy: 0.8903384732095802
Energy: 1.011565592194427
Energy: 0.9262501614985055
Energy: 0.8930853849214815
Energy: 0.9546067388667133
Energy: 1.01156559219135
Energy: 0.9262501614954286
Energy: 0.8930853849245585
Energy: 0.9999838993948298
Energy: 0.9076541069803529
Energy: 0.8751020445339495
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Energy: 0.9999838993917528
Energy: 0.9076541069803529
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Energy: 0.9680018337908363
Energy: 0.9614186120254495
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Energy: 0.9710068028649438
Energy: 0.8885176285228629
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Energy: 0.9067795852398487
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Energy: 0.9179251854928195
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Energy: 0.9679397549074855
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Energy: 0.9879897699199752
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Energy: 0.8973222288340458
Energy: 0.987989769926129
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Energy: 0.9473886677738014
Energy: 0.9225400970222363
Energy: 0.9516757890421699
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Energy: 0.917365756309668
Energy: 0.9225400970191595
Energy: 0.951675789036016
Energy: 0.995068039757262
Energy: 0.9233651312335097
Energy: 1.0008919375866483
Energy: 0.8834230627894121
Energy: 0.8843583226822376
Energy: 0.9233651312335097
Energy: 1.0008919375866483
Energy: 0.8834230627924887
Energy: 1.0352910345206443
Energy: 0.9298842840782021
Energy: 0.9435945776752994
Energy: 0.9299386246243396
Energy: 1.035291034526798
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Energy: 0.9435945776691458
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Energy: 0.9001895333175451
Energy: 0.9406527252453795
Energy: 0.9682303028067245
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Energy: 0.8849694850831223
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Energy: 0.9019721767553247
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Energy: 0.8824786383907822
Energy: 0.9840515796842197
Energy: 0.893382150968775
Energy: 0.9856837092398878
Energy: 0.8824786383877055
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Energy: 0.8985425490250287
Energy: 0.8979294514921021
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Energy: 0.9475421699353104
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Energy: 0.872481544692988
Energy: 0.8989747127410772
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Energy: 0.9870036726303834
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Energy: 0.925244708345642
Energy: 1.0223381524464243
Energy: 0.8564154737915215
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Energy: 0.9252447083364115
Energy: 1.0223381524464243
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Energy: 0.9901537982009591
Energy: 0.9147757400480859
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Energy: 0.9089912598721848
Energy: 0.9901537982040358
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Energy: 0.930044056617424
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Energy: 0.9266707348271382
Energy: 0.5032098105451502
Energy: 0.9300440566112702
Energy: -0.48713880384768465
Energy: 0.9266707348179076
Energy: 0.9383506905295561
Energy: 0.9008194549139886
Energy: 0.973808151685938
Energy: 0.9686244495447447
Energy: 0.9383506905295561
Energy: 0.9008194549109119
Energy: 0.9738081516920917
Energy: 1.0171045049925482
Energy: -0.6200356975632524
Energy: 0.843666122193183
Energy: 1.0295499974539706
Energy: 1.0171045049925482
Energy: -0.6200371516141929
Energy: 0.8436661221901063
Energy: 0.9126075944858859
Energy: 0.9325659938063495
Energy: 0.9071132977007302
Energy: 0.9551424012607788
Energy: 0.9126075944858859
Energy: 0.9325659938032728
Energy: 0.9071132976914997
Energy: 0.9202339266999894
Energy: 0.938670182975496
Energy: 0.9455759491333223
Energy: 0.9310237535183367
Energy: 0.9202339266969124
Energy: 0.9386701829724192
Energy: 0.9455759491302457
Energy: 0.9921420992150548
Energy: 0.9570919879243228
Energy: 0.8685688018052798
Energy: 0.9041231964679617
Energy: 0.9921420992119779
Energy: 0.9570919879304766
Energy: 0.8685688018083567
Energy: 0.9557559512122752
Energy: 0.8970920859325862
Energy: 0.994235301966917
Energy: 0.9085187199024543
Energy: 0.9557559512091983
Energy: 0.8970920859295094
Energy: 0.9942353019638401

minimum gb energy = -0.648064941952167 eV
minimum distance =  2.23041772369207 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.0553103268764485
Energy: 1.0107394917726062
Energy: 0.9464016277938158
Energy: 1.0109572297957978
Energy: 1.0553103268869264
Energy: 1.0107394917726062
Energy: 0.9385477219152248
Energy: 0.9873202280192697
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Energy: 0.885279199298575
Energy: 1.0348854782001282
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Energy: 0.7580791670007907
Energy: 0.8942099282520412
Energy: 0.9220665738311712
Energy: 0.8744824817150578
Energy: 0.8845220252087983
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Energy: 0.9220665738311712
Energy: 0.8744824817185503
Energy: 0.8845220252018767
Energy: 0.9220141086922359
Energy: 0.873884704992281
Energy: 0.8863435575141068
Energy: 0.9757148517150069
Energy: 0.9220141086922359
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Energy: 0.9211561834657707
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Energy: 1.0633398326172987
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Energy: 1.034493183166203
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Energy: 1.055310326879941
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Energy: 0.9440349288405343
Energy: 1.0109572297923053
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Energy: 0.9568449490992993
Energy: 0.7580791670007907
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Energy: 0.8845220252018767
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Energy: 0.873884704992281
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Energy: 0.9220141086887432
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Energy: 1.0633398326172987
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Energy: 0.7488136090447718
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Energy: 0.9224358352576533
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Energy: 1.011565485125725
Energy: 0.9269924642005487
Energy: 0.9224358352541607
Energy: 0.9487072596259006
Energy: 1.0115654851292175
Energy: 0.9224521766307046
Energy: 0.9266937166632
Energy: 1.01159825453977
Energy: 0.9484786614646861
Energy: 0.9224521766272119
Energy: 0.9266937166597075
Energy: 1.0115982545432622
Energy: 0.9234069388097867
Energy: 1.0633901032486
Energy: 1.0007214944483762
Energy: 0.7484951038449366
Energy: 0.9234069388202644
Energy: 1.0633901032486
Energy: 1.0007214944448837
Energy: 0.9219657388520889
Energy: 0.9755930704946925
Energy: 0.9750456144923172
Energy: 0.8741524048979759
Energy: 0.9219657388485963
Energy: 0.9755930704981849
Energy: 0.9750456144923172
Energy: 0.9222110295614375
Energy: 0.9233127548775286
Energy: 1.0002437910892694
Energy: 0.8753221960240919
Energy: 0.92221102955096
Energy: 0.9233127548845138
Energy: 1.0002437910892694
Energy: 0.9572097220108866
Energy: 0.9086538645382347
Energy: 0.9443963438470737
Energy: 0.7641139376021654
Energy: 0.957209722007394
Energy: 0.9086538645417274
Energy: 0.9443963438540588
Energy: 0.9292696022857004
Energy: 1.034493183166203
Energy: 0.9445116159205678
Energy: 0.8924304180093362
Energy: 0.929269602289193
Energy: 1.0344931831627104
Energy: 0.9445116159240603
Energy: 1.055310326879941
Energy: 1.0107394917726062
Energy: 0.9440349288405343
Energy: 1.0109572297923053
Energy: 1.0553103268869264
Energy: 1.0107394917726062
Energy: 0.944034928844027
Energy: 0.9873202280157769
Energy: 0.8920278285005534
Energy: 0.885279199298575
Energy: 1.0348854782001282
Energy: 0.9873202280157769
Energy: 0.8920278285005534
Energy: 0.8852791993090527

minimum gb energy = 0.7484951038449366 eV
minimum distance =  2.30645583752249 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9730369725456115
Energy: 1.0374388969891337
Energy: 1.0560364443060628
Energy: 1.03756182460371
Energy: 0.9730369725460148
Energy: 1.0374388969875206
Energy: 0.9677413387217585
Energy: 1.0438062689041039
Energy: 1.000032204868551
Energy: 0.9158341197367859
Energy: 0.9737348339263954
Energy: 1.0438062689024907
Energy: 1.000032204868551
Energy: 0.9158341197367859
Energy: 0.9661096565183739
Energy: 0.8918767053298446
Energy: 0.9437542145947068
Energy: 0.9028718828573783
Energy: 0.9661096565195837
Energy: 0.8918767053298446
Energy: 0.9437542145939001
Energy: 0.9299107054364765
Energy: 0.9071346504108373
Energy: 0.953415697622774
Energy: 0.9666500368759602
Energy: 0.9299107054384929
Energy: 0.9071346504120104
Energy: 0.953415697622774
Energy: 0.9447580350275164
Energy: 0.9641264693068088
Energy: 0.9903467339420121
Energy: 0.8914750765803043
Energy: 0.9447580350263065
Energy: 0.9641264693055988
Energy: 0.936317595535115
Energy: 0.9796152236656211
Energy: 0.9262574214942954
Energy: 0.957529625057253
Energy: 0.9874598473423893
Energy: 0.9796152236660245
Energy: 0.9262574214942954
Energy: 0.9575296250580596
Energy: 0.979325744858417
Energy: 0.9565848292469181
Energy: 0.8415375358732868
Energy: 0.8679504398688832
Energy: 0.979325744857207
Energy: 0.9565848292444986
Energy: 0.9024142571998486
Energy: 0.8990141960359594
Energy: 0.91682649644665
Energy: 0.988828944020008
Energy: 0.9060354544561221
Energy: 0.8990141960367659
Energy: 0.9168264964462469
Energy: 0.988828944018798
Energy: 0.9758961298781237
Energy: 0.9137809645775999
Energy: 1.0296884165645013
Energy: 0.9145923026502966
Energy: 0.9758961298761072
Energy: 0.9137809645784064
Energy: 1.0296884165661144
Energy: 0.9398425100666796
Energy: 0.872075631176647
Energy: 0.9719151748955889
Energy: 0.9489654186666707
Energy: 0.939842510067083
Energy: 0.8720756311778569
Energy: 0.9719151748923625
Energy: 1.0115091312907378
Energy: 0.9744852414172321
Energy: 0.993847116306349
Energy: 0.9255737653880305
Energy: 1.011509131291141
Energy: 0.9744852414176355
Energy: 0.993847116306349
Energy: 0.9608947440499043
Energy: 0.9572586844216275
Energy: 0.9708074448674111
Energy: 0.9592829101753603
Energy: 0.9608947440462746
Energy: 0.9572586844216275
Energy: 0.9708074448662013
Energy: 0.9755902428072
Energy: 0.9599517628553615
Energy: 1.0482307071666086
Energy: 0.9092870266784283
Energy: 0.9755902428063933
Energy: 0.9599517628573779
Energy: 1.0482307071678183
Energy: 0.9548443106627984
Energy: 0.8915522886743426
Energy: 0.9485220549345884
Energy: 0.8915600823946426
Energy: 0.9548443106603788
Energy: 0.8915522886751491
Energy: 0.9485220549337819
Energy: 0.9750539601170971
Energy: 0.9095306478261125
Energy: 1.0480653835951745
Energy: 0.9601378812526418
Energy: 0.9750539601154841
Energy: 0.9095306478257092
Energy: 1.0480653835951745
Energy: 0.9608011326423612
Energy: 0.9595189081721551
Energy: 0.9708396462960457
Energy: 0.9560581369193729
Energy: 0.9608011326431679
Energy: 0.9595189081697355
Energy: 0.970839646296449
Energy: 1.0117545334067222
Energy: 0.923315688825427
Energy: 0.993804506010276
Energy: 0.972278755020465
Energy: 1.0117545334055125
Energy: 0.923315688824217
Energy: 0.9938045060090662
Energy: 0.9383483085056998
Energy: 0.9464369835180483
Energy: 0.9719801022450945
Energy: 0.8723209354865892
Energy: 0.9383483085048931
Energy: 0.9464369835164351
Energy: 0.9719801022463045
Energy: 0.9758785429147823
Energy: 0.9178356641156958
Energy: 1.0169326327132646
Energy: 0.9138113338654358
Energy: 0.9758785429163954
Energy: 0.9178356641165023
Energy: 1.0169326327116512
Energy: 0.8989299645478747
Energy: 0.9062509098007003
Energy: 0.9881638469872678
Energy: 0.9166370639148084
Energy: 0.8989299645462615
Energy: 0.9062509098011037
Energy: 0.9881638469864612
Energy: 0.9791356469877074
Energy: 0.8681693538291105
Energy: 1.0810844571307527
Energy: 0.9572540213324876
Energy: 0.9791356469881107
Energy: 0.8681693538299171
Energy: 1.0810844571331721
Energy: 0.9796546046316519
Energy: 0.9874844238016415
Energy: 0.9575244157382837
Energy: 0.9263329423212229
Energy: 0.9796546046336684
Energy: 0.9874844238012381
Energy: 0.9575244157382837
Energy: 0.9447610887968888
Energy: 0.8914224413135724
Energy: 0.9311872622716337
Energy: 0.9651521626764761
Energy: 0.9447610887997118
Energy: 0.8914224413139755
Energy: 0.9311872622684074
Energy: 0.929882215559406
Energy: 0.9667123022690609
Energy: 0.9532606143576623
Energy: 0.9071699143586623
Energy: 0.929882215561019
Energy: 0.9667123022694643
Energy: 0.9532606143580656
Energy: 0.9663117301931676
Energy: 0.8952197537654429
Energy: 0.9783894008798757
Energy: 0.8919080046986814
Energy: 0.9663117301903447
Energy: 0.8952197537666527
Energy: 0.978389400880279
Energy: 1.0436071406615046
Energy: 0.9737451203518874
Energy: 0.9126238754812089
Energy: 1.0002013112795116
Energy: 1.0436071406594882
Energy: 0.9737451203514841
Energy: 0.9126238754804024
Energy: 0.9730369725468214
Energy: 1.0374388969867139
Energy: 0.9372228175280888
Energy: 1.0375618246033067
Energy: 0.9730369725472248
Energy: 1.0374388969891337
Energy: 0.9372228175256692
Energy: 1.0438062689020873
Energy: 1.0000322048673413
Energy: 0.9158341197363825
Energy: 0.9737348339267987
Energy: 1.0438062689032972
Energy: 1.0000322048681478
Energy: 0.9158341197379957
Energy: 0.9661096565191803
Energy: 0.8918767053290382
Energy: 0.9402311123398346
Energy: 0.9028718828565718
Energy: 0.9661096565175673
Energy: 0.8918767053298446
Energy: 0.9402311123378182
Energy: 0.9299107054360732
Energy: 0.9071346504108373
Energy: 0.9534156976207576
Energy: 0.9666500368755568
Energy: 0.9299107054360732
Energy: 0.9071346504112404
Energy: 0.9534156976223707
Energy: 0.9447580350263065
Energy: 0.9641264693064054
Energy: 0.9189055036066033
Energy: 0.8914750765827241
Energy: 0.9447580350255002
Energy: 0.9641264693084219
Energy: 0.9189055036045869
Energy: 0.9796152236660245
Energy: 0.9262574214946986
Energy: 0.9575296250568498
Energy: 0.9874598473435993
Energy: 0.9796152236656211
Energy: 0.9262574214922789
Energy: 0.9575296250568498
Energy: 0.9793257448576104
Energy: 0.9565848292469181
Energy: 0.9024142572006552
Energy: 0.867950439870093
Energy: 0.979325744858417
Energy: 0.9565848292477247
Energy: 0.9024142572010585
Energy: 0.8990141960351528
Energy: 0.9168264964458436
Energy: 0.9888289440232341
Energy: 0.9060354544557188
Energy: 0.8990141960343462
Energy: 0.9168264964474566
Energy: 0.9888289440232341
Energy: 0.9758961298777203
Energy: 0.9137809645784064
Energy: 1.0168050616610125
Energy: 0.9145923026519096
Energy: 0.9758961298777203
Energy: 0.9137809645784064
Energy: 1.0168050616614155
Energy: 0.9398425100650666
Energy: 0.8720756311770503
Energy: 0.9719151748939757
Energy: 0.9489654186666707
Energy: 0.9398425100654699
Energy: 0.8720756311778569
Energy: 0.971915174894379

minimum gb energy = 0.8415375358732868 eV
minimum distance =  2.27962170051986 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9551662167546706
Energy: 1.0640719574046156
Energy: 1.095032856702124
Energy: 1.0783182626687067
Energy: 0.9551662167551466
Energy: 1.0640719574041397
Energy: 0.8611801796853958
Energy: 1.0533787639380852
Energy: 0.8929725120652102
Energy: 0.7868758393961142
Energy: 0.8923973936097993
Energy: 1.053378763939513
Energy: 0.8929725120618786
Energy: 0.7868758393975419
Energy: 0.9554107696407239
Energy: 0.998431952827337
Energy: 0.7789849053623712
Energy: 1.0619573376540634
Energy: 0.9554107696421517
Energy: 0.998431952827813
Energy: 0.7789849053642751
Energy: 1.077493764240454
Energy: 0.8929968434992571
Energy: 0.7869183404779094
Energy: 0.8412711399391586
Energy: 1.0774937642390263
Energy: 0.8929968435016368
Energy: 0.7869183404798133
Energy: 0.967433172164551
Energy: 1.06220490988877
Energy: 1.0647681396276685
Energy: 1.0618054355796787
Energy: 0.967433172164551
Energy: 1.0622049098944815
Energy: 1.0647681396267166
Energy: 1.077503615510826
Energy: 0.7773595991669798
Energy: 0.990696558514298
Energy: 0.8381211386041497
Energy: 1.077503615510826
Energy: 0.7773595991722153
Energy: 0.9906965585133461
Energy: 1.1192686295138545
Energy: 1.0622992069264432
Energy: 0.8914399550576534
Energy: 1.061379927434612
Energy: 1.1192686295157583
Energy: 1.0622992069259671
Energy: 0.9271066588395678
Energy: 1.0778539906664661
Energy: 0.880871233720785
Energy: 1.2147483081874335
Energy: 0.8807907259901292
Energy: 1.0778539906664661
Energy: 0.8808712337231648
Energy: 1.2147483081888615
Energy: 1.1195563503826094
Energy: 1.0613456045733187
Energy: 0.9070604803084938
Energy: 1.0623660210704111
Energy: 1.1195563503883208
Energy: 1.0613456045704632
Energy: 0.9909814449168114
Energy: 1.0675631109850994
Energy: 0.8381093284837663
Energy: 0.9906512648568291
Energy: 0.7776673050678145
Energy: 1.067563110987955
Energy: 0.8381093284851943
Energy: 0.9906512648554011
Energy: 0.9681601248783034
Energy: 1.0618262529963052
Energy: 0.9451720201467108
Energy: 1.063743513550976
Energy: 0.9681601248792552
Energy: 1.0618262529944014
Energy: 0.9050092996877321
Energy: 1.0779207012816505
Energy: 0.8413077964443727
Energy: 0.7869352926858414
Energy: 0.8932303943859946
Energy: 1.0779207012835543
Energy: 0.8413077964496082
Energy: 0.7869352926853654
Energy: 0.9555644544328639
Energy: 1.0619484987973227
Energy: 0.7946932485718796
Energy: 0.9984341586760963
Energy: 0.9555644544352436
Energy: 1.0619484987935153
Energy: 0.9104562870004997
Energy: 1.0538108418808332
Energy: 0.8915421738976441
Energy: 0.7871436220299486
Energy: 0.8927273245860853
Energy: 1.0538108418775016
Energy: 0.8915421738976441
Energy: 0.7871436220289967
Energy: 0.9551662167541948
Energy: 1.0640719574036637
Energy: 1.0168315445752967
Energy: 1.0783182626677548
Energy: 0.9551662167541948
Energy: 1.0640719574041397
Energy: 0.8611801796849198
Energy: 1.0533787639380852
Energy: 0.8929725120633064
Energy: 0.7868758393961142
Energy: 0.8923973936083713
Energy: 1.0533787639385608
Energy: 0.8929725120633064
Energy: 0.7868758393975419
Energy: 0.955410769638344
Energy: 0.998431952827337
Energy: 0.7789849053618952
Energy: 1.0619573376545393
Energy: 0.9554107696421517
Energy: 0.998431952826861
Energy: 0.778984905363799
Energy: 1.0774937642399782
Energy: 0.8929968434983051
Energy: 0.7869183404783855
Energy: 0.8412711399405864
Energy: 1.0774937642395022
Energy: 0.8929968435011609
Energy: 0.7869183404788614
Energy: 0.967433172165027
Energy: 1.062204909888294
Energy: 1.0647681396271926
Energy: 1.061805435576823
Energy: 0.9674331721635991
Energy: 1.0622049098940056
Energy: 1.0647681396262405
Energy: 1.077503615510826
Energy: 0.7773595991717394
Energy: 0.990696558514774
Energy: 0.8381211386031979
Energy: 1.07750361551035
Energy: 0.7773595991707876
Energy: 0.9906965585138221
Energy: 1.1192686295152823
Energy: 1.062299206925491
Energy: 0.8914399550581295
Energy: 1.061379927435088
Energy: 1.1192686295157583
Energy: 1.062299206925491
Energy: 0.9619424858140097
Energy: 1.0778539906659903
Energy: 0.880871233721261
Energy: 1.2147483081864816
Energy: 0.8807907259906052
Energy: 1.077853990667418
Energy: 0.8808712337231648
Energy: 1.2147483081883854
Energy: 1.1195563503830854
Energy: 1.0613456045733187
Energy: 0.9070604803080179
Energy: 1.0623660210708872
Energy: 1.1195563503887966
Energy: 1.061345604570939
Energy: 0.9909814449168114
Energy: 1.0675631109836714
Energy: 0.8381093284847183
Energy: 0.9906512648558771
Energy: 0.7776673050682904
Energy: 1.067563110988431
Energy: 0.8381093284851943
Energy: 0.9906512648558771
Energy: 0.9681601248792552
Energy: 1.0618262529963052
Energy: 0.9451720201471867
Energy: 1.0637435135514521
Energy: 0.9681601248792552
Energy: 1.0618262529948772
Energy: 0.9436674443426492
Energy: 1.0779207012826024
Energy: 0.8413077964472284
Energy: 0.7869352926853654
Energy: 0.8932303943850426
Energy: 1.0779207012835543
Energy: 0.8413077964491322
Energy: 0.7869352926863175
Energy: 0.9555644544338158
Energy: 1.0619484987968468
Energy: 0.7946932485752112
Energy: 0.9984341586751444
Energy: 0.9555644544357196
Energy: 1.0619484987939911
Energy: 0.8964185881578047
Energy: 1.0538108418803571
Energy: 0.891542173897168
Energy: 0.7871436220299486
Energy: 0.8927273245870372
Energy: 1.0538108418779775
Energy: 0.891542173898596
Energy: 0.7871436220289967
Energy: 0.9551662167541948
Energy: 1.0640719574046156
Energy: 1.0168315445772003
Energy: 1.0783182626691825
Energy: 0.9551662167551466
Energy: 1.0640719574036637
Energy: 0.8611801796853958
Energy: 1.0533787639385608
Energy: 0.8929725120637824
Energy: 0.7868758393961142
Energy: 0.8923973936097993
Energy: 1.0533787639399887
Energy: 0.8929725120633064
Energy: 0.7868758393975419

minimum gb energy = 0.7773595991669798 eV
minimum distance =  2.26093300616145 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.0999813170488675
Energy: 1.0771492478528566
Energy: 0.952180039184198
Energy: 1.0771600941215242
Energy: 1.0999813170488675
Energy: 1.0771492478522786
Energy: 0.8915739612616346
Energy: 0.9823552336620519
Energy: 0.9098495497150568
Energy: 0.8971897882356747
Energy: 0.9106418943347744
Energy: 0.9823552336626296
Energy: 0.90984954971159
Energy: 0.897189788234519
Energy: 1.10013488756581
Energy: 0.9524462025154803
Energy: 0.8236378481808204
Energy: 1.0407227614694081
Energy: 1.1001348875646542
Energy: 0.952446202513747
Energy: 0.8236378481790871
Energy: 0.9969925246638882
Energy: 0.9117942950816363
Energy: 0.9026899237230429
Energy: 0.8793000762792315
Energy: 0.9969925246627325
Energy: 0.9117942950816363
Energy: 0.9026899237253541
Energy: 0.8879837244346149
Energy: 0.8585685921427778
Energy: 0.9036256711174298
Energy: 0.9302631631695559
Energy: 0.8879837244340373
Energy: 0.8585685921427778
Energy: 0.9036256711168521
Energy: 0.9969880950260269
Energy: 0.9077545268926019
Energy: 0.9646713190310819
Energy: 0.8776782016475757
Energy: 0.9969880950248714
Energy: 0.9077545268926019
Energy: 0.9646713190299264
Energy: 0.9723186946061974
Energy: 0.7892021223672994
Energy: 0.9038186956412536
Energy: 0.9004115774478921
Energy: 0.9723186946067752
Energy: 0.7892021223672994
Energy: 0.9038186956406756
Energy: 1.0392357498438927
Energy: 0.9868948289037093
Energy: 1.0060379266591288
Energy: 0.8779322224566581
Energy: 1.0392357498444704
Energy: 0.9868948289042871
Energy: 1.0060379266579733
Energy: 0.9722121917534583
Energy: 0.8816576044762964
Energy: 1.00613801282042
Energy: 0.9615021349405788
Energy: 0.9722121917523026
Energy: 0.8816576044780298
Energy: 1.00613801282042
Energy: 1.0862691106601008
Energy: 0.9120377696623458
Energy: 0.8865477261428757
Energy: 0.8784887014506774
Energy: 1.086269110658945
Energy: 0.9120377696623458
Energy: 0.8865477261422978
Energy: 0.9353010818608388
Energy: 0.8156091653783742
Energy: 0.9733144918570216
Energy: 0.8155254650778253
Energy: 0.9353010818619943
Energy: 0.8156091653795298
Energy: 0.973314491855866
Energy: 0.8632752157281319
Energy: 0.9341015237548863
Energy: 0.8499670299646255
Energy: 0.8744803260436054
Energy: 0.8632752157281319
Energy: 0.9341015237554641
Energy: 0.8499670299652032
Energy: 0.9317071617668558
Energy: 0.821170369511242
Energy: 0.9310550849868496
Energy: 0.8046925929304264
Energy: 0.9317071617668558
Energy: 0.8211703695106641
Energy: 0.931055084988005
Energy: 0.8791294237426027
Energy: 0.9353812856066525
Energy: 0.8461621993346078
Energy: 0.9083965966178359
Energy: 0.879129423742025
Energy: 0.9353812856078081
Energy: 0.8461621993346078
Energy: 0.9896391747363634
Energy: 0.8487367377914764
Energy: 0.9713948180326984
Energy: 0.8036119611055104
Energy: 0.9896391747357856
Energy: 0.8487367377932099
Energy: 0.9713948180321207
Energy: 0.8789044683051536
Energy: 0.9576265626343573
Energy: 0.8679781305493954
Energy: 0.9865502703348377
Energy: 0.878904468303998
Energy: 0.9576265626337795
Energy: 0.8679781305493954
Energy: 0.9896763176886301
Energy: 0.8565973961525204
Energy: 0.9439908687908968
Energy: 0.8014114978698269
Energy: 0.9896763176874744
Energy: 0.8565973961519427
Energy: 0.943990868789741
Energy: 0.8792251377767237
Energy: 0.9745841810023538
Energy: 0.8632069890511229
Energy: 1.0087977439774243
Energy: 0.8792251377767237
Energy: 0.9745841810017759
Energy: 0.8632069890517008
Energy: 0.8676235380439268
Energy: 0.8405891765195486
Energy: 0.9186228525497658
Energy: 0.9104404862096159
Energy: 0.8676235380427975
Energy: 0.840589176521282
Energy: 0.9186228525503437
Energy: 0.8814435504596183
Energy: 1.0209009942920115
Energy: 0.8271406421709512
Energy: 0.8731856744542724
Energy: 0.8814435504607738
Energy: 1.0209009942897005
Energy: 0.82714064217384
Energy: 0.9719490219124803
Energy: 0.8707109464597909
Energy: 0.9248483444519632
Energy: 0.840661032856846
Energy: 0.9719490219130582
Energy: 0.8707109464609465
Energy: 0.924848344452541
Energy: 0.8790854507870713
Energy: 1.0086675996786418
Energy: 0.8627337339729256
Energy: 0.9747001384069567
Energy: 0.8790854507864935
Energy: 1.0086675996774863
Energy: 0.8627337339717701
Energy: 0.9900927118214924
Energy: 0.8012751926514446
Energy: 0.9438140673606142
Energy: 0.8567966508409292
Energy: 0.9900927118203369
Energy: 0.8012751926514446
Energy: 0.9438140673628992
Energy: 0.8789572305942934
Energy: 0.9866059137997629
Energy: 0.903125904137389
Energy: 0.9574898474295975
Energy: 0.8789572305937156
Energy: 0.9866059137997629
Energy: 0.9031259041368112
Energy: 0.9896341792441468
Energy: 0.8039097917235001
Energy: 0.8386288137299962
Energy: 0.848606197650044
Energy: 0.9896341792447246
Energy: 0.8039097917188778
Energy: 0.8386288137288407

minimum gb energy = 0.7892021223672994 eV
minimum distance =  2.26403511516523 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.8729844444485159
Energy: 0.8867273616072188
Energy: 0.838101752757429
Energy: 0.8867535690300773
Energy: 0.8729844444517405
Energy: 0.8867273616007696
Energy: 0.8226394438216934
Energy: 0.9642509872028493
Energy: 0.9068146488360196
Energy: 1.0324856861998326
Energy: 0.902086882492842
Energy: 0.9642509871996247
Energy: 0.9068146488327948
Energy: 1.0324856861998326
Energy: 0.8728798388765022
Energy: -0.9803647953423985
Energy: 0.8327214815887672
Energy: 0.8251486791694131
Energy: 0.8728798388732776
Energy: -0.980224112843888
Energy: 0.8327214815984413
Energy: 0.8184540708121459
Energy: 0.8951334528791097
Energy: 0.9088239807647247
Energy: 0.9033474807444792
Energy: 0.8184540708153707
Energy: 0.8951334528791097
Energy: 0.9088239807679493
Energy: 0.8567483685397453
Energy: 0.8574152756276744
Energy: 0.9116621598613215
Energy: 0.8228390615371416
Energy: 0.8567483685397453
Energy: 0.8574152756212252
Energy: 0.9116621598645461
Energy: 0.8194363150336127
Energy: 0.8573062512621509
Energy: 0.9010840027606796
Energy: 0.8324406133146363
Energy: 0.819436315030388
Energy: 0.8573062512621509
Energy: 0.9010840027606796
Energy: 0.8868380656705266
Energy: 0.8568107154893364
Energy: 0.8980792041851474
Energy: 0.8150008136059691
Energy: 0.886838065667302
Energy: 0.8568107154861117
Energy: 0.8980792041883721
Energy: 0.8256855732440201
Energy: 0.8260711575695079
Energy: 0.9645329267071824
Energy: 0.8163499978825385
Energy: 0.8256855732375709
Energy: 0.8260711575727325
Energy: 0.9645329267071824
Energy: 0.8459402819018613
Energy: 0.8913319878484879
Energy: 0.8715537613721854
Energy: 0.8366749961722312
Energy: 0.8459402818986366
Energy: 0.8913319878420385
Energy: 0.8715537613786348
Energy: 0.8154633950966396
Energy: 0.825865098104612
Energy: 0.7755381040542703
Energy: 0.833182372420339
Energy: 0.8154633950934149
Energy: 0.825865098104612
Energy: 0.7755381040607197
Energy: 0.8633666603243557
Energy: 0.8273949663503424
Energy: 0.8139677780300337
Energy: 0.8197295406838825
Energy: 0.863366660321131
Energy: 0.8273949663471176
Energy: 0.8139677780300337
Energy: 0.8149326747104731
Energy: 0.8174003874360004
Energy: 0.928755863071694
Energy: 0.8196050392282445
Energy: 0.8149326747136978
Energy: 0.8174003874392252
Energy: 0.9287558630652447
Energy: 0.8634845897642822
Energy: 0.8342733399760165
Energy: 0.8062397116701813
Energy: 0.8183540940094967
Energy: 0.8634845897707314
Energy: 0.8342733399792412
Energy: 0.8062397116637321
Energy: -0.07550026579460142
Energy: 0.8480382511378917
Energy: 0.8935068822312293
Energy: 0.8090718579456945
Energy: -0.07550026594932553
Energy: 0.848038251131501
Energy: 0.8935068822280046
Energy: 0.860784183900983
Energy: 0.8065495516020165
Energy: 0.7868078945775575
Energy: 0.8480551867142336
Energy: 0.8607841839074322
Energy: 0.8065495516020165
Energy: 0.7868078945775575
Energy: 0.8553461281369926
Energy: 0.8165253808877695
Energy: 0.8111321974197772
Energy: 0.821260939089686
Energy: 0.8553461281402173
Energy: 0.816525380890994
Energy: 0.8111321974133866
Energy: 0.8333978398030712
Energy: 0.834628181450189
Energy: 0.8377184352961545
Energy: 0.8177034267126377
Energy: 0.8333978398030712
Energy: 0.834628181450189
Energy: 0.8377184352961545
Energy: 0.8146636573423827
Energy: 0.8070658642865904
Energy: 0.7689106752238379
Energy: 0.8553866799113911
Energy: 0.8146636573423827
Energy: 0.8070658642898152
Energy: 0.7689106752206133
Energy: 0.8336288838054963
Energy: 0.837131433064821
Energy: 1.0216327903774964
Energy: 0.8586982236212852
Energy: 0.8336288838087208
Energy: 0.8371314330680456
Energy: 1.0216327903774964
Energy: 0.8551131380250917
Energy: 0.8279144621370539
Energy: 0.7904360185085731
Energy: 0.8365790720548437
Energy: 0.8551131380250917
Energy: 0.8279144621370539
Energy: 0.7904360185053484
Energy: 0.8130504195424518
Energy: 0.8248844466609845
Energy: 0.9846139447980722
Energy: 0.9416330945056921
Energy: 0.8130504195521259
Energy: 0.8248844466609845
Energy: 0.9846139447980722
Energy: 0.8490334874070342
Energy: 0.8213570550849567
Energy: 0.8305122079383254
Energy: 0.832526584121801
Energy: 0.8490334874070342
Energy: 0.8213570550946305
Energy: 0.8305122079383254
Energy: 0.8231382217955079
Energy: 0.8210757080764449
Energy: 0.9534811323478526
Energy: 0.9120598016278957
Energy: 0.8231382217922832
Energy: 0.8210757080796695
Energy: 0.9534811323478526
Energy: 0.8313802001079444
Energy: 0.87700460086171
Energy: 0.7555380508854767
Energy: 0.8312159309450372
Energy: 0.8313802001079444
Energy: 0.87700460086171
Energy: 0.7555380508887012
Energy: 0.8222236812974085
Energy: 0.8915675266510711
Energy: 0.9725223842748218
Energy: 0.855300976189223
Energy: 0.8222236812941839
Energy: 0.8915675266478464
Energy: 0.9725223842780466
Energy: 0.8762971701409359
Energy: 0.8006678676353147
Energy: 0.8663994316799345
Energy: 0.7742886700081514
Energy: 0.8762971701377114
Energy: 0.8006678676320903
Energy: 0.8663994316831591
Energy: 0.8748749262480183
Energy: 0.8906366040402909
Energy: 0.8465764268700178
Energy: 0.8299020050868595
Energy: 0.874874926251243
Energy: 0.8906366040370661
Energy: 0.8465764268667932
Energy: 0.8741071916386373
Energy: 0.7759024814044039
Energy: 0.8505175081945794
Energy: 0.8335916440036402
Energy: 0.8741071916515357
Energy: 0.7759024814011792
Energy: 0.8505175082010288
Energy: 0.9342628176123932
Energy: 0.8838210551251573
Energy: 0.8517202902854702
Energy: 0.9753687294781015
Energy: 0.9342628176188424
Energy: 0.8838210551251573
Energy: 0.8517202902822455
Energy: 0.874014135500103
Energy: 0.8977278445473086
Energy: 0.8331035827160678
Energy: 0.7733925474980455
Energy: 0.8740141355033277
Energy: 0.8977278445440839
Energy: 0.833103582722517
Energy: 0.943776316140849
Energy: 0.8930312927981617
Energy: 0.8981293930838773
Energy: 0.9763034612833126
Energy: 0.9437763161376242
Energy: 0.8930312928013864
Energy: 0.8981293930967759
Energy: 0.873813634919413
Energy: 0.8141074721251633
Energy: 0.7975507892058649
Energy: 0.8201006687805762
Energy: 0.8738136349161884
Energy: 0.814107472118714
Energy: 0.7975507892058649
Energy: 0.9437297076701885
Energy: 0.8378282486381168
Energy: 0.9663625038331133
Energy: 0.8741493804195136
Energy: 0.9437297076669638
Energy: 0.8378282486381168
Energy: 0.9663625038331133
Energy: 0.9118289667991517
Energy: 0.8179165245177441
Energy: 0.8897538463685601
Energy: 0.8209737259711805
Energy: 0.9118289667959272
Energy: 0.8179165245209687
Energy: 0.8897538463685601
Energy: 0.9924451136745498
Energy: 0.8326186628765468
Energy: 0.8550429231482003
Energy: 0.9286374085705038
Energy: 0.9924451136713252
Energy: 0.8326186628829962
Energy: 0.8550429231482003
Energy: 0.9788962708978293
Energy: 0.8884011636981258
Energy: 0.8533039750604022
Energy: 0.8227442664162216
Energy: 0.9788962708913799
Energy: 0.8884011636981258
Energy: 0.8533039750571776
Energy: 0.9908551164687411
Energy: 0.8946401693517481
Energy: 0.8233715773636345
Energy: 0.9176996410354978
Energy: 0.9908551164655165
Energy: 0.8946401693549728
Energy: 0.8233715773636345
Energy: 0.8461077016967713
Energy: 0.8891242981598355
Energy: 0.8983816320003879
Energy: 0.8269229377438702
Energy: 0.8461077017032206
Energy: 0.8891242981598355
Energy: 0.8983816319939385
Energy: 0.990148230311445
Energy: 0.9331479331870991
Energy: 0.808055382472149
Energy: 0.9339731390085406
Energy: 0.9901482303082204
Energy: 0.9331479331903237
Energy: 0.8080553828137851
Energy: 0.8459545414807148
Energy: 0.8665425442717817
Energy: 0.7580730540223141
Energy: 0.9075357485180321
Energy: 0.8459545414774902
Energy: 0.866542544268557
Energy: 0.7580730540190894
Energy: 0.8865687893500996
Energy: 0.9227222491135465
Energy: 0.9060185940201511
Energy: 0.9340563144331795
Energy: 0.8865687893500996
Energy: 0.9227222491135465
Energy: 0.9060185940137018
Energy: 0.8460097828192905
Energy: 0.8545323341796015
Energy: 0.8090494583157796
Energy: 0.8473046880909726
Energy: 0.8460097828225152
Energy: 0.8545323341827673
Energy: 0.8090494583190041
Energy: -0.07760422456461309
Energy: 0.9228450639611719
Energy: 0.7661425761964026
Energy: 0.9257684014941395
Energy: -0.07760422457106238
Energy: 0.9228450639643967
Energy: 0.7661425761996272
Energy: 0.9127048640784606
Energy: 0.8470835825656007
Energy: 0.9559066827943565
Energy: 0.817894857703053
Energy: 0.9127048640752361
Energy: 0.8470835825688253
Energy: 0.9559066827911319
Energy: 0.8176982404345062
Energy: 0.9230223424096853
Energy: 0.8600493340843888
Energy: 0.8949843807875226
Energy: 0.8176982404312817
Energy: 0.9230223424161347
Energy: 0.8600493340811642

minimum gb energy = -0.9803647953423985 eV
minimum distance =  2.17738230715643 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.8307912423433778
Energy: 0.5491661189823993
Energy: 1.449287215962191
Energy: 0.5491661189823993
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.44748304920605764
Energy: 0.8307912423411966
Energy: 0.5491661189802183
Energy: 1.4492872159636454
Energy: 0.5491661189809453
Energy: 0.8307912423433778
Energy: 0.5491661189809453
Energy: 1.4492872159614643
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.9916074710666313
Energy: 0.5491661189809453
Energy: 0.8307912423419237
Energy: 0.5491661189802183
Energy: 0.9916074715339167
Energy: 0.8307912423433778
Energy: 0.5491661189823993
Energy: 0.9916074747895814
Energy: 0.5491661189823993
Energy: 0.8307912423411966
Energy: 0.5491661189802183
Energy: 0.4474832298333828
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.9916074711472992
Energy: 0.5491661189802183
Energy: 0.8307912423433778
Energy: 0.5491661189809453
Energy: 0.9916074705121676
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.4132583298336668
Energy: 0.5491661189809453
Energy: 0.8307912423426508
Energy: 0.5491661189802183
Energy: 0.413257708179679
Energy: 0.8307912423433778
Energy: 0.5491661189823993
Energy: 0.41325858807245336
Energy: 0.5491661189823993
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.44748340314127877
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.413259027125347
Energy: 0.5491661189809453
Energy: 0.8307912423433778
Energy: 0.5491661189809453
Energy: 0.41325850480207865
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.4065931285448681
Energy: 0.5491661189809453
Energy: 0.8307912423426508
Energy: 0.5491661189802183
Energy: 0.4066143069663869
Energy: 0.8307912423441047
Energy: 0.5491661189823993
Energy: 0.40659842366747573
Energy: 0.5491661189823993
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.4474835771431631
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.4065769579967715
Energy: 0.5491661189802183
Energy: 0.8307912423426508
Energy: 0.5491661189809453
Energy: 0.4066040267840019
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.4474838163617115
Energy: 0.5491661189809453
Energy: 0.8307912423426508
Energy: 0.5491661189794912
Energy: 0.4474836798538041
Energy: 0.8307912423448319
Energy: 0.5491661189823993
Energy: 0.4474838554930053
Energy: 0.5491661189823993
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.4474837287005385
Energy: 0.8307912423411966
Energy: 0.5491661189802183
Energy: 0.44748391853821284
Energy: 0.5491661189809453
Energy: 0.8307912423426508
Energy: 0.5491661189809453
Energy: 0.4474838234442262
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.44748398250348365
Energy: 0.5491661189809453
Energy: 0.8307912423426508
Energy: 0.5491661189802183
Energy: 0.44748386399479234
Energy: 0.8307912423448319
Energy: 0.5491661189823993
Energy: 0.44748401213734845
Energy: 0.5491661189823993
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.44748389599049787
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.44748408115181426
Energy: 0.5491661189802183
Energy: 0.8307912423426508
Energy: 0.5491661189809453
Energy: 0.4474840136685512
Energy: 0.8307912423411966
Energy: 0.5491661189809453
Energy: 0.4474841537918074
Energy: 0.5491661189809453
Energy: 0.8307912423419237
Energy: 0.5491661189802183
Energy: 0.447484069321659
Energy: 0.8307912423448319
Energy: 0.5491661189816722
Energy: 0.44748419139702084
Energy: 0.5491661189823993
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.447484070153718
Energy: 0.8307912423419237
Energy: 0.5491661189809453
Energy: 0.4474842726340426
Energy: 0.5491661189809453
Energy: 0.8307912423426508
Energy: 0.5491661189809453
Energy: 0.44748419896717806

minimum gb energy = 0.4065769579967715 eV
minimum distance =  2.40489736785359 Angstroms
sigma value = 23