Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349977866791
mass=58.6934
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: 0.02221872642826881
Energy: 0.6789243698255681
Energy: 0.7386293482330141
Energy: 0.6788582429187214
Energy: 0.02221872642826881
Energy: 0.6789243698282068
Energy: 0.7386293482330141
Energy: 0.7379014146063924
Energy: 0.022396680549731148
Energy: 0.3640114305134739
Energy: 0.022440700415656555
Energy: 0.7379014146063924
Energy: 0.022396680549731148
Energy: 0.3640114305134739
Energy: 0.02221872642826881
Energy: 0.6789243698255681
Energy: 0.7386293482330141
Energy: 0.6788582429187214
Energy: 0.02221872642826881
Energy: 0.6789243698282068
Energy: 0.7386293482330141
Energy: 0.7379014146063924
Energy: 0.022396680549731148
Energy: 0.3640114305134739
Energy: 0.022440700418295136
Energy: 0.7379014146063924
Energy: 0.022396680549731148
Energy: 0.3640114305134739
Energy: 0.02221872642826881
Energy: 0.6789243698255681
Energy: 0.7386293482330141
Energy: 0.6788582429187214
Energy: 0.02221872642826881
Energy: 0.6789243698282068
Energy: 0.7386293482330141
Energy: 0.7379014146063924
Energy: 0.022396680549731148
Energy: 0.3640114305134739
Energy: 0.022440700418295136
Energy: 0.7379014146063924
Energy: 0.022396680549731148
Energy: 0.3640114305134739

minimum gb energy = 0.02221872642826881 eV
minimum distance =  2.47155950616633 Angstroms
sigma value = 5


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

Energy: 1.7416279215106047
Energy: 1.7355493754041336
Energy: 1.8676505150273588
Energy: 1.7359160719145685
Energy: 1.7416279215041577
Energy: 1.7355493753944633
Energy: 1.8676505150337472
Energy: 1.627397852253995
Energy: 1.6318748577287976
Energy: 1.7523982169351762
Energy: 1.6627115157963703
Energy: 1.6273978522507715
Energy: 1.6318748577384683
Energy: 1.7523982169351762
Energy: 1.624890108712595
Energy: 1.6430505902250208
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Energy: 1.6428886441625281
Energy: 1.624890108712595
Energy: 1.6430505902185737
Energy: 1.8167398486593778
Energy: 1.7424820053124976
Energy: 1.6940787184977089
Energy: 1.8086359943314037
Energy: 1.655888159419345
Energy: 1.7424820053124976
Energy: 1.6940787184944854
Energy: 1.8086359943346269
Energy: 1.6308975052465597
Energy: 1.6054202142921232
Energy: 1.8546205688176363
Energy: 1.6848746957193648
Energy: 1.6308975052497834
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Energy: 1.8473846618991536
Energy: 1.6993343941754806
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Energy: 1.6922762101686735
Energy: 1.6270720725139467
Energy: 1.7090590387661533
Energy: 1.9200415958547075
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Energy: 1.627072072520394
Energy: 1.7090590387597064
Energy: 1.9200415958579309
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Energy: 1.8477108890702665
Energy: 1.6911312627842554
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Energy: 1.6319379541455208
Energy: 1.7216138836241126
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Energy: 1.8086031030721108
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Energy: 1.6720455697539975
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Energy: 1.6436099690902908
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Energy: 1.6441983192145184
Energy: 1.6435618792561284
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Energy: 1.7963240136780807
Energy: 1.8919170277858346
Energy: 1.752017693465283
Energy: 1.6861032713814728
Energy: 1.7963240136780807
Energy: 1.891917027782611
Energy: 1.6351301736617858
Energy: 1.6539020644675064
Energy: 1.7121500294337704
Energy: 1.6629636703803694
Energy: 1.6351301736553387
Energy: 1.65390206447073
Energy: 1.7121500294337704
Energy: 1.6293107300563074
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Energy: 1.6433552182076745
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Energy: 1.6433552182044509
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Energy: 1.6264605704154165
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Energy: 1.7009530345664075
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Energy: 1.737152479579111
Energy: 1.801151484904585
Energy: 1.6525150263521398
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Energy: 1.9050239172477652
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Energy: 1.7270734231803295
Energy: 1.834305632576138
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Energy: 1.7270734231706588
Energy: 1.8481346000220558
Energy: 1.6626659323050776
Energy: 1.6293081076597122
Energy: 1.7503400567092473
Energy: 1.7455086770507389
Energy: 1.6626659323050776
Energy: 1.6293081076726061
Energy: 1.7503400567092473
Energy: 1.7274599016510557
Energy: 1.6402153970332634
Energy: 1.7486366229469985
Energy: 1.644308111346784
Energy: 1.7274599016542789
Energy: 1.6402153970332634
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Energy: 1.741665695402918
Energy: 1.6877871387239012
Energy: 1.8398034768352332
Energy: 1.6898423991526492
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Energy: 1.8398034768320097
Energy: 1.6745368776537874
Energy: 1.6569100626386808
Energy: 1.8533819744366635
Energy: 1.6402985461840947
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Energy: 1.6569100626354574
Energy: 1.853381974439887
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Energy: 1.682814043968924
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Energy: 1.8752795585794488
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Energy: 1.6965134810666584
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Energy: 1.6597231277044633
Energy: 1.685370653899581
Energy: 1.9207672852527304
Energy: 1.636554378904257
Energy: 1.6597231277044633
Energy: 1.685370653899581
Energy: 1.920767285255954
Energy: 1.6633721348391988
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Energy: 1.6896964709850084
Energy: 1.6633721348424222
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Energy: 1.6251380900528485
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Energy: 1.684500809994831
Energy: 1.71311200197747
Energy: 1.625138090056072
Energy: 1.633118752394132
Energy: 1.684500809994831
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Energy: 1.6510283536036086
Energy: 1.81913575208291
Energy: 1.6433596932014796
Energy: 1.6198877029394836
Energy: 1.6510283535971617
Energy: 1.8191357520764628
Energy: 1.6224799683040358
Energy: 1.6552890060475967
Energy: 1.7825221411675167
Energy: 1.642845142863824
Energy: 1.6224799683040358
Energy: 1.6552890060411496
Energy: 1.7825221411739638
Energy: 1.663388851353904
Energy: 1.6658921015268768
Energy: 1.8359751309486907
Energy: 1.6699113071129417
Energy: 1.6633888513571273
Energy: 1.6658921015236534
Energy: 1.8359751309551378
Energy: 1.6836902667680775
Energy: 1.811498200940225
Energy: 1.8132425101998844
Energy: 1.7466988688762746
Energy: 1.683690266777748
Energy: 1.8114982009434488
Energy: 1.8132425101998844
Energy: 1.69004109506044
Energy: 1.6458430066489402
Energy: 1.7783593019376356
Energy: 1.6836672218203697
Energy: 1.69004109506044
Energy: 1.6458430066489402
Energy: 1.778359301934412
Energy: 1.6814186322380218
Energy: 1.6421116664762891
Energy: 1.8237035118037939
Energy: 1.6608284455760336
Energy: 1.681418632241245
Energy: 1.6421116664859599
Energy: 1.823703511810241
Energy: 1.7940813564174107
Energy: 1.670263064694328
Energy: 1.8287674488811612
Energy: 1.6953575383993318
Energy: 1.7940813564206344
Energy: 1.6702630646974927
Energy: 1.8287674488811612
Energy: 1.6808915887611275
Energy: 1.6898988646097308
Energy: 1.809031542325587
Energy: 1.698693126958139
Energy: 1.680891588764351
Energy: 1.6898988646097308
Energy: 1.8090315423223635
Energy: 1.619894261001214
Energy: 1.644605329268167
Energy: 1.8800354498935086
Energy: 1.6573154372465957
Energy: 1.619894261001214
Energy: 1.644605329268167
Energy: 1.880035449896732
Energy: 1.627092033644671
Energy: 1.7015255664138635
Energy: 1.8856052880011769
Energy: 1.7754690911457458
Energy: 1.627092033651118
Energy: 1.7015255664138635
Energy: 1.8856052880108476
Energy: 1.6047779692830977
Energy: 1.708355726967679
Energy: 1.695114492199507
Energy: 1.6275561553762743
Energy: 1.6047779692863215
Energy: 1.708355726961232
Energy: 1.6951144921898365

minimum gb energy = 1.6043790908166642 eV
minimum distance =  2.22209940936988 Angstroms
sigma value = 401


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

Energy: 1.6877478351831956
Energy: 1.665577271139116
Energy: 1.8755349265114438
Energy: 1.6657013244391856
Energy: 1.6877478351795363
Energy: 1.6655772711427745
Energy: 1.9159609268720408
Energy: 1.6263856953795843
Energy: 1.7561421975208564
Energy: 1.769411510908351
Energy: 1.6579571153484516
Energy: 1.6263856953795843
Energy: 1.7561421975245153
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Energy: 1.6173192092391853
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Energy: 1.675257965876034
Energy: 1.6663282075829595
Energy: 1.811735187076598
Energy: 1.6434200609396215
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Energy: 1.6663282075756416
Energy: 1.8117351870839158
Energy: 1.6888888307000511
Energy: 1.6529922603248706
Energy: 1.7299749039059813
Energy: 1.6456663527706508
Energy: 1.6888888307000511
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Energy: 1.729974903902322
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Energy: 1.7527623300002673
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Energy: 1.6186612904664455
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Energy: 1.7527623300002673
Energy: 1.6125078849596652
Energy: 1.687396561910698
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Energy: 1.646160514900773
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Energy: 1.6922525293908695
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Energy: 1.8253036085017669
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Energy: 1.6343647617613006
Energy: 1.665577271139116
Energy: 1.9061641345714078
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Energy: 1.7415660964566675
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Energy: 1.7485445721517274
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Energy: 1.6741968827032112
Energy: 1.672631637930678
Energy: 1.7703571427477018
Energy: 1.6333770225840711
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Energy: 1.7949180076591367
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Energy: 1.6380001094648047
Energy: 1.769032012478055
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Energy: 1.617470719318586
Energy: 1.6380001094684633
Energy: 1.783643141489452
Energy: 1.6204940232538214
Energy: 1.6477825952399603
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Energy: 1.6204940232574805
Energy: 1.6477825952363012
Energy: 1.8029286768213153
Energy: 1.6877478351831956
Energy: 1.6655772711427745
Energy: 1.8882077229945873
Energy: 1.6657013244391856
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Energy: 1.8882077229945873
Energy: 1.6263856953795843
Energy: 1.7561421975208564
Energy: 1.769411510908351
Energy: 1.6579571153447925
Energy: 1.6263856953759255
Energy: 1.7561421975208564
Energy: 1.769411510908351
Energy: 1.6173192092391853
Energy: 1.63460811383796
Energy: 1.808704343750393
Energy: 1.6340420667684836
Energy: 1.6173192092391853
Energy: 1.634608113834301
Energy: 1.808704343750393
Energy: 1.675257965876034
Energy: 1.6663282075793004
Energy: 1.811735187076598
Energy: 1.6434200609396215
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Energy: 1.6663282075756416
Energy: 1.8117351870839158
Energy: 1.6888888307000511
Energy: 1.6529922603248706
Energy: 1.8157914797932078
Energy: 1.6456663527706508
Energy: 1.688888830696392
Energy: 1.6529922603212117
Energy: 1.815791479800526
Energy: 1.6186612904664455
Energy: 1.639787163610274
Energy: 1.7527623300002673
Energy: 1.6625625821665537
Energy: 1.6186612904664455
Energy: 1.6397871636139336
Energy: 1.7527623300002673
Energy: 1.6125078849596652
Energy: 1.6873965619143572
Energy: 1.9141189804686956
Energy: 1.6556456839605298
Energy: 1.6125078849596652
Energy: 1.6873965619143572
Energy: 1.9915378124362448
Energy: 1.612007617341448
Energy: 1.646160514900773
Energy: 1.9530894272301111
Energy: 1.6922525293908695
Energy: 1.612007617341448
Energy: 1.646160514904432
Energy: 1.9530894272337707
Energy: 1.6238005580144248
Energy: 1.6469716018787135
Energy: 1.7195907731946891
Energy: 1.63487121226727
Energy: 1.6238005580144248
Energy: 1.6469716018787135
Energy: 1.7195907731946891
Energy: 1.6833162622203395
Energy: 1.684834640910901
Energy: 1.7280492892388049
Energy: 1.6347126192861092
Energy: 1.6833162622203395
Energy: 1.6848346409072414
Energy: 1.7485445721517274
Energy: 1.6741968827032112
Energy: 1.6763775009422532
Energy: 1.770357142751294
Energy: 1.6333770225840711
Energy: 1.6741968827032112
Energy: 1.676377500938594
Energy: 1.7703571427477018
Energy: 1.6133970420859465
Energy: 1.6380001094684633
Energy: 1.769032012474396
Energy: 1.669939936459476
Energy: 1.6133970420786283
Energy: 1.6380001094684633
Energy: 1.7840402077178583
Energy: 1.6250546932630112
Energy: 1.6477825952399603
Energy: 1.8199578378972716
Energy: 1.642849080341413
Energy: 1.6250546932593521
Energy: 1.6477825952363012
Energy: 1.851692451862445
Energy: 1.6343647617613006
Energy: 1.665577271139116
Energy: 1.8882077229945873
Energy: 1.6657013244391856
Energy: 1.6343647617613006
Energy: 1.6655772711427745
Energy: 1.8882077229945873
Energy: 1.6263856953759255
Energy: 1.7561421975208564
Energy: 1.769411510908351
Energy: 1.6544185440230983
Energy: 1.6263856953795843
Energy: 1.7561421975245153
Energy: 1.769411510908351

minimum gb energy = 1.612007617341448 eV
minimum distance =  2.23450661262611 Angstroms
sigma value = 311


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

Energy: 1.778449635139251
Energy: 1.658627566334922
Energy: 1.8087238403566892
Energy: 1.6614264618463868
Energy: 1.7784496351388286
Energy: 1.6586275663353445
Energy: 1.8253156401218493
Energy: 1.7239113107730502
Energy: 1.6461841243016395
Energy: 1.747049620296297
Energy: 1.6597650431733566
Energy: 1.7239113107713602
Energy: 1.6461841243024846
Energy: 1.747049620295452
Energy: 1.677070488495289
Energy: 1.713529217204694
Energy: 1.8813127505198
Energy: 1.690808488744561
Energy: 1.6770704884957115
Energy: 1.7135292172072287
Energy: 1.84988574961218
Energy: 1.68149941204736
Energy: 1.6584293872349813
Energy: 1.8397537508402044
Energy: 1.710913856531904
Energy: 1.68149941204736
Energy: 1.6584293872337137
Energy: 1.8397537508406272
Energy: 1.6893996334394092
Energy: 1.6800772315430874
Energy: 1.834169030802861
Energy: 1.6983441517514517
Energy: 1.6893996334394092
Energy: 1.6800772315413972
Energy: 1.8341690308045513
Energy: 1.714420564266681
Energy: 1.6363251675537682
Energy: 1.6967998589628173
Energy: 1.636808581858481
Energy: 1.7144205642696384
Energy: 1.6363251675550357
Energy: 1.6967998589640847
Energy: 1.7016087299359424
Energy: 1.776183473789198
Energy: 1.8360054796301266
Energy: 1.700159901098736
Energy: 1.701608729936365
Energy: 1.776183473789198
Energy: 1.8360054796292817
Energy: 1.7039623521207479
Energy: 1.6733969525158554
Energy: 1.747610370733378
Energy: 1.7074543485971843
Energy: 1.7039623521194804
Energy: 1.673396952515433
Energy: 1.7476103707363355
Energy: 1.688872917236391
Energy: 1.6446376457949967
Energy: 1.8135479020900753
Energy: 1.6500872383371643
Energy: 1.6888729172359684
Energy: 1.6446376457945742
Energy: 1.8431342225506817
Energy: 1.693480512107258
Energy: 1.7160809933660413
Energy: 1.8652174368732897
Energy: 1.7246465385018246
Energy: 1.693480512107258
Energy: 1.7160809933656187
Energy: 1.8652174368724446
Energy: 1.76596975292569
Energy: 1.7230123619116915
Energy: 1.8352089671763554
Energy: 1.651768200852307
Energy: 1.7659697529252671
Energy: 1.7230123619125366
Energy: 1.8352089671763554
Energy: 1.7145687894155404
Energy: 1.7252114542917156
Energy: 1.7830733318884109
Energy: 1.7022309827292088
Energy: 1.7145687894146955
Energy: 1.7252114542917156
Energy: 1.7830733318901009
Energy: 1.673769153452296
Energy: 1.6394633694711471
Energy: 1.8054884791564343
Energy: 1.7014395543125216
Energy: 1.6737691534531407
Energy: 1.6394633694719918
Energy: 1.8054884791568568
Energy: 1.6786105168627226
Energy: 1.7201379677650026
Energy: 1.740834125859393
Energy: 1.71279967812867
Energy: 1.6786105168652576
Energy: 1.7201379677650026
Energy: 1.740834125860238
Energy: 1.7347037435084292
Energy: 1.6610042764419655
Energy: 1.7694083536373313
Energy: 1.6658496700577514
Energy: 1.734703743507584
Energy: 1.661004276443233
Energy: 1.7694083536377538
Energy: 1.7390761880784096
Energy: 1.717201217023849
Energy: 1.771409825373382
Energy: 1.7177814191575251
Energy: 1.7390761880784096
Energy: 1.717201217024694
Energy: 1.771409825373382
Energy: 1.7542814233668522
Energy: 1.6334611547918805
Energy: 1.7847180418955078
Energy: 1.6894554328755458
Energy: 1.7542814233664294
Energy: 1.6334611547948383
Energy: 1.7847180418971977
Energy: 1.66868626481011
Energy: 1.7601159988353299
Energy: 1.703800105950248
Energy: 1.7159893431362456
Energy: 1.66868626481011
Energy: 1.7601159988370196
Energy: 1.7038001059506702
Energy: 1.6713720946604151
Energy: 1.6704702327110872
Energy: 1.8586181070522194
Energy: 1.7026369524546179
Energy: 1.6713720946595703
Energy: 1.6704702327123544
Energy: 1.8586181070539094
Energy: 1.7028671262520416
Energy: 1.6732439491021018
Energy: 1.7658948865941324
Energy: 1.705494347627416
Energy: 1.7028671262520416
Energy: 1.673243949104176
Energy: 1.7658948865958224
Energy: 1.6984124504562532
Energy: 1.7002678932458983
Energy: 1.8449039407749528
Energy: 1.7348754802102655
Energy: 1.6984124504579432
Energy: 1.7002678932471658
Energy: 1.844903940775798
Energy: 1.7153766052967694
Energy: 1.724900635311894
Energy: 1.8736148702564572
Energy: 1.6544970026686918
Energy: 1.715376605297192
Energy: 1.7249006353106269
Energy: 1.8736148702573026
Energy: 1.731666033140027
Energy: 1.6905063713311053
Energy: 1.7704390416904217
Energy: 1.6799168307558523
Energy: 1.731666033140872
Energy: 1.6905063713311053
Energy: 1.7704390416891544
Energy: 1.6886943404766848
Energy: 1.6664320879715995
Energy: 1.8019136199821397
Energy: 1.6606575469639806
Energy: 1.6886943404766848
Energy: 1.666432087971177
Energy: 1.8019136199808719
Energy: 1.7026116426965565
Energy: 1.6959682875810078
Energy: 1.7928891897115056
Energy: 1.6716525379128717
Energy: 1.7026116426965565
Energy: 1.6959682875839652
Energy: 1.792889189710661
Energy: 1.7846201652029725
Energy: 1.7279358620973446
Energy: 1.689454042505413
Energy: 1.761302342535127
Energy: 1.7846201652012823
Energy: 1.7279358620981897
Energy: 1.689454042507103
Energy: 1.779787652075173
Energy: 1.6598382469704247
Energy: 1.828469613326255
Energy: 1.656007174553252
Energy: 1.7797876520747504
Energy: 1.6598382469700026
Energy: 1.8284696133266776
Energy: 1.7433778414150518
Energy: 1.646238414099445
Energy: 1.7412632084778357
Energy: 1.7081421335914782
Energy: 1.7433778414142067
Energy: 1.6462384140981776
Energy: 1.7412632084778357
Energy: 1.6766501049721398
Energy: 1.7137264526393479
Energy: 1.8813147377064778
Energy: 1.699272803648917
Energy: 1.6766501049725622
Energy: 1.7137264526393479
Energy: 1.8813147377064778
Energy: 1.6812816474520278
Energy: 1.660006062137498
Energy: 1.9043720163268467
Energy: 1.7115762016445677
Energy: 1.6812816474516052
Energy: 1.6600060621383428
Energy: 1.9043720163264242
Energy: 1.69111501047342
Energy: 1.6802191191051303
Energy: 1.8479788533229817
Energy: 1.6984313031908334
Energy: 1.6911150104721526
Energy: 1.6802191191047078
Energy: 1.8479788533212917
Energy: 1.7112342223444739
Energy: 1.6593859333730114
Energy: 1.773909270408134
Energy: 1.636714341844289
Energy: 1.711234222345319
Energy: 1.6593859333742786
Energy: 1.7739092704077115
Energy: 1.7015391008773637
Energy: 1.7786040863445107
Energy: 1.8351864623677236
Energy: 1.695585227964042
Energy: 1.701539100877786
Energy: 1.7786040863449328
Energy: 1.8351864623677236
Energy: 1.7040312995589613
Energy: 1.6735389447894937
Energy: 1.7476724103378822
Energy: 1.6994645633032726
Energy: 1.7040312995602287
Energy: 1.6735389447894937
Energy: 1.7476724103374601
Energy: 1.6877332511072753
Energy: 1.637349729064253
Energy: 1.8030634456373427
Energy: 1.6645836019491833
Energy: 1.6877332511055854
Energy: 1.6373497290655203
Energy: 1.8030634456369203
Energy: 1.6903945043890638
Energy: 1.7161379317360919
Energy: 1.801871964057715
Energy: 1.7346712644641358
Energy: 1.690394504389909
Energy: 1.7161379317352468
Energy: 1.8018719640594052

minimum gb energy = 1.6334611547918805 eV
minimum distance =  2.2443862085973 Angstroms
sigma value = 39


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

Energy: 1.6511456635762554
Energy: 1.679391305017725
Energy: 1.824659764717318
Energy: 1.6795357901492538
Energy: 1.6511456635752584
Energy: 1.6793913050167275
Energy: 1.7801258952788113
Energy: 1.630757864385141
Energy: 1.6554953204345797
Energy: 1.735030736430238
Energy: 1.6553409059543551
Energy: 1.6307578643901277
Energy: 1.6554953204305902
Energy: 1.7350307364247533
Energy: 1.6513003913561326
Energy: 1.5770451298434323
Energy: 1.6554236773065365
Energy: 1.6049480629340354
Energy: 1.6513003913511464
Energy: 1.5770451298399417
Energy: 1.6805390216092346
Energy: 1.6319992666667136
Energy: 1.6554555383261063
Energy: 1.7353995349986004
Energy: 1.7278015872026
Energy: 1.6319992666662149
Energy: 1.6554555383246106
Energy: 1.735399534997603
Energy: 1.7005312124542902
Energy: 1.6011050984456594
Energy: 1.6026870968577271
Energy: 1.6049012989913702
Energy: 1.7005312124537917
Energy: 1.6011050984416704
Energy: 1.6026870968577271
Energy: 1.647458923084468
Energy: 1.6546911420523467
Energy: 1.6619568527993012
Energy: 1.7233818483142265
Energy: 1.64745892308746
Energy: 1.6546911420513493
Energy: 1.661956852797805
Energy: 1.8424511805715516
Energy: 1.6022669445144784
Energy: 1.6258685297632103
Energy: 1.6023889971431167
Energy: 1.8424511805715516
Energy: 1.6022669445169717
Energy: 1.6258685297622129
Energy: 1.6316519070310225
Energy: 1.6485653550291177
Energy: 1.7277080457115337
Energy: 1.6484888436713536
Energy: 1.6316519070295268
Energy: 1.6485653550331065
Energy: 1.7277080457105367
Energy: 1.8424812435955251
Energy: 1.6021913278796354
Energy: 1.7564439006745385
Energy: 1.6018374241267748
Energy: 1.842481243597021
Energy: 1.602191327885619
Energy: 1.7284574038485003
Energy: 1.647254572524327
Energy: 1.7231910421496193
Energy: 1.6621099783150168
Energy: 1.6546751826189716
Energy: 1.6472545725208365
Energy: 1.72319104214563
Energy: 1.6621099783190059
Energy: 1.7005484938492332
Energy: 1.6049638540415103
Energy: 1.8789202816285442
Energy: 1.600989106899605
Energy: 1.7005484938477375
Energy: 1.6049638540385185
Energy: 1.6924184223046235
Energy: 1.632157994540062
Energy: 1.7280789076373881
Energy: 1.7356349514733667
Energy: 1.655164834736629
Energy: 1.632157994540062
Energy: 1.7280789076343963
Energy: 1.735634951474364
Energy: 1.6513742055642002
Energy: 1.6047377336212896
Energy: 1.6523132647641507
Energy: 1.5769867599073188
Energy: 1.6513742055651972
Energy: 1.6047377336237825
Energy: 1.652313264762156
Energy: 1.6307703229294408
Energy: 1.6552681748267373
Energy: 1.7351465984376648
Energy: 1.655469192144368
Energy: 1.6307703229284434
Energy: 1.6552681748252414
Energy: 1.7351465984351717
Energy: 1.6511456635757567
Energy: 1.679391305017725
Energy: 1.7302863356722287
Energy: 1.679535790147758
Energy: 1.6511456635747597
Energy: 1.6793913050162288
Energy: 1.73028633567173
Energy: 1.6307578643861385
Energy: 1.6554953204350782
Energy: 1.7350307364297397
Energy: 1.655340905951862
Energy: 1.630757864389629
Energy: 1.6554953204315876
Energy: 1.7350307364252517
Energy: 1.651300391354637
Energy: 1.5770451298429335
Energy: 1.6618354616374438
Energy: 1.6049480629355315
Energy: 1.6513003913506479
Energy: 1.5770451298404404
Energy: 1.6618354616419315
Energy: 1.6319992666672123
Energy: 1.655455538326605
Energy: 1.7353995349981017
Energy: 1.7278015872021013
Energy: 1.6319992666662149
Energy: 1.6554555383256078
Energy: 1.7353995349986004
Energy: 1.7005312124537917
Energy: 1.6011050984451607
Energy: 1.6047369286528437
Energy: 1.604901298991869
Energy: 1.7005312124537917
Energy: 1.6011050984426674
Energy: 1.6026870968582259
Energy: 1.6474589230849668
Energy: 1.654691142051848
Energy: 1.6619568528007969
Energy: 1.7233818483147252
Energy: 1.6474589230879586
Energy: 1.6546911420508503
Energy: 1.661956852796808
Energy: 1.8424511805715516
Energy: 1.6022669445134814
Energy: 1.6114976885040717
Energy: 1.6023889971431167
Energy: 1.8424511805720503
Energy: 1.6022669445159745
Energy: 1.6225935243457865
Energy: 1.6316519070310225
Energy: 1.648565355029616
Energy: 1.7277080457115337
Energy: 1.6484888436713536
Energy: 1.6316519070295268
Energy: 1.648565355032608
Energy: 1.727708045710038
Energy: 1.8424812435955251
Energy: 1.6021913278791367
Energy: 1.682974508319825
Energy: 1.6018374241267748
Energy: 1.842481243597021
Energy: 1.6021913278851203
Energy: 1.7377418378765839
Energy: 1.6472545725233296
Energy: 1.7231910421496193
Energy: 1.6621099783165127
Energy: 1.6546751826194703
Energy: 1.6472545725213352
Energy: 1.7231910421466274
Energy: 1.6621099783175102
Energy: 1.7005484938487345
Energy: 1.6049638540425073
Energy: 1.9263931185879737
Energy: 1.6009891068991062
Energy: 1.7005484938477375
Energy: 1.6049638540385185
Energy: 1.9263931185879737
Energy: 1.6321579945410591
Energy: 1.7280789076378869
Energy: 1.7356349514733667
Energy: 1.6551648347376264
Energy: 1.632157994540062
Energy: 1.7280789076358924
Energy: 1.7356349514738654
Energy: 1.6513742055637015
Energy: 1.6047377336212896
Energy: 1.652313264762156
Energy: 1.5769867599063214
Energy: 1.6513742055651972
Energy: 1.6047377336232842
Energy: 1.6523132647636518
Energy: 1.6307703229299393
Energy: 1.6552681748237457
Energy: 1.7351465984376648
Energy: 1.6554691921448668
Energy: 1.6307703229284434
Energy: 1.6552681748252414
Energy: 1.7351465984351717
Energy: 1.6511456635762554
Energy: 1.6793913050182232
Energy: 1.730286335674223
Energy: 1.6795357901482564
Energy: 1.6511456635752584
Energy: 1.6793913050162288
Energy: 1.7302863356767166
Energy: 1.630757864385141
Energy: 1.6554953204350782
Energy: 1.735030736430238
Energy: 1.655340905951862
Energy: 1.6307578643901277
Energy: 1.6554953204305902
Energy: 1.7350307364242545

minimum gb energy = 1.5769867599063214 eV
minimum distance =  2.28150382361004 Angstroms
sigma value = 21


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

Energy: 1.684259778019174
Energy: 1.8038905885626462
Energy: 1.7338849285787878
Energy: 1.8038999827489055
Energy: 1.684259778019174
Energy: 1.803890588562041
Energy: 1.7746478555443874
Energy: 1.6860487060900045
Energy: 1.6554363545304143
Energy: 1.7540963700860963
Energy: 1.6550234981976195
Energy: 1.68604870609061
Energy: 1.6554363545298088
Energy: 1.7540963700836747
Energy: 1.684838222477626
Energy: 1.7301622681460704
Energy: 1.7594748238953588
Energy: 1.6686643906384202
Energy: 1.684838222477626
Energy: 1.7301622681454651
Energy: 1.7594748238959643
Energy: 1.6476628041101715
Energy: 1.6647434334971152
Energy: 1.7890048869149613
Energy: 1.6341786504794062
Energy: 1.6476628041107768
Energy: 1.6647434334983258
Energy: 1.789004886918593
Energy: 1.6185045161257832
Energy: 1.578982451404337
Energy: 1.6295406160311117
Energy: 1.6584587969051536
Energy: 1.6185045161257832
Energy: 1.5789824514049424
Energy: 1.6295406160311117
Energy: 1.6475065133178088
Energy: 1.5984377005764554
Energy: 1.7001914198772807
Energy: 1.6608597719861657
Energy: 1.647506513316598
Energy: 1.598437700575245
Energy: 1.700191419877886
Energy: 1.736310853529383
Energy: 1.5796752918595758
Energy: 1.6352103018502704
Energy: 1.6575549297735128
Energy: 1.7363108535299883
Energy: 1.5796752918595758
Energy: 1.6352103018490594
Energy: 1.6742670562147848
Energy: 1.7132215062418394
Energy: 1.8017615799028588
Energy: 1.66064428898672
Energy: 1.6742670562141793
Energy: 1.713221506242445
Energy: 1.801761579901648
Energy: 1.721458086218111
Energy: 1.6626952144338267
Energy: 1.7073436908986284
Energy: 1.7846732613541045
Energy: 1.7214580862217428
Energy: 1.6626952144344318
Energy: 1.7073436908992337
Energy: 1.6560794186736567
Energy: 1.6624723567025346
Energy: 1.6245617562879855
Energy: 1.7406702844331379
Energy: 1.6560794186736567
Energy: 1.6624723567025346
Energy: 1.6245617562879855
Energy: 1.7724566142543607
Energy: 1.7894807528478849
Energy: 1.67741518277919
Energy: 1.6671508327599316
Energy: 1.7724566142537552
Energy: 1.7894807528478849
Energy: 1.6774151827779795
Energy: 1.5651083248343698
Energy: 1.69141064906156
Energy: 1.636861616702039
Energy: 1.6342913448903278
Energy: 1.5651083248373965
Energy: 1.6914106490621652
Energy: 1.6368616167032497
Energy: 1.773841380450238
Energy: 1.647395053892017
Energy: 1.664375629603954
Energy: 1.6692218653794775
Energy: 1.773841380450238
Energy: 1.6473950538914115
Energy: 1.638031828725184
Energy: 1.565157405056924
Energy: 1.6912209347780964
Energy: 1.6797727892497034
Energy: 1.6996182309678367
Energy: 1.565157405057529
Energy: 1.6912209347756748
Energy: 1.6797727892490981
Energy: 1.7525779542240074
Energy: 1.5923629932864232
Energy: 1.6257302456600151
Energy: 1.6333846185441496
Energy: 1.752577954225218
Energy: 1.5923629932864232
Energy: 1.6257302456594096
Energy: 1.556980863168254
Energy: 1.7320497764571883
Energy: 1.614276713464932
Energy: 1.6256831937562337
Energy: 1.5569808631676485
Energy: 1.7320497764559772
Energy: 1.6142767134661427
Energy: 1.7532772317244485
Energy: 1.5925581744664317
Energy: 1.6164090612740079
Energy: 1.633118688172087
Energy: 1.7532772317238432
Energy: 1.592558174467037
Energy: 1.6164090612746131
Energy: 1.5569744656959736
Energy: 1.666361355393688
Energy: 1.6192773265268838
Energy: 1.7215654644396507
Energy: 1.556974465697184
Energy: 1.6663613553948988
Energy: 1.619277326525673
Energy: 1.6838191360540278
Energy: 1.6379161439881789
Energy: 1.6920237717256652
Energy: 1.6334176366367739
Energy: 1.6838191360540278
Energy: 1.6379161439881789
Energy: 1.6920237717244546
Energy: 1.5566584407952462
Energy: 1.7154067783592273
Energy: 1.5999314570582965
Energy: 1.7154397688034873
Energy: 1.5566584407934303
Energy: 1.7154067783568063
Energy: 1.599931457057086
Energy: 1.683801688410956
Energy: 1.633442939253786
Energy: 1.6945499520365888
Energy: 1.5914541805286073
Energy: 1.683801688410956
Energy: 1.6334429392556016
Energy: 1.6945499520365888
Energy: 1.5569393802441531
Energy: 1.721587855288646
Energy: 1.6193651935225422
Energy: 1.6661611839333226
Energy: 1.5569393802441531
Energy: 1.72158785528683
Energy: 1.6193651935225422
Energy: 1.7534005684495175
Energy: 1.6333216814198297
Energy: 1.616422229682495
Energy: 1.592502589628332
Energy: 1.7534005684483067
Energy: 1.63332168142104
Energy: 1.6164222296818898
Energy: 1.557051356709957
Energy: 1.6255626855879883
Energy: 1.6143006795280446
Energy: 1.7318790576869472
Energy: 1.5570513567075357
Energy: 1.6255626855898042
Energy: 1.6143006795292552
Energy: 1.752543030642125
Energy: 1.6333414851482404
Energy: 1.6515749962302049
Energy: 1.5923649276250784
Energy: 1.752543030640914
Energy: 1.633341485148846
Energy: 1.6515749962295996

minimum gb energy = 1.5566584407934303 eV
minimum distance =  2.25647096885006 Angstroms
sigma value = 113


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

Energy: 1.681920124077686
Energy: 1.7880971755090325
Energy: 1.7257070404288428
Energy: 1.7884762625979547
Energy: 1.6819201240743076
Energy: 1.7880971755056543
Energy: 1.7257070404322212
Energy: 1.7911426956423355
Energy: 1.714116465932864
Energy: 1.7662856592344525
Energy: 1.7013682675832655
Energy: 1.7911426956423355
Energy: 1.7141164659362425
Energy: 1.766285659231074
Energy: 1.6751081204734648
Energy: 1.7152277888679741
Energy: 1.7858469156666312
Energy: 1.7206653608007119
Energy: 1.6751081204734648
Energy: 1.7152277888713525
Energy: 1.7858469156666312
Energy: 1.6239381897666234
Energy: 1.7613409697848876
Energy: 1.8680907732720902
Energy: 1.7067633906843884
Energy: 1.6239381897666234
Energy: 1.7613409697848876
Energy: 1.8680907732720902
Energy: 1.7442892713310616
Energy: 1.6338386270852514
Energy: 1.6718898951800492
Energy: 1.6365587945810216
Energy: 1.744289271324305
Energy: 1.633838627081873
Energy: 1.6718898951800492
Energy: 1.6268989048300253
Energy: 1.718256719201807
Energy: 1.7821882441948027
Energy: 1.6334829847353496
Energy: 1.626898904826647
Energy: 1.718256719208502
Energy: 1.7821882442015595
Energy: 1.6196980497395972
Energy: 1.633721773163161
Energy: 1.6639762973920247
Energy: 1.6398482866726392
Energy: 1.6196980497395972
Energy: 1.6337217731597828
Energy: 1.663976297395403
Energy: 1.6266337817359589
Energy: 1.7327452794902423
Energy: 1.7829645617292469
Energy: 1.6230661446024823
Energy: 1.6266337817359589
Energy: 1.7327452795003773
Energy: 1.7829645617258685
Energy: 1.6209992713987402
Energy: 1.6700627119133866
Energy: 1.736251223479309
Energy: 1.6733964889055144
Energy: 1.6209992713987402
Energy: 1.6700627119032514
Energy: 1.736251223479309
Energy: 1.6465691678869758
Energy: 1.7305782237318634
Energy: 1.7311668016847852
Energy: 1.660033754143913
Energy: 1.6465691678937324
Energy: 1.7305782237352418
Energy: 1.7311668016915418
Energy: 1.621696543408142
Energy: 1.7033725610870232
Energy: 1.7899155083673115
Energy: 1.6254163743557049
Energy: 1.621696543418277
Energy: 1.7033725610870232
Energy: 1.8273732296812062
Energy: 1.6462485227944865
Energy: 1.6851227142653176
Energy: 1.8425043083395025
Energy: 1.6776141958298885
Energy: 1.64624852278773
Energy: 1.6851227142653176
Energy: 1.842504308336124
Energy: 1.7542575811865213
Energy: 1.6951426694250007
Energy: 1.7786660597753787
Energy: 1.706921356503926
Energy: 1.7542575811831431
Energy: 1.6951426694216223
Energy: 1.8163636236680512
Energy: 1.7013918924177032
Energy: 1.7941069168646475
Energy: 1.9016989600544354
Energy: 1.736126149185134
Energy: 1.7013918924177032
Energy: 1.7941069168646475
Energy: 1.9016989600544354
Energy: 1.7548109292225211
Energy: 1.7295066681959024
Energy: 1.8897799745057369
Energy: 1.7589663841535987
Energy: 1.7548109292225211
Energy: 1.729506668202659
Energy: 1.8897799745057369
Energy: 1.7021044651954174
Energy: 1.6852417042086598
Energy: 1.7453558951283137
Energy: 1.6778628803151499
Energy: 1.7021044652021742
Energy: 1.6852417042120382
Energy: 1.745355895121557
Energy: 1.7752383159861735
Energy: 1.701284868823778
Energy: 1.8884207390620322
Energy: 1.7067362829935633
Energy: 1.7752383159861735
Energy: 1.7012848688203996
Energy: 1.8884207390620322
Energy: 1.6455432927663214
Energy: 1.6873678227496949
Energy: 1.76819509321165
Energy: 1.6757441204477426
Energy: 1.6455432927697
Energy: 1.6873678227496949
Energy: 1.7681950932082715
Energy: 1.7756734077709653
Energy: 1.7081767872448665
Energy: 1.8185835953389806
Energy: 1.7316952620921484
Energy: 1.7756734077675869
Energy: 1.7081767872414884
Energy: 1.818583595342359
Energy: 1.5925918388580362
Energy: 1.7194619617401319
Energy: 1.7802954329379523
Energy: 1.6326138889906137
Energy: 1.5925918388580362
Energy: 1.719461961733375
Energy: 1.7802954329345742
Energy: 1.631299035862885
Energy: 1.633764832825756
Energy: 1.773685380224272
Energy: 1.6475457242748481
Energy: 1.631299035862885
Energy: 1.6337648328325127
Energy: 1.773685380224272
Energy: 1.5930640343526785
Energy: 1.6655221603454171
Energy: 1.7082011005700055
Energy: 1.6278336999888456
Energy: 1.5930640343459217
Energy: 1.6655221603420387
Energy: 1.7082011005700055
Energy: 1.6306827807872246
Energy: 1.6096057233676815
Energy: 1.75373992984634
Energy: 1.778861889979003
Energy: 1.6306827807906028
Energy: 1.6096057233744383
Energy: 1.7537399298395833
Energy: 1.6636669987645416
Energy: 1.6623072929173985
Energy: 1.685578513502487
Energy: 1.628465797986379
Energy: 1.6636669987645416
Energy: 1.6623072929173985
Energy: 1.6855785135092436
Energy: 1.6174284990434822
Energy: 1.7094330118927719
Energy: 1.7386248408724216
Energy: 1.8541446754960595
Energy: 1.6174284990536172
Energy: 1.7094330118961503
Energy: 1.7386248408690435
Energy: 1.6482403683287061
Energy: 1.7442188720206455
Energy: 1.7659753546167494
Energy: 1.7068827947040845
Energy: 1.6482403683253277
Energy: 1.744218872024024
Energy: 1.765975354613371
Energy: 1.7105072888250186
Energy: 1.697887577619274
Energy: 1.6580589270736117
Energy: 1.8011060884482235
Energy: 1.7105072888216402
Energy: 1.6978875776226523
Energy: 1.6580589270736117
Energy: 1.6470881042703243
Energy: 1.840922768396467
Energy: 1.7627146670145497
Energy: 1.7494643388782964
Energy: 1.6470881042703243
Energy: 1.8409227684032237
Energy: 1.7627146670145497
Energy: 1.7090367197518734
Energy: 1.6892159905483564
Energy: 1.7524240550823205
Energy: 1.8001200207953285
Energy: 1.7090367197552516
Energy: 1.689215990544978
Energy: 1.7524240550823205
Energy: 1.6559082154655522
Energy: 1.7391264908622217
Energy: 1.7555462736999712
Energy: 1.789739383146703
Energy: 1.6559082154689304
Energy: 1.7391264908656
Energy: 1.7555462736965928
Energy: 1.6218434139453206
Energy: 1.6884180536527158
Energy: 1.8002374348528438
Energy: 1.792803583386093
Energy: 1.6218434139453206
Energy: 1.6884180536594724
Energy: 1.800237434856222
Energy: 1.6582523747682645
Energy: 1.6282414111847312
Energy: 1.6931191437886366
Energy: 1.6999040694025405
Energy: 1.658252374771643
Energy: 1.6282414111914878
Energy: 1.6931191437818802
Energy: 1.6214883181367223
Energy: 1.643816347903067
Energy: 1.8115419454213144
Energy: 1.7182953818940525
Energy: 1.6214883181367223
Energy: 1.6438163479098236
Energy: 1.8115419454213144
Energy: 1.6367038065199941
Energy: 1.6414973871628968
Energy: 1.6831417001338569
Energy: 1.6159517239132553
Energy: 1.6367038065233726
Energy: 1.6414973871628968
Energy: 1.6831417001338569
Energy: 1.6207721407749964
Energy: 1.6115330821212224
Energy: 1.7899753232445021
Energy: 1.708213495840441
Energy: 1.6207721407749964
Energy: 1.6115330821246006
Energy: 1.7899753232546372
Energy: 1.6227341456349713
Energy: 1.6398205413882025
Energy: 1.6481939121558644
Energy: 1.6210307591620718
Energy: 1.6227341456282143
Energy: 1.6398205413915807
Energy: 1.648193912152486
Energy: 1.620372176734819
Energy: 1.611765854089877
Energy: 1.7593462203511208
Energy: 1.7127859778702954
Energy: 1.6203721767381973
Energy: 1.611765854089877
Energy: 1.7593462203477421
Energy: 1.6139470991345324
Energy: 1.6215326841222342
Energy: 1.734239839906856
Energy: 1.6213800168183083
Energy: 1.6139470991345324
Energy: 1.6215326841256126
Energy: 1.7342398399000993
Energy: 1.6203790322653344
Energy: 1.6845529494540668
Energy: 1.904074896278079
Energy: 1.7310968449423338
Energy: 1.6203790322687128
Energy: 1.6845529494608236
Energy: 1.9040748962747005
Energy: 1.6662558705342958
Energy: 1.7013909541006724
Energy: 1.7433644598309812
Energy: 1.6966463034057717
Energy: 1.6662558705275392
Energy: 1.7013909541040508
Energy: 1.7433644598343596
Energy: 1.7631100455310407
Energy: 1.6807316478154193
Energy: 1.9045699975368413
Energy: 1.7409502695659353
Energy: 1.763110045534419
Energy: 1.680731647812041
Energy: 1.9045699975368413
Energy: 1.6661586891583093
Energy: 1.6820309601053725
Energy: 1.850838679829491
Energy: 1.776093996028597
Energy: 1.6661586891583093
Energy: 1.6820309601087509
Energy: 1.8508386798261127
Energy: 1.7160218786563497
Energy: 1.6806448555489177
Energy: 1.8142034357813703
Energy: 1.7454884777232804
Energy: 1.7160218786597279
Energy: 1.6806448555522346
Energy: 1.8142034357746137
Energy: 1.7140459672606831
Energy: 1.7048107960552026
Energy: 1.8776168960196196
Energy: 1.6013647843835568
Energy: 1.7140459672606831
Energy: 1.704810796058581
Energy: 1.8776168960094843
Energy: 1.5990020515415038
Energy: 1.681591959389959
Energy: 1.8145597861277813
Energy: 1.7342906509349536
Energy: 1.5990020515415038
Energy: 1.6815919593933375
Energy: 1.8145597861311598

minimum gb energy = 1.5925918388580362 eV
minimum distance =  2.19808061064293 Angstroms
sigma value = 365


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

Energy: 1.7268365119132403
Energy: 1.3400406158579454
Energy: 1.750984470094504
Energy: 1.3400406158579454
Energy: 1.7268365119132403
Energy: 1.340040615858707
Energy: 1.6858627597629612
Energy: 1.7268365119109552
Energy: 1.3400406158579454
Energy: 1.4370425901832584
Energy: 1.3400406158594684
Energy: 1.7268365119132403
Energy: 1.3400406158609919
Energy: 1.312745211147068
Energy: 1.7268365119140021
Energy: 1.3400406158602303
Energy: 1.799013415930668
Energy: 1.3400406158594684
Energy: 1.7268365119124789
Energy: 1.3400406158594684
Energy: 1.3127451568168784
Energy: 1.7268365119132403
Energy: 1.3400406158579454
Energy: 1.6483747962495519
Energy: 1.3400406158571836
Energy: 1.7268365119124789
Energy: 1.3400406158571836
Energy: 1.7516240050565992
Energy: 1.726836511911717
Energy: 1.3400406158579454
Energy: 1.6486775132931868
Energy: 1.340040615858707
Energy: 1.726836511914764
Energy: 1.3400406158594684
Energy: 1.4992655376597974
Energy: 1.7268365119140021
Energy: 1.340040615858707
Energy: 1.668287806839033
Energy: 1.340040615858707
Energy: 1.7268365119124789
Energy: 1.3400406158571836
Energy: 1.4015356152311336
Energy: 1.7268365119140021
Energy: 1.3400406158579454
Energy: 1.7516240048304461
Energy: 1.3400406158564218
Energy: 1.7268365119140021
Energy: 1.340040615858707
Energy: 1.6854163749236168
Energy: 1.7268365119109552
Energy: 1.340040615858707
Energy: 1.3127456725912698
Energy: 1.3400406158594684
Energy: 1.7268365119132403
Energy: 1.340040615858707
Energy: 1.3127456790209173
Energy: 1.726836511914764
Energy: 1.3400406158594684
Energy: 1.3174747734405101
Energy: 1.3400406158594684
Energy: 1.7268365119124789
Energy: 1.3400406158594684
Energy: 1.312745715641255
Energy: 1.7268365119132403
Energy: 1.3400406158579454
Energy: 1.6858627580019645
Energy: 1.3400406158579454
Energy: 1.7268365119124789
Energy: 1.3400406158579454
Energy: 1.6858627579669614
Energy: 1.7268365119124789
Energy: 1.340040615858707
Energy: 1.3798648248660776
Energy: 1.3400406158594684
Energy: 1.7268365119140021
Energy: 1.3400406158594684
Energy: 1.3127458241653605
Energy: 1.7268365119140021
Energy: 1.3400406158594684
Energy: 1.317483226261708
Energy: 1.3400406158579454
Energy: 1.7268365119124789
Energy: 1.340040615858707
Energy: 1.31746987970428
Energy: 1.7268365119132403
Energy: 1.3400406158579454
Energy: 1.3174643786545857
Energy: 1.3400406158579454
Energy: 1.7268365119132403
Energy: 1.340040615858707
Energy: 1.3174648504090467
Energy: 1.7268365119109552
Energy: 1.340040615858707
Energy: 1.3174771834686088
Energy: 1.3400406158609919
Energy: 1.7268365119140021
Energy: 1.340040615858707
Energy: 1.3174580256304722
Energy: 1.7268365119140021
Energy: 1.3400406158594684
Energy: 1.317482529619393
Energy: 1.3400406158594684
Energy: 1.7268365119124789
Energy: 1.3400406158594684
Energy: 1.3174848019940444
Energy: 1.7268365119132403
Energy: 1.3400406158594684
Energy: 1.3174851949293729
Energy: 1.3400406158571836
Energy: 1.7268365119124789
Energy: 1.3400406158579454
Energy: 1.317480091752397
Energy: 1.7268365119124789
Energy: 1.3400406158594684
Energy: 1.3174818422671206
Energy: 1.340040615858707
Energy: 1.7268365119140021
Energy: 1.3400406158594684
Energy: 1.317457602468654
Energy: 1.7268365119132403
Energy: 1.3400406158602303
Energy: 1.3174693531567285
Energy: 1.3400406158594684
Energy: 1.726836511911717
Energy: 1.3400406158594684
Energy: 1.3174591928928119
Energy: 1.7268365119132403
Energy: 1.3400406158579454
Energy: 1.3174599199976367
Energy: 1.3400406158579454
Energy: 1.7268365119132403
Energy: 1.3400406158579454
Energy: 1.3174826221017861
Energy: 1.7268365119109552
Energy: 1.3400406158579454
Energy: 1.3174822437920468
Energy: 1.3400406158594684
Energy: 1.7268365119132403
Energy: 1.3400406158594684
Energy: 1.3174637799748627

minimum gb energy = 1.3127451568168784 eV
minimum distance =  2.37475057518323 Angstroms
sigma value = 23