Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.2424328714365185
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.27478640671954e-19, 3.00839104389546e-19, 3.5595558277577994e-19, 4.00787689348368e-19, 4.3864872538642205e-19, 4.71302687363976e-19, 5.017840978258259e-19, 5.2715776917848395e-19, 5.495065310461499e-19, 5.6932545600873e-19, 5.86907742390246e-19, 6.024889101558959e-19, 6.162548117952239e-19, 6.283608584417279e-19, 6.38938428579396e-19, 6.48099674572608e-19, 6.55937522666136e-19, 6.62535286044948e-19, 6.679682670108419e-19, 6.7229734827591e-19, 6.75583412552244e-19, 6.778745251388639e-19, 6.792203535114239e-19, 6.796593499091399e-19, 6.79183503448842e-19, 6.77642209526934e-19, 6.748335938875319e-19, 6.7051893221217e-19, 6.64411434883362e-19, 6.561618273948959e-19, 6.45350339468664e-19, 6.3146427458178595e-19, 6.1386917078719795e-19, 5.91789574594044e-19, 5.6425456696212e-19, 5.300545045327559e-19, 4.8765450209058e-19, 4.35106312848648e-19, 3.6989451949157997e-19, 2.88750681686016e-19, 1.87369750816398e-19, 5.99994321136758e-20, -1.011524604816096e-19, -3.06834449353974e-19, -5.72154899944374e-19, -9.18846697422366e-19, -1.378943761408146e-18, -2.00115065939868e-18, -2.86219242604296e-18, -4.08814594284708e-18, -5.897387885025239e-18, -8.6938910690742e-18, -1.3291320898570858e-17, -2.1528447431057998e-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: 0.016398323951891697
Energy: 0.6527373519040965
Energy: 0.017298128592290688
Energy: 0.016626487836949328
Energy: 0.6522460421176075
Energy: 0.016768841789537386
Energy: 0.6527373519031536
Energy: 0.10665134724792984
Energy: 0.10649052812483108
Energy: 0.10634095977580238
Energy: 0.10652474163548886
Energy: 0.10741198475254062
Energy: 0.017298128592290688
Energy: 0.10649052812266599
Energy: 0.10732023924582801
Energy: 0.016948303937926127
Energy: 0.1064170229851464
Energy: 0.10709478304313529
Energy: 0.016626487836635038
Energy: 0.10634095977548809
Energy: 0.01694830393761184
Energy: 0.016695074800371097
Energy: 0.10649399234202943
Energy: 0.016819783852326502
Energy: 0.6522460421170139
Energy: 0.10652474163643173
Energy: 0.10641702298574006
Energy: 0.10649399234017863
Energy: 0.10626155292806524
Energy: 0.10635041796473067
Energy: 0.016768841789851673
Energy: 0.1074119847528549
Energy: 0.10709478304313529
Energy: 0.016819783851732852
Energy: 0.1063504179641021
Energy: 0.016894905335430265

minimum gb energy = 0.016398323951891697 eV
minimum distance =  2.54925250032408 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.4821804621639811
Energy: -0.3638387996272854
Energy: 0.43571195430648785
Energy: 0.6750628347663591
Energy: -0.3585007194466207
Energy: 0.44188873875034446
Energy: 1.3243170202997276
Energy: 0.5853746723669238
Energy: 0.5866723662779103
Energy: 0.5845585444623206
Energy: 0.4654832965388814
Energy: 0.5871196258809239
Energy: 1.3630520392792633
Energy: 0.5677304123986717
Energy: 0.5612728894479838
Energy: 0.675662187474171
Energy: 0.46354925810236625
Energy: 0.5862056241878758
Energy: 1.5108455317477354
Energy: 0.5868264702949474
Energy: 0.6568703539419568
Energy: -0.34609394947260536
Energy: 0.6144540190101088
Energy: 0.6559335176099284
Energy: 0.5947344164218571
Energy: 0.5854275085953213
Energy: 0.5862395778673212
Energy: 0.5799045412356019
Energy: 0.5870189449452142
Energy: 0.5867243563846204
Energy: 1.2953081067459709
Energy: 0.661633086045729
Energy: 0.6791084660608814
Energy: 0.6769258599727533
Energy: 0.6714463476417105
Energy: 0.6762661633916248
Energy: 1.336038948102657
Energy: 0.6777599444215205
Energy: 0.6773837376248795
Energy: 0.677595090782946
Energy: 0.6603030302109137
Energy: 0.6772874136695389
Energy: 1.3201577418639676
Energy: 0.6794786755497848
Energy: 0.6750574264527246
Energy: 0.669382829379146
Energy: 0.6803111492376411
Energy: 0.6789234461403635
Energy: 1.0327970441246161
Energy: 0.6790235081697117
Energy: 0.6797817265529623
Energy: 0.5858039237107963
Energy: 0.6773562107753616
Energy: 0.6758473312288215
Energy: 1.0309635076027304
Energy: 0.5868141029662205
Energy: 0.5866699392429222
Energy: -0.1585216511981128
Energy: 0.5803231707713935
Energy: 0.5867290601784562
Energy: 1.0906358552773232
Energy: 0.6407512988348089
Energy: 0.6385556279253826
Energy: 0.6145425569680059
Energy: -0.35647286616650264
Energy: 0.6652305938996504
Energy: 0.8344504239495788
Energy: 0.5862868227197826
Energy: 0.5866920458256353
Energy: 0.4633001683752439
Energy: 0.6748349208577913
Energy: 0.5863225258051133
Energy: 0.8333113612656345
Energy: 0.5834805557836601
Energy: 0.5853038559393257
Energy: 0.43177713339202606
Energy: 0.582469907893613
Energy: 0.5869573485491562
Energy: 0.9018037713989099
Energy: 0.5655611260507164
Energy: 0.6510328741774181
Energy: 0.5783240652746092
Energy: -0.3354662790589808
Energy: 0.6055793500140018
Energy: 0.8898729542455395
Energy: 0.5844798775433494
Energy: 0.587938221105769
Energy: 0.45456438736740473
Energy: 0.58340513333901
Energy: 0.5867643067128695
Energy: 0.8905017043240039
Energy: 0.6793583072513737
Energy: 0.6770763871558337
Energy: 0.46943679306494573
Energy: 0.6778423815185496
Energy: 0.6527781118191885
Energy: 1.1174637785006443
Energy: 0.6592913642893002
Energy: 0.6569096951006015
Energy: 0.6603851612356395
Energy: 0.5399641121050289
Energy: 0.6515450384469488
Energy: 1.204268170787062
Energy: 0.6790590163661853
Energy: 0.6783371332994468
Energy: 0.6773394366054633
Energy: 0.6767819967584766
Energy: 0.6780976963681097
Energy: 1.1722198668884163
Energy: 0.6793761092682057
Energy: 0.677170434514842
Energy: 0.6773438200698616
Energy: 0.6798243462341113
Energy: 0.6768494704728703
Energy: 0.5648883051287894
Energy: 0.6793774849069995
Energy: 0.6792163646072711
Energy: 0.6769535519445354
Energy: 0.6778441367660493
Energy: 0.6769010539363698
Energy: 0.4249998738602772
Energy: 0.6604107621316172
Energy: 0.6475725342473045
Energy: 0.38766395896739214
Energy: 0.659338693463466
Energy: 0.6407517956328785
Energy: 1.2838386385620253
Energy: 0.6608577841368876
Energy: 0.2446549824509051
Energy: 0.6742556737793542
Energy: 0.5627362168330254
Energy: 0.6770747477868456
Energy: 1.4001566280778217
Energy: 0.5858080479436443
Energy: 0.5866766799830312
Energy: 0.48588284373257007
Energy: 0.4700373869967226
Energy: 0.5872068821587652

minimum gb energy = -0.3638387996272854 eV
minimum distance =  2.38159792292234 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.2411362861926474
Energy: 0.7300867340738572
Energy: 0.6581639951054347
Energy: 0.7016223088263027
Energy: 0.5821614933093677
Energy: 0.7804615348156556
Energy: 1.4961455951741016
Energy: 0.667248951842725
Energy: 0.6629113191160498
Energy: 0.5926815911666342
Energy: 0.664720016371285
Energy: 0.6954063511418762
Energy: 1.464448098527469
Energy: 0.7287079564322905
Energy: 0.5849607966705445
Energy: 0.7648312627031201
Energy: 0.6661613905363902
Energy: 0.7162532615644995
Energy: 1.562048134750539
Energy: 0.6868532490175085
Energy: 0.7412479748547491
Energy: 0.7717928258597803
Energy: 0.6031420975881182
Energy: 0.7624558697065549
Energy: 1.3837328289702544
Energy: 0.61991400070261
Energy: 0.6249445186847835
Energy: 0.6211801233867738
Energy: 0.6893790873968296
Energy: 0.6279907043223343
Energy: 1.4570219966826408
Energy: 0.6255982226477911
Energy: 0.6404646596767987
Energy: 0.47003197005688097
Energy: 0.6893964578071721
Energy: 0.5299869862997605
Energy: 1.4566641523212003
Energy: 0.7454254557565306
Energy: 0.7444151643510769
Energy: 0.6240265063472487
Energy: 0.7427417330622763
Energy: 0.7596173693334265
Energy: 1.2685882898455048
Energy: 0.7677979998362026
Energy: 0.7694717132187099
Energy: 0.638450767974851
Energy: 0.768078366760971
Energy: 0.7681308042860265
Energy: 1.1541923356653903
Energy: 0.7687823108053461
Energy: 0.7475350623802385
Energy: 0.775346241010352
Energy: 0.7650472134673297
Energy: 0.7762171861283039
Energy: 1.122006047712869
Energy: 0.7951251112599911
Energy: 0.7913487083265087
Energy: 0.7511239643566187
Energy: 0.7851291408083744
Energy: 0.7943834881195289
Energy: 1.0127987481043685
Energy: 0.829490694440562
Energy: 0.7892170983317496
Energy: 0.7864483418408065
Energy: 0.7345700673832802
Energy: 0.7563549084864408
Energy: 0.951266071154289
Energy: 0.7839515935218815
Energy: 0.7951456795490306
Energy: 0.7636494921717185
Energy: 0.7889421656481144
Energy: 0.7927212667445097
Energy: 0.9643521794371676
Energy: 0.7532668322732459
Energy: 0.7524409985280088
Energy: 0.7515292710939377
Energy: 0.7547299342771254
Energy: 0.7813019510835796
Energy: 1.0221707398308544
Energy: 0.7715237092609485
Energy: 0.7713620836606598
Energy: 0.8221998712703655
Energy: 0.7759523121795556
Energy: 0.7623784453485735
Energy: 1.073033266891553
Energy: 0.7515650601004717
Energy: 0.7513867172470778
Energy: 0.7587179633157055
Energy: 0.7530890135753473
Energy: 0.7527480153943498
Energy: 1.0753717797115454
Energy: 0.8215764628541067
Energy: 0.7884396283076478
Energy: 0.7579668833425525
Energy: 0.8093904887200938
Energy: 0.8063281985810533
Energy: 1.3003889733417373
Energy: 0.7660319807559095
Energy: 0.8327705918440474
Energy: 0.7897361459142722
Energy: 0.7651098650825057
Energy: 0.8320178505425139
Energy: 1.3486034872198647
Energy: 0.7948351065441882
Energy: 0.7809862249488763
Energy: 0.7659866688634741
Energy: 0.7952726219743118
Energy: 0.7731482991169534
Energy: 1.3178960075101724
Energy: 0.7893036179050336
Energy: 0.7802456504277405
Energy: 0.774828834716173
Energy: 0.7899034846988349
Energy: 0.8019411721148435
Energy: 0.6635253908014752
Energy: 0.7662178405287636
Energy: 0.7666082918915916
Energy: 0.8148476933727289
Energy: 0.7664557175666211
Energy: 0.8005907852732485
Energy: -0.10247163166466658
Energy: 0.8131577505971448
Energy: 0.135141399681306
Energy: -0.719800759210627
Energy: 0.8076480030194944
Energy: -0.7954253627214757
Energy: 1.4175651797351012
Energy: 0.7728760364592271
Energy: 0.7667842796871376
Energy: 0.4065880141261205
Energy: 0.7729193696448255
Energy: 0.7359973879438538
Energy: 1.3992687018443484
Energy: 0.7677623774526208
Energy: 0.7670402463153513
Energy: 0.8079920406817493
Energy: 0.7754683644928014
Energy: 0.8027345598234342
Energy: 1.5611142924024832
Energy: 0.8586785084286104
Energy: 0.8275449877186699
Energy: 0.7236385729131527
Energy: 0.8235353766332056
Energy: 0.7286928706022654
Energy: 0.38959310739264347
Energy: 0.8199452946007555
Energy: 0.8285844538174939
Energy: 0.8184509469199985
Energy: 0.8252260497172196
Energy: 0.8197300021630849
Energy: 1.4535210014726656
Energy: 0.7546490578459794
Energy: 0.7946461842757049
Energy: 0.7518509527649665
Energy: 0.7540327904893478
Energy: 0.7939967543227603
Energy: 1.4602130291881141
Energy: 0.7518995534251401
Energy: 0.75241112923892
Energy: 0.7554229881749767
Energy: 0.750782823728327
Energy: 0.7533762916208929
Energy: 1.3768989437654664
Energy: 0.7665213901860563
Energy: 0.7654635188552641
Energy: 0.7504435880420555
Energy: 0.7746048630728164
Energy: 0.7533030351035441
Energy: 1.1524820018454656
Energy: 0.7731882546471006
Energy: 0.7742127105414902
Energy: 0.7796909270388545
Energy: 0.7731663277303756
Energy: 0.7864152857648996
Energy: 1.1252373204052342
Energy: 0.7861477106988538
Energy: 0.7945420776717605
Energy: 0.7390098164128568
Energy: 0.7905215131982788
Energy: 0.7906403903591372
Energy: 1.1833262064588386
Energy: 0.8198008759182376
Energy: 0.8294133446130347
Energy: 0.7593288824870147
Energy: 0.8231609515140376
Energy: 0.8193262437402213
Energy: 0.9427724662646918
Energy: 0.7934603238035615
Energy: 0.7876000764266421
Energy: 0.7730717031338795
Energy: 0.7837513269251741
Energy: 0.7948333241083575
Energy: 0.944786003617835
Energy: 0.7625035945296795
Energy: 0.7915510546673055
Energy: 0.7415105584692839
Energy: 0.7517675791120959
Energy: 0.7918854106652005
Energy: 0.9524558422918077
Energy: 0.7754561607406865
Energy: 0.7783014367371792
Energy: 0.7779532707183091
Energy: 0.7770318674324134
Energy: 0.7683841790092837
Energy: 1.0669865840078459
Energy: 0.7482343089371564
Energy: 0.5410426049617331
Energy: 0.6669994206992431
Energy: 0.7511284141700801
Energy: 0.7460817779187988
Energy: 1.0747046784923369
Energy: 0.6529873411997743
Energy: 0.4372768543329174
Energy: 0.7656601057345598
Energy: -0.04986662544746854
Energy: 0.6090297202763839
Energy: 1.337246636348073
Energy: 0.6477819551394954
Energy: 0.558017533203775
Energy: 0.6335920688168174
Energy: 0.6514776798478983
Energy: 0.715948784861981
Energy: 1.3180081055053237
Energy: -1.0681208812087974
Energy: 0.4784123004949089
Energy: 0.7665226627033208
Energy: 0.724594884627741
Energy: 0.7078897044062752
Energy: 1.3490507408146215
Energy: 0.725855520253552
Energy: 0.6841396135840683
Energy: 0.7675593548042763
Energy: 0.6702674270356508
Energy: 0.7688007435257255
Energy: 0.14823756461019513
Energy: 0.7360174430286444
Energy: 0.6562274918433038
Energy: 0.5618451266502049
Energy: 0.44010324844289456
Energy: 0.6315008391035488
Energy: 0.732649121830779
Energy: 0.6830788423297487
Energy: 0.6493843364446387
Energy: 0.7047854286104401
Energy: 0.7365496723877212
Energy: 0.7275386396580223

minimum gb energy = -1.0681208812087974 eV
minimum distance =  2.25054825161466 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.7128917114167694
Energy: 0.5716824027193043
Energy: 0.5635336440213379
Energy: 0.6860122837500221
Energy: 0.5762921467382274
Energy: 0.8289577446036511
Energy: 1.2025615818841364
Energy: 0.5760030903866817
Energy: 0.5834002325933954
Energy: 0.5765787358163621
Energy: 0.5742315514375049
Energy: 0.658527432117229
Energy: 1.409181308723497
Energy: 0.5747087816739264
Energy: 0.5760869454363151
Energy: 0.6820685786869043
Energy: 0.5736403006193993
Energy: 0.6848568488895148
Energy: 1.409044844816486
Energy: 0.18442230703300305
Energy: 0.24947472198453668
Energy: 0.6306090240809784
Energy: 0.3470972110223015
Energy: 0.6480635307347923
Energy: 1.2018373340010884
Energy: 0.6843332034804886
Energy: 0.5749510353239939
Energy: 0.5992930469011845
Energy: 0.6841798338764002
Energy: 0.5756080987680058
Energy: 1.1617162935025471
Energy: 0.571651864640911
Energy: 0.5753855887891491
Energy: 0.5759644040410564
Energy: 0.6124820891540749
Energy: 0.5746337155241101
Energy: 1.1618164941650249
Energy: 0.5711965502406922
Energy: 0.5687564644676946
Energy: 0.613208008475035
Energy: 0.5718074466956552
Energy: 0.5733047607391322
Energy: 1.2512930788838268
Energy: 0.556059395728589
Energy: 0.5577835266704186
Energy: 0.5707878232225175
Energy: 0.7499915061119643
Energy: 0.7676935213162122
Energy: 0.8685317607105394
Energy: 0.7901180979317317
Energy: 0.5594300273676326
Energy: 0.5736590292381021
Energy: 0.5556581318818397
Energy: 0.5814696709753202
Energy: 0.8689196811793243
Energy: 0.5898812618656017
Energy: 0.7068338858599559
Energy: 0.5719872982621831
Energy: 0.6722192441908164
Energy: 0.6557600531182233
Energy: 0.8722590430272475
Energy: 0.6342415073427032
Energy: 0.671678378706941
Energy: 0.5783042729193267
Energy: 0.7018382256104523
Energy: 0.671847141457458
Energy: 0.9516011523586067
Energy: 0.2034091454320084
Energy: -0.07893676196806498
Energy: 0.573670025286742
Energy: 0.6429935934346989
Energy: 0.20531937001398953
Energy: 0.9526860130869774
Energy: 0.7841523724019055
Energy: 0.7841991144138487
Energy: 0.5802772292215965
Energy: 0.8063321226770706
Energy: 0.7848578644198348
Energy: 1.1933148380199903
Energy: 0.7050608027984778
Energy: 0.7057717211260595
Energy: 0.67543849945339
Energy: 0.637885855277115
Energy: 0.6869759220995446
Energy: 1.2718149739272193
Energy: 0.5840713966773604
Energy: 0.6900647257560023
Energy: 0.7727217884216123
Energy: 0.581183943502713
Energy: 0.7841595521358414
Energy: 1.2731271297465212
Energy: 0.5712612540452126
Energy: 0.5804132193868157
Energy: 0.556145253516184
Energy: 0.5750505114610779
Energy: 0.5637718840244986
Energy: 1.385749162059198
Energy: 0.5737290581190289
Energy: 0.5785336725435122
Energy: 0.7136762770485949
Energy: 0.575010782558391
Energy: 0.6792137262129172
Energy: 1.5442863108035942
Energy: 0.5729213666401107
Energy: 0.5953128012080438
Energy: 0.7503721541355922
Energy: 0.5749209919443822
Energy: 0.6142167597349412

minimum gb energy = -0.07893676196806498 eV
minimum distance =  2.38678960882204 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.434394250309835
Energy: 0.8169722882197495
Energy: 0.8482276422121895
Energy: 0.7752810475603882
Energy: 0.816662958178386
Energy: 0.7902088135332646
Energy: 1.0802689862716406
Energy: 0.817198313352968
Energy: 0.8169753680224638
Energy: 0.8459181356090274
Energy: 0.817233539555309
Energy: 0.8533919300425733
Energy: 0.924571493348581
Energy: 0.8172881699529154
Energy: 0.8172249863366743
Energy: 0.8304728650886216
Energy: 0.8174017890684566
Energy: 0.8178243467649878
Energy: 1.0830514170767125
Energy: 0.9269519298308183
Energy: 0.9262735333514169
Energy: 0.8139140017200283
Energy: 0.8170112494568054
Energy: 0.9247633974214404
Energy: 0.7727467535984358
Energy: 0.8537139410585584
Energy: 0.8532661448240463
Energy: 0.8038531976141641
Energy: 0.8551253831937373
Energy: 0.8672238907819515
Energy: 1.08018193403187
Energy: 0.8013347554069988
Energy: 0.8470935597510972
Energy: 0.8582624017750606
Energy: 0.8009939415305206
Energy: 0.8515350406562012
Energy: 1.0795755360373664
Energy: 0.8453993456736612
Energy: 0.8463107884370289
Energy: 0.8531622238227285
Energy: 0.8041104960087638
Energy: 0.853536142995075
Energy: 0.9234064432403123
Energy: 0.8013824741809632
Energy: 0.8015351932901742
Energy: 0.8177112501000747
Energy: 0.7730433392262519
Energy: 0.8032136457284393
Energy: 0.8172163263166838
Energy: 0.8538467172346875
Energy: 0.8558928208430164
Energy: 0.8173141661941872
Energy: 0.8525966076764134
Energy: 0.8015765214215153
Energy: 0.8189138413519792
Energy: 0.8464704211011894
Energy: 0.8665810417862515
Energy: 0.8174841979890127
Energy: 0.8048747176443021
Energy: 0.8169848559590329
Energy: 0.8191295819453129
Energy: 0.8110919358465675
Energy: 0.8096145960931964
Energy: 0.8182666291933268
Energy: 0.8119531310046767
Energy: 0.8166069886162801
Energy: 1.1331057588888103
Energy: 0.8049235605654177
Energy: 0.8666580777362992
Energy: 0.8172955861020522
Energy: 0.8045834585782201
Energy: 0.8534322823598602
Energy: 0.8029990619746988
Energy: 0.8532104114745854
Energy: 0.8534378435985802
Energy: 0.8054275811151412
Energy: 0.8534278815430506
Energy: 0.8475240528499188
Energy: 1.1328620117057346
Energy: 0.8585613684302716
Energy: 0.8577808148603945
Energy: 0.8041829750342115
Energy: 0.8260207094323835
Energy: 0.8485583938402549
Energy: 1.351382371602665
Energy: 0.8174724512422945
Energy: 0.8172147718345649
Energy: 0.8522294995298223
Energy: 0.817431715072632
Energy: 0.855727199577426
Energy: 1.3538943409725488
Energy: 0.8172824705758664
Energy: 0.8027353049604443
Energy: 0.7731297172578043
Energy: 0.8183799574298755
Energy: 0.8013600894733047
Energy: 0.8172020728597023
Energy: 0.8174092967190281
Energy: 0.8169123921477801
Energy: 0.8040988752530351
Energy: 0.8187772535770919
Energy: 0.8530673052814721
Energy: 1.0848249287583223
Energy: 0.8171977615746859
Energy: 0.8175586169858243
Energy: 0.8146032374815209
Energy: 0.8173005026511505
Energy: 0.8184023177304883
Energy: 1.0854543358225324
Energy: 0.8173594168168075
Energy: 0.8178777865659257
Energy: 0.8149928294002831
Energy: 0.817333446986497
Energy: 0.854636570008402
Energy: 1.0792438540848464
Energy: 0.801153132126168
Energy: 0.8483539720823489
Energy: 0.8042826573939565
Energy: 0.8010024647694525
Energy: 0.8456616102554362
Energy: 1.0794971594638816
Energy: 0.8536826087842045
Energy: 0.8537867978458703
Energy: 0.8289969248634872
Energy: 0.8549478305611259
Energy: 0.852489412864952
Energy: 1.079274651475128
Energy: 0.8455817931019778
Energy: 0.853382883059615
Energy: 0.8545431827209929
Energy: 0.8041845260587458
Energy: 0.8533931531224349
Energy: 0.981538608097174
Energy: 0.7705328962078866
Energy: 0.773476647296178
Energy: 0.9238017929922095
Energy: 0.7729420020145948
Energy: 0.8024556648802366
Energy: 0.817247302513399
Energy: 0.8668984766631641
Energy: 0.8533418615978376
Energy: 0.8171864058958378
Energy: 0.8571267463679215
Energy: 0.8170429675869397
Energy: 0.8174110396289836
Energy: 0.8673634405830455
Energy: 0.8540521146619149
Energy: 0.8173367513428004
Energy: 0.82946470763354
Energy: 0.817173263966352
Energy: 0.804376685461786
Energy: 0.8122494515243754
Energy: 0.8097512773859071
Energy: 0.8185429013501053
Energy: 0.812766594456448
Energy: 0.8172790454170341
Energy: 1.1314117344238184
Energy: 0.8044304868710838
Energy: 0.8463504204915201
Energy: 0.8171007732180041
Energy: 0.8038832400511791
Energy: 0.8532729234398888
Energy: 0.8013031766560109
Energy: 0.8562617514926119
Energy: 0.8575240080346151
Energy: 0.8009785732374387
Energy: 0.85352378551385
Energy: 0.8481534101968039
Energy: 1.065844438345765
Energy: 0.8560390087980011
Energy: 0.8574708960051765
Energy: 0.8042126136205273
Energy: 0.853206960576921
Energy: 0.8486813825980576
Energy: 1.3526177222078355
Energy: 0.8175996049530017
Energy: 0.8019979806724955
Energy: 0.775614348380897
Energy: 0.8173074849616327
Energy: 0.8013002104486378

minimum gb energy = 0.7705328962078866 eV
minimum distance =  2.38384707073645 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.1336247553528396
Energy: 0.6386599341879734
Energy: 0.9548340248451896
Energy: 0.5833934836995776
Energy: 0.6394715796020749
Energy: 0.8773424997583841
Energy: 0.644682837242826
Energy: 0.6383428538055973
Energy: 0.6406537071750077
Energy: 0.6459059098046406
Energy: 0.6375996239513224
Energy: 0.6457555513197044
Energy: 1.374110206931565
Energy: 0.6380825552056241
Energy: 0.6458920094899915
Energy: 0.6410675501566894
Energy: 0.6377881308776759
Energy: 0.6480884355118983
Energy: 1.3687277645668334
Energy: 0.7713984907907309
Energy: 0.7707410328669394
Energy: 0.6442728203126181
Energy: 0.7708894649988036
Energy: 0.7574050260980626
Energy: 1.0176438228663034
Energy: 0.6198820655167862
Energy: 0.6479816131626749
Energy: 0.6428478427243395
Energy: 0.6201328741910275
Energy: 0.6477854812817653
Energy: 0.8768078879498082
Energy: 0.6170603644547858
Energy: 0.6163521952973487
Energy: 0.8034962573547118
Energy: 0.6003862978319136
Energy: 0.6165545614819687
Energy: 0.8073421503179987
Energy: 0.6459110686002095
Energy: 0.6454078853416523
Energy: 0.7410355383792142
Energy: 0.6446262632256587
Energy: 0.6421575676322847
Energy: 0.9808724130384928
Energy: 0.6185930257664966
Energy: 0.6382519139476407
Energy: 0.9054882635993128
Energy: 0.6230743500908348
Energy: 0.6384636861902385
Energy: 0.9461925216422797
Energy: 0.6426754941478164
Energy: 0.6325673486622259
Energy: 0.6420992973481265
Energy: 0.6430740019250011
Energy: 0.6428293825632966
Energy: 0.9486133324925135
Energy: 0.6432053630386709
Energy: 0.6457732957958501
Energy: 0.6440495617359093
Energy: 0.6443304949012701
Energy: 0.644930732148851
Energy: 0.9464404134481582
Energy: 0.6350329010224383
Energy: 0.6328825768780177
Energy: 0.6445277841786791
Energy: 0.640356620912241
Energy: 0.6339988613978952
Energy: 0.6374798354295365
Energy: 0.6425172219693467
Energy: 0.6443547502810619
Energy: 0.6467386823289908
Energy: 0.6425994760898246
Energy: 0.6439643808558154

minimum gb energy = 0.5833934836995776 eV
minimum distance =  2.40904968112477 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.048238516430246
Energy: 0.36690417827215577
Energy: 0.5315710760648484
Energy: 0.6315980269886421
Energy: 0.5473593919908332
Energy: -1.2002055123894602
Energy: 0.9590191380418333
Energy: 0.4828047610860757
Energy: 0.560332508028598
Energy: 0.5371074039025657
Energy: -0.8537303036124767
Energy: 0.5600523113157603
Energy: 1.07061076973227
Energy: 0.5254130724489376
Energy: 0.5275668018842979
Energy: 0.5486757012256399
Energy: 0.533822354156234
Energy: 0.530615415985916
Energy: 1.0699448634705317
Energy: 0.6097574412580895
Energy: 0.6099357109924209
Energy: 0.4937889894383903
Energy: 0.5243338950680614
Energy: 0.6112995777588375
Energy: 0.6209742057273961
Energy: 0.4997160225743071
Energy: 0.5023364814166043
Energy: 0.562267952325972
Energy: 0.5166864013873271
Energy: 0.5484552497245644
Energy: 0.767136212371965
Energy: 0.5106179375672176
Energy: 0.543548557796336
Energy: 0.48683162956774695
Energy: 0.47938260566951785
Energy: 0.5316762138398435
Energy: 0.6715894619519912
Energy: 0.5141252567868332
Energy: 0.5369660646604519
Energy: 0.4798146755429628
Energy: 0.5168104698260062
Energy: 0.525066859530664
Energy: 0.7234168963746427
Energy: 0.5085693940806271
Energy: 0.5232633191916296
Energy: 0.5071810000306028
Energy: 0.5092423662155857
Energy: 0.49880044513146427
Energy: 0.5730522955120737
Energy: 0.5119253703945049
Energy: 0.5180016308020406
Energy: 0.5221663536742573
Energy: 0.5059636069544474
Energy: 0.5222802708877963
Energy: 1.2392622775119275
Energy: 0.6590553885620835
Energy: 0.611537006538617
Energy: 0.43774669162272956
Energy: 0.7673067594212198
Energy: 0.5170136778725406
Energy: 1.235877450975448
Energy: 0.5180349503482392
Energy: 0.52247510080791
Energy: 0.5142707651341795
Energy: 0.5256012993663324
Energy: 0.5232056549657589
Energy: 0.9578493061808864
Energy: 0.5071229675892687
Energy: 0.5455899060580783
Energy: 0.48843733211893825
Energy: 0.42876252683766675
Energy: 0.5224343665976834
Energy: 1.0501824611270398
Energy: 0.6123894334744798
Energy: 0.45485433319417645
Energy: -0.09447236923662986
Energy: 0.5989797944733865
Energy: 0.6449840982335242
Energy: 0.9576502327260475
Energy: 0.5378282504432669
Energy: 0.5487769456716336
Energy: 0.5281510724765056
Energy: 0.5378104295280394
Energy: 0.5249367490908545
Energy: 0.6830169952545572
Energy: 0.5003659367466333
Energy: 0.5043341166891586
Energy: 0.5245794251564364
Energy: 0.4992251293194916
Energy: 0.603898249628272
Energy: 0.6836930107110621
Energy: 0.5472107685780426
Energy: 0.5262878115336891
Energy: 0.534700826940355
Energy: 0.548874736982142
Energy: 0.5432705132550999
Energy: 0.6798064343355266
Energy: 0.4840751950246746
Energy: 0.5157446644268575
Energy: 0.5246699503409382
Energy: 0.483710704148772
Energy: 0.5345663018679272
Energy: 0.7050549023640754
Energy: 0.47500283095795076
Energy: 0.48772195787037503
Energy: 0.559068052227954
Energy: 0.5073336307030037
Energy: 0.5414226285103856
Energy: 0.8254848409732044
Energy: 0.5765812141256029
Energy: 0.575451501731439
Energy: 0.5535730621285971
Energy: 0.5737845726014118
Energy: 0.5488331303571883
Energy: 0.7917311180223898
Energy: 0.5259214143166985
Energy: 0.5402243123822765
Energy: 0.5479016819348388
Energy: 0.5260595857156964
Energy: 0.5404227323020478
Energy: 0.5175317594862621
Energy: 0.5413420759319644
Energy: 0.5456156475904963
Energy: 0.5660021269118256
Energy: 0.5411228399994809
Energy: 0.5766362659276939
Energy: 0.8381228151573618
Energy: 0.49506924107378314
Energy: 0.49733339979835883
Energy: 0.5601055579065262
Energy: 0.5164365623484853
Energy: 0.446437025667946
Energy: 0.8433286485049591
Energy: 0.4788728171914771
Energy: 0.5411661138368944
Energy: 0.5192418231077482
Energy: 0.5151895888927859
Energy: 0.536862618586933
Energy: 0.9646956998638017
Energy: 0.5260780433984374
Energy: 0.5226625043902199
Energy: 0.5417369256236972
Energy: 0.5346104759226165
Energy: 0.5422138918671261
Energy: 1.0706262264372897
Energy: 0.4968351919337524
Energy: 0.5066716942009853
Energy: 0.4636811775593411
Energy: 0.5373025642327198
Energy: 0.5192294426921277
Energy: 0.9645667563934244
Energy: 0.5245703611150712
Energy: 0.5272701884868324
Energy: 0.5483343774838917
Energy: 0.5341388624194999
Energy: 0.5259415391736757
Energy: 0.8611250783607249
Energy: 0.4740768026067389
Energy: 0.06236729945914341
Energy: 0.7492630682969841
Energy: 0.5676508621811963
Energy: 0.6110325589475379
Energy: 0.6706826758885917
Energy: 0.5212493781643827
Energy: 0.5263675358489093
Energy: 0.513190194316255
Energy: 0.5210680408439116
Energy: 0.5479621606148191
Energy: 0.670208358720912
Energy: 0.5143936099124056
Energy: 0.5182128233602827
Energy: 0.5268925124660063
Energy: 0.5366924946599579
Energy: 0.5223054220983673
Energy: 0.6931439031892368
Energy: 0.5222480596617808
Energy: 0.5222843667467031
Energy: 0.457205018168697
Energy: 0.4926345509695202
Energy: 0.5219983398821457
Energy: 1.2340771828664694
Energy: 0.5176333993171859
Energy: 0.5219573445192581
Energy: 0.5196387857105956
Energy: 0.5258183075659525
Energy: 0.5245671816059133
Energy: 1.2419605708078432
Energy: 0.6594398787562218
Energy: 0.6597293068913062
Energy: 0.4375095055762494
Energy: 0.6512856732952839
Energy: 0.5172443007823774
Energy: 0.9624700054930426
Energy: 0.4376836791146148
Energy: 0.5236770431813181
Energy: 0.5169843027282928
Energy: 0.4797229680613307
Energy: 0.5396918378989446
Energy: 1.0432379177497038
Energy: 0.6084037071955086
Energy: 0.52904522751807
Energy: 0.4771599292932481
Energy: 0.6579627945202186
Energy: 0.5374763693840767
Energy: 1.0430192060176438
Energy: 0.5281795259085489
Energy: 0.5380709949143113
Energy: 0.5041738318473753
Energy: 0.5375837093917419
Energy: 0.5467351330444371
Energy: 0.7306889670595402
Energy: 0.5375492727663748
Energy: 0.5251546847276888
Energy: 0.6055995104293612
Energy: 0.5357001129857969
Energy: 0.6099006043888743
Energy: 0.7290882224812724
Energy: 0.5233139197904652
Energy: 0.5223190309292354
Energy: 0.6110105934715984
Energy: 0.5114398905418744
Energy: 0.5286977231441693
Energy: 0.6802937606863572
Energy: 0.5305419694933969
Energy: 0.5307991266483105
Energy: 0.5186293970455008
Energy: 0.5271271320380169
Energy: 0.5490969138411699
Energy: 0.7162776944261137
Energy: 0.6862513051872741
Energy: 0.6910604834820626
Energy: 0.7597235665588729
Energy: 0.326528975749446
Energy: 0.6743714888656652
Energy: 0.8244791964600863
Energy: 0.5322143847705089
Energy: 0.5323153947032053
Energy: 0.5578977301951609
Energy: 0.532894995075846
Energy: 0.5725813785192662
Energy: 0.7900541459768737
Energy: 0.5408502214981667
Energy: 0.5491333170392652
Energy: 0.525914623250049
Energy: 0.5021854475048313
Energy: 0.5492468760755527
Energy: 0.82519476221936
Energy: 0.5413271943183373
Energy: 0.5405680450573045
Energy: 0.543347023906035
Energy: 0.5106270608508773
Energy: 0.5469082697915683
Energy: 0.9724850802091849
Energy: 0.5119368952503529
Energy: 0.5252320968111478
Energy: 0.5196540709148718
Energy: 0.5521192083839838
Energy: 0.5365613553722458

minimum gb energy = -1.2002055123894602 eV
minimum distance =  2.39838072613937 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.3850596884035766
Energy: 0.30443977055195864
Energy: 0.283567591445427
Energy: 0.2819735120934651
Energy: 0.30420347974638445
Energy: 0.2817559523702191
Energy: 0.45753053092802354
Energy: 0.29546333342573716
Energy: 0.2942729311099302
Energy: 0.29646935429331267
Energy: 0.29671645286063997
Energy: 0.29417821174871106
Energy: 0.46163474316718683
Energy: 0.29601314894896064
Energy: 0.293552953551872
Energy: 0.29787392148923475
Energy: 0.2985292465203132
Energy: 0.29211580721059766
Energy: 0.4617243200234603
Energy: 0.29614012350125607
Energy: 0.29412372645078105
Energy: 0.2997329760152926
Energy: 0.29886087946293044
Energy: 0.2932706779352279
Energy: 0.4567782246304795
Energy: 0.2842061865208652
Energy: 0.2845962870509496
Energy: 0.298160471727614
Energy: 0.2850693951518336
Energy: 0.295040627242361
Energy: 0.4259440298938731
Energy: 0.2828261454346961
Energy: 0.2842264835861189
Energy: 0.29687662478866467
Energy: 0.28309218364997124
Energy: 0.2828810657717305
Energy: 0.42028406861367107
Energy: 0.2958685115048635
Energy: 0.2942449823996954
Energy: 0.29837711849517307
Energy: 0.2973838475543578
Energy: 0.2931901861143074
Energy: 0.42581358875693737
Energy: 0.29782836726435125
Energy: 0.2950119944032364
Energy: 0.30291747306458733
Energy: 0.2988969297837707
Energy: 0.29509899098274983
Energy: 0.45617324649866947
Energy: 0.2951870281741367
Energy: 0.2941294588582924
Energy: 0.3004011480436289
Energy: 0.29675799886781473
Energy: 0.29444373886290887
Energy: 0.3911216435062849
Energy: 0.296164618978066
Energy: 0.2834187228146034
Energy: 0.28371750548647695
Energy: 0.2972353434056821
Energy: 0.2832384804142927
Energy: 0.38632561453668124
Energy: 0.2956696906953202
Energy: 0.29480292109225176
Energy: 0.2841450719773799
Energy: 0.2970459915634535
Energy: 0.28377901069125044
Energy: 0.4580168428500354
Energy: 0.29542282548916016
Energy: 0.2936003443674254
Energy: 0.2963795664532908
Energy: 0.297639077703129
Energy: 0.2915924961843675
Energy: 0.46197236827898464
Energy: 0.29890566874589436
Energy: 0.29967421329504385
Energy: 0.2988703858777153
Energy: 0.3025578812946027
Energy: 0.2991147457206707
Energy: 0.45684333896937046
Energy: 0.29588460271330547
Energy: 0.29444207033504566
Energy: 0.2971072605378693
Energy: 0.29700967855616056
Energy: 0.29420726965144334
Energy: 0.4616264213002513
Energy: 0.28203714862158863
Energy: 0.2827796458837318
Energy: 0.2998622523228083
Energy: 0.282140602784677
Energy: 0.28236663854652344
Energy: 0.42267807589390516
Energy: 0.2951278126708758
Energy: 0.2944091293980381
Energy: 0.2982014870477367
Energy: 0.2849076853547458
Energy: 0.29441391464847827
Energy: 0.42566431256188875
Energy: 0.29502175252602814
Energy: 0.29229834569075336
Energy: 0.3002664313616082
Energy: 0.2965460891516164
Energy: 0.2924254171348485
Energy: 0.46089371763667036
Energy: 0.29796185050575164
Energy: 0.29451909300503326
Energy: 0.30054717517822216
Energy: 0.299502908273799
Energy: 0.29401485559738005
Energy: 0.38634792518706473
Energy: 0.2969564563288028
Energy: 0.29571181189703805
Energy: 0.2852666944932708
Energy: 0.29814274908500493
Energy: 0.2948824540423111

minimum gb energy = 0.2817559523702191 eV
minimum distance =  2.45520991893041 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.1794961787691816
Energy: 0.8400689942142567
Energy: 0.7957231195391753
Energy: 0.6272123039449512
Energy: -0.256547855479304
Energy: -0.01703923186625582
Energy: 0.12793001396870873
Energy: 0.12040743799347625
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Energy: 0.16780994030919147

minimum gb energy = -0.8577105410758982 eV
minimum distance =  2.40001948960351 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: 0.32063227967124025
Energy: 0.2550584560395646

minimum gb energy = -0.4946241110817218 eV
minimum distance =  2.21267341817148 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: -0.9259653764866173
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Energy: -0.7992827304969539
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Energy: -0.009006738390855935
Energy: -0.656967821983922
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Energy: 1.0138015352280085
Energy: 0.007861475927690322
Energy: 0.723940135969097
Energy: 1.0134566586587388

minimum gb energy = -1.221165023334646 eV
minimum distance =  2.38358175342242 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.1009369824496886
Energy: -0.09693064422918851
Energy: 0.5501106821897674
Energy: 0.6292974856691497
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Energy: 0.45417966630352685
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Energy: 0.4502396823061113
Energy: 0.4481765665600486
Energy: -0.09425559609391886
Energy: 0.44957135357120015
Energy: 0.4478343518396107

minimum gb energy = -0.1775943220777958 eV
minimum distance =  2.41534771166371 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: -2.0342783851295456

minimum gb energy = -2.4860822689247493 eV
minimum distance =  2.33182542645297 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -0.03713571873625243
Energy: -1.3983202388602605
Energy: 0.430342756485864
Energy: 0.2717679358061935
Energy: 0.011968938099234747
Energy: -0.8975159249346392
Energy: 0.4919009454379338
Energy: -0.7368975145202231
Energy: -0.8461251024687232
Energy: 0.7130270552295399
Energy: 0.19377291522332146
Energy: 0.22427675397255206
Energy: 0.11912004926730488
Energy: -0.0532162780320998
Energy: 0.22335857836097867

minimum gb energy = -1.6267993366584532 eV
minimum distance =  2.39151155030161 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.8114650738491453
Energy: -0.6277236778765622
Energy: 0.559255589399001
Energy: 0.5495864802974207
Energy: -0.2925023717629467
Energy: 0.13650470908645634
Energy: -0.24046215792592782
Energy: 0.3701824397081887
Energy: 0.6131682809931471
Energy: -0.39389529733089895
Energy: 0.370902815496354
Energy: 0.3193130564216225
Energy: 0.12411036198002873
Energy: -0.6317260335383421
Energy: -0.5782669118104455
Energy: -0.554154890399067
Energy: -0.5725050587680585
Energy: -0.5498601780998285
Energy: 0.13236651952213066
Energy: -0.4977948853613326
Energy: -0.5288543135642146
Energy: -0.1450299746871962
Energy: -0.5690278972756283
Energy: -0.5439091568208252
Energy: -0.2719053604351141
Energy: -0.32308426938960494
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Energy: -0.32680553720079103
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Energy: -0.22952257372862753
Energy: -0.26514202539622617
Energy: -0.32559384235180183
Energy: -0.324868467512679
Energy: -0.33099484349209185
Energy: -0.32369358916664875
Energy: -0.9043429707977256
Energy: 0.14432991168727685
Energy: 0.1442116937507116
Energy: -0.6673772911483083
Energy: 0.15804206389021797
Energy: 0.3361212003538891
Energy: 0.5501270157262675
Energy: 0.17508802998900574
Energy: 0.18984534958002536
Energy: 0.4039994159526613
Energy: 0.17795250360156933
Energy: -0.6137286101328294
Energy: 0.47277744540402244
Energy: -0.002327258890642669
Energy: -0.391116792880891
Energy: 0.32040621089618443
Energy: -0.10904839556646645
Energy: -0.23029109590772884
Energy: 0.09369562692583701
Energy: -0.3189211064150571
Energy: -0.09298428961714357
Energy: -0.386039992799011
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Energy: 0.46461328764264587
Energy: 0.2143500979379175
Energy: 0.20713402670933903
Energy: -0.40155750197287843
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Energy: -0.15791378301476353
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Energy: -0.3287503301647342
Energy: -0.3804930621186766
Energy: -0.3356590187787778
Energy: -0.15345715621530254
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Energy: 0.0404131635041544
Energy: 0.04318723016680331
Energy: 0.057006306567474685
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Energy: 0.12454463366651829
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Energy: -0.2929058680420727
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Energy: -0.43365382179436074
Energy: -0.910184629753358
Energy: -0.411475714657889
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Energy: -0.3194887767620679
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Energy: 0.37220329446849704
Energy: -0.6952877055783283
Energy: 0.3518155934604431
Energy: 0.17851501223915994
Energy: -0.8488492403541107
Energy: -0.9277309245328101
Energy: -0.8506475789822687
Energy: 0.048583998853303466
Energy: -0.9508041391741611
Energy: -1.1567205328561645
Energy: -0.8578742414917475
Energy: 0.059221654072787996
Energy: -0.11869192958432662
Energy: 0.0948608604385845
Energy: 0.017240619546214073
Energy: 0.52008423730615
Energy: 0.0046140502508413605
Energy: 0.060659986177982725
Energy: -0.14904550640059416
Energy: 0.0042126719771354865
Energy: 0.061888402245422976
Energy: -1.1434387103696741
Energy: -0.17506945309136515
Energy: -0.18572092552425623
Energy: -0.1832875966345771
Energy: -0.17363157944471533
Energy: -0.18327586851716735
Energy: -1.197033161468367
Energy: -0.38996619636738356
Energy: -0.15570323709666226
Energy: -0.9098444779866893
Energy: -0.1941102274677304
Energy: -0.2206542387548598
Energy: -1.2049735878065724
Energy: -0.1740689697001167
Energy: -0.43145009579714666
Energy: -0.1922771053106406
Energy: -0.17863099927449208
Energy: -0.4136778683385515
Energy: 0.20686999182534263
Energy: 0.24128992378175548
Energy: -0.535644235476791
Energy: 0.05606229698957911
Energy: -0.534726048076459
Energy: -0.5413736765005055
Energy: 0.14515245922805536
Energy: -0.172648073653413
Energy: 0.11463294900827312
Energy: -0.28547198093800397
Energy: -0.17969592742175497
Energy: 0.23825155540115092
Energy: 0.6275769489223182
Energy: -0.45134637966333163
Energy: 0.364609599657383
Energy: 0.4700042126610837
Energy: -0.7703468316324911
Energy: 0.31108949935453994

minimum gb energy = -1.2049735878065724 eV
minimum distance =  2.36282920630945 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.777222469347998
Energy: 0.3546986122462117
Energy: -0.19490662187915195
Energy: 0.3305519218503187
Energy: 0.3454652881679327
Energy: -0.1935953798081571
Energy: 0.6330513366637238
Energy: 0.2455973997627863
Energy: 0.2462376955138536
Energy: 0.07495061100377112
Energy: 0.2564172309355241
Energy: 0.10416196012100301
Energy: -0.14269321557728704
Energy: -0.26731305926633664
Energy: -0.26709968904358516
Energy: -0.3996499825794799
Energy: -0.27274033839900996
Energy: -0.2683928291335511
Energy: 0.5757730778926178
Energy: -0.27320113705429716
Energy: -0.2720753903533957
Energy: 0.07534699619662973
Energy: -0.27233318358555647
Energy: 0.25528009138847646
Energy: -1.6402714974294967
Energy: -0.4488648292434907
Energy: -0.4483404642881926
Energy: -0.44880007225974056
Energy: -0.4483552648952926
Energy: -0.44793180192011434
Energy: -0.3004362638089824
Energy: -0.44632377436638665
Energy: -0.4458618273418192
Energy: -0.44640064781468103
Energy: -0.44944973177108405
Energy: -0.44648683602401046
Energy: 0.5951789215528892
Energy: 0.2446252952797827
Energy: 0.24524665835081275
Energy: 0.24498778448354477
Energy: 0.07638301664928918
Energy: 0.24520313811185576
Energy: -0.19852665661531552
Energy: -0.39966375236714097
Energy: -0.3997493773692319
Energy: -1.3618672817897752
Energy: -0.4000311402360656
Energy: -0.19289284616222394
Energy: 0.5945158771047626
Energy: -0.1905794492605713
Energy: -0.1928374641769109
Energy: 0.2681661897660276
Energy: -0.19194372994742392
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Energy: 0.34976964179135644
Energy: -0.3001759676131419
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Energy: -0.19069586384141207
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Energy: 0.6300497583090826
Energy: 0.07404661839596866
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Energy: -0.1916274233134044
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Energy: 0.24522155880239946
Energy: -0.1433579882650866
Energy: 0.062422705064005074
Energy: 0.07819928260111883
Energy: -0.21789928387531973
Energy: -0.27363362277903036
Energy: 0.07263913839106337
Energy: 0.5763731310709695
Energy: 0.24432100917401584
Energy: 0.24531677226297424
Energy: 0.24529389907727384
Energy: 0.24530344926135753
Energy: 0.24500419533640302
Energy: -1.5934497767493359
Energy: -0.44793130574296164
Energy: -0.4482437920032763
Energy: -0.4491192760672972
Energy: -0.4461169617334124
Energy: -0.4478874031011545
Energy: -1.6006709955115912
Energy: -0.4461476259176222
Energy: -0.44708801815654087
Energy: -0.4467980077361817
Energy: -0.44752426165681913
Energy: -0.4474464035976228
Energy: 0.5913548483173064
Energy: -0.4000436005705704
Energy: -0.39966617284939837
Energy: 0.26803364897811166
Energy: -0.19248887003691226
Energy: -0.3988916045045019
Energy: 0.3922954598134033
Energy: -0.39978219020662453
Energy: -0.39887191906593283
Energy: -0.4000360245088179
Energy: -0.40006157087603555
Energy: -0.3999110601223835
Energy: 0.5878177804038979
Energy: -0.1884116798947131
Energy: -0.19146850964682605
Energy: 0.07445628938808067
Energy: -0.19236164955466384
Energy: 0.2463027182944889
Energy: 0.15603368782086624
Energy: 0.4475064411850761
Energy: 0.4494027650683173
Energy: 0.0005335426213662314
Energy: -0.9907537702327833
Energy: 0.4495006443380383
Energy: 0.6300236360839883
Energy: -0.19137317058752823
Energy: -0.1913499736032884
Energy: -0.3993681947436792
Energy: -0.18926894639533134
Energy: -0.4006461570982018
Energy: 0.618496688162907
Energy: -0.19138219529343867
Energy: 0.05246864483379286
Energy: 0.6194620639924288
Energy: -0.19081378053850256
Energy: 0.05231127067056451

minimum gb energy = -1.6402714974294967 eV
minimum distance =  2.37948042619552 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.8065104884071336
Energy: 0.2930930397306453
Energy: 0.4846617418588686
Energy: 0.36998356378870173
Energy: 0.2932603580667817
Energy: 0.3715647055516167
Energy: 0.6723064813429698
Energy: 0.3003987773933731
Energy: 0.3326950266010695
Energy: 0.3190184341055256
Energy: 0.30067780240543457
Energy: 0.33335060624502644
Energy: 0.4657789715824139
Energy: 0.12283784330285225
Energy: 0.12350050460451897
Energy: 0.2740547178777641
Energy: 0.12246664279197869
Energy: 0.12292820482576229
Energy: 0.5964886445978743
Energy: 0.14949513192322775
Energy: 0.148513221596787
Energy: 0.3344432717266473
Energy: 0.27080988483664864
Energy: 0.2968432949263463
Energy: 0.6191842150193904
Energy: 0.09085888668382602
Energy: 0.07688908581018243
Energy: 0.12851541927010032
Energy: 0.09033237146877691
Energy: 0.07675971569446505
Energy: 0.41822621550121347
Energy: 0.06154507542141227
Energy: 0.05633045010230104
Energy: 0.23510068593812292
Energy: 0.07740750797975031
Energy: 0.20251662348771804
Energy: 0.3378274265579614
Energy: -0.21880929990516276
Energy: -0.22266534970967636
Energy: -0.22129176926507396
Energy: -0.21613982185864755
Energy: -0.22038859348914017
Energy: 0.36714402581066014
Energy: -0.22264617098308498
Energy: -0.22026089550827413
Energy: -0.22139334749203166
Energy: -0.22085526356587556
Energy: -0.21861242632317088
Energy: 0.37070746711421093
Energy: -0.2204781572239582
Energy: -0.21934376739932945
Energy: -0.21994900510152285
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Energy: -0.21945037879420473
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Energy: 0.056877748663958366
Energy: 0.06219076102397788
Energy: 0.07591192648885721
Energy: 0.05692214026344394
Energy: 0.06076096887659143
Energy: 0.4124225910757816
Energy: 0.07674030064487201
Energy: 0.07731310168147812
Energy: 0.09027867109947976
Energy: 0.10317136887560188
Energy: 0.07677532810629509
Energy: 0.402138094149247
Energy: 0.3010341048319698
Energy: 0.2974362268834355
Energy: -0.5278795943146678
Energy: 0.14793329265945349
Energy: 0.29670496106372896
Energy: 0.4026870175088867
Energy: 0.27157552587534306
Energy: 0.2532079974223195
Energy: -0.5275239720968637
Energy: 0.27359712534286384
Energy: 0.27282083556287384
Energy: 0.6669479020097953
Energy: 0.25351570592525935
Energy: 0.36671290493975617
Energy: 0.31436645087533616
Energy: 0.27360464757073266
Energy: 0.3338811040495769
Energy: 0.7355183355414365
Energy: 0.3655926798850707
Energy: 0.4681017105624903
Energy: 0.4660074009258274
Energy: 0.38711827828245515
Energy: 0.467778930266825
Energy: 0.6718999376096134
Energy: 0.2716445358785166
Energy: 0.3335452316245858
Energy: 0.29966959973781093
Energy: 0.2732082271733519
Energy: 0.30079462386617445
Energy: 0.5662256989757724
Energy: 0.2719902693354651
Energy: 0.4276187029208416
Energy: 0.3962098586987343
Energy: 0.27183228707977725
Energy: 0.4416634891601023

minimum gb energy = -0.5278795943146678 eV
minimum distance =  2.39362245575687 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.7421630465201221
Energy: 0.44711511698463097
Energy: 0.40449381141578755
Energy: 0.30995343455793434
Energy: 0.38265836037819334
Energy: -0.05201142733777812
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Energy: 0.3322050974744391
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Energy: 0.7359181710629854
Energy: 0.3179183351434058
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Energy: 0.7094331522060732
Energy: 0.1558152768025751
Energy: 0.1510533621494476
Energy: 0.20876487115664544
Energy: 0.2878979178562337
Energy: 0.15129039581970932
Energy: 0.6767133378069027
Energy: 0.03390699387773136
Energy: 0.2817166518193805
Energy: 0.21454898791332933
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Energy: 0.03434819630953068
Energy: 0.6777851356240051
Energy: -0.036680240823720595
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Energy: 0.07510889557842547
Energy: 0.17209521669687794
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Energy: 0.3693926107960292
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Energy: 0.003646924860314912
Energy: 0.7074651513208946
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Energy: 0.24984598753995554
Energy: 0.31296443905866067
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Energy: 0.24724065733647327
Energy: 0.6671192353624515
Energy: 0.16535299856223934
Energy: 0.18597781440737682
Energy: 0.38562808492812295
Energy: 0.16501277928948957
Energy: 0.2721849036385108
Energy: 0.6793108844359793
Energy: -0.0025117000781496217
Energy: 0.28712333171724275
Energy: 0.03838755437904755
Energy: 0.18760823783936678
Energy: 0.35725606346229377
Energy: 0.501183551606939
Energy: -0.6861934832007496
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Energy: 0.10513587107086883
Energy: -0.6938677501145405
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Energy: -0.04458399833309983
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Energy: 0.044945288069004094
Energy: 0.5458926735067603
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Energy: 0.5277284105263593
Energy: 0.11329349321991156
Energy: 0.10278012877409223
Energy: 0.11087503901414422
Energy: 0.09756158650370655
Energy: 0.1039337326213736
Energy: 0.6566841253733736
Energy: -0.0658430008024981
Energy: 0.09113747154174544
Energy: -1.2874941882290711
Energy: -0.06779803563558645
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Energy: 0.6712784443000949
Energy: 0.5352588158954074
Energy: 0.5391994820412837
Energy: 0.16126691936383422
Energy: 0.09423108124301306
Energy: 0.2153292517322061
Energy: 0.7393500580264822
Energy: 0.05147150403669696
Energy: -0.09530669683055579
Energy: 0.1606945015191369
Energy: 0.16204677089187372
Energy: 0.14444019086435322
Energy: 0.6169133947952852
Energy: 0.16527453921503155
Energy: 0.16445247884795075
Energy: 0.24014031449427506
Energy: 0.1454777981127633
Energy: 0.15288476950607024
Energy: 0.6816799212444656
Energy: 0.2187108378460357
Energy: 0.26120784551827164
Energy: 0.09561895326849333
Energy: 0.2184441734801374
Energy: 0.2836166676632628
Energy: 0.778629533743152
Energy: 0.22895340605249176
Energy: 0.26638230943707525
Energy: 0.26580553257747513
Energy: 0.32608596797492423
Energy: 0.23237612478135625
Energy: 0.594196527189257
Energy: 0.06600081273041598
Energy: 0.10406941904830758
Energy: 0.25791408731089077
Energy: -0.6277185525349649
Energy: 0.06949011775350639
Energy: 0.6054800983393538
Energy: 0.2668111297978568
Energy: 0.38949706555328684
Energy: 0.18903981104105433
Energy: 0.2850885893690502
Energy: 0.38226857503197176
Energy: 0.7254840545694552
Energy: 0.270373807800757
Energy: 0.41572332540524587
Energy: 0.05433290159225504
Energy: 0.2850957421358461
Energy: 0.27860639389425623
Energy: 0.7070866940341727
Energy: 0.3008518933163016
Energy: 0.41505615697361514
Energy: 0.08866579899453367
Energy: 0.2892955142965724
Energy: 0.38255432477861095
Energy: 0.7349749736486487
Energy: 0.4186426498009489
Energy: 0.3427695692471703
Energy: 0.08080887378845591
Energy: 0.23560140774732424
Energy: 0.08389367017590514
Energy: 0.7338959233337333
Energy: 0.2601586238221891
Energy: 0.3265810381446865
Energy: 0.2998831410421694
Energy: 0.3268525869432315
Energy: 0.373340339937117

minimum gb energy = -1.2874941882290711 eV
minimum distance =  2.28227833750701 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.690558509627264
Energy: 0.30974368209895403
Energy: 0.3439494663912585
Energy: 0.26721554051964114
Energy: 0.4519924827670968
Energy: -0.0649313878015624
Energy: 0.6453845668791545
Energy: 0.2529448846878589
Energy: 0.25341352894598035
Energy: 0.23346498041734987
Energy: 0.2604483451398631
Energy: 0.24411884041501813
Energy: 0.7078968429021771
Energy: 0.1268485253279943
Energy: 0.09146789202385307
Energy: 0.3500582153052157
Energy: -0.17047761655959454
Energy: 0.06602528497951594
Energy: 0.6287998243773902
Energy: 0.22628537212959304
Energy: 0.033093174756958374
Energy: 0.25851287156078645
Energy: 0.2333942015528079
Energy: 0.03261594722690387
Energy: 0.6159740048550969
Energy: 0.018014879614473223
Energy: 0.01789674696236348
Energy: -0.01641697636140378
Energy: 0.017433028308267966
Energy: 0.018312424804171765
Energy: 0.5212689725404509
Energy: 0.04238610618993598
Energy: -0.16564400701946713
Energy: 0.07136672045967267
Energy: 0.027502634460762697
Energy: -0.0006516862531659738
Energy: 0.5429765172721527
Energy: 0.23100720583015538
Energy: 0.133621134606312
Energy: 0.19499689181868454
Energy: 0.027522144869663534
Energy: 0.15033979171902104
Energy: 0.5426137831636174
Energy: -0.16488850802958718
Energy: 0.2140892413772802
Energy: 0.0030023296774625463
Energy: -0.1649019125047584
Energy: 0.26313400521516045
Energy: 0.5432460132506448
Energy: 0.21482010222547288
Energy: -0.1272135058837559
Energy: -0.38211359803246786
Energy: 0.20963132738885665
Energy: -0.35378676155227234
Energy: 0.5986125313267843
Energy: -0.05367203785653532
Energy: -0.06465599939652408
Energy: 0.17617732567735303
Energy: -0.15499385185134226
Energy: -0.1809567632989737
Energy: 0.5219030668216935
Energy: -0.18058304842145795
Energy: -0.18054233431732258
Energy: -0.11391974238675046
Energy: -0.178328015422782
Energy: -0.18002397989434007
Energy: 0.532070647501452
Energy: -0.17882296476608758
Energy: -0.176921139189757
Energy: -0.17045511289417467
Energy: 0.3399297770986051
Energy: -0.1688142472438187
Energy: 0.4295289392556341
Energy: 0.3945150092552413
Energy: -0.178696392269157
Energy: -0.17790496220796004
Energy: -0.15835888368183879
Energy: -0.1764335775278392
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Energy: -0.16515818749672326
Energy: -0.1654605668312566
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Energy: 0.19064260209190015
Energy: 0.38806623619185815
Energy: 0.5186870236348557
Energy: -0.18082022035814527
Energy: -0.18001002328794027
Energy: 0.3842751198294357
Energy: -0.08348955905009808
Energy: -0.18087446319919218
Energy: 0.5469092599744854
Energy: 0.14877480705524856
Energy: -0.08005082308626647
Energy: -0.03565136670212996
Energy: 0.16925084631105472
Energy: -0.05411843363571181
Energy: 0.4212835552014421
Energy: 0.11384030928592209
Energy: -0.17585337790139724
Energy: -0.11516262058396674
Energy: 0.1875566298789229
Energy: -0.17392201261547713
Energy: 0.5357858073268045
Energy: 0.050124282140741064
Energy: -0.17571050450375428
Energy: 0.016860595457704134
Energy: 0.12672895234811915
Energy: -0.1738257009881843
Energy: 0.6235370397709692
Energy: 0.1698837733310156
Energy: 0.2305680201161831
Energy: 0.05221055045896027
Energy: -0.0260371873529959
Energy: 0.17827166723827892
Energy: 0.6095312575300804
Energy: -0.049269420549757546
Energy: 0.20698157749239166
Energy: 0.01778245191352919
Energy: 0.15209045172006
Energy: 0.0183492623091934
Energy: 0.5861339128178406
Energy: 0.018327940503634194
Energy: 0.018203160291612154
Energy: 0.01784134928595575
Energy: 0.21980097395809567
Energy: 0.017553602195683842
Energy: 0.5332223435819444
Energy: 0.22814078630186382
Energy: 0.07762260264269893
Energy: 0.15249628653395383
Energy: 0.21958688239449817
Energy: 0.0791785538981535
Energy: 0.6227322971319869
Energy: 0.22055798500176885
Energy: 0.22730011884281362
Energy: -0.03211144216111691
Energy: 0.23753892937193258
Energy: 0.22674206196891894
Energy: 0.6058521053281797
Energy: 0.07859570132519988
Energy: 0.24629149571650896
Energy: 0.0180606174236723
Energy: -0.027992929443074268
Energy: 0.11005380036982021
Energy: 0.7095576361184371
Energy: 0.08568670424704598
Energy: 0.294722513494382
Energy: 0.30597820492915345
Energy: -0.05921512481916117
Energy: 0.1322738429773299
Energy: 0.6466323159035227
Energy: 0.23325005378590383
Energy: 0.22168168401008467
Energy: 0.2566454724704497
Energy: 0.23170856800350073
Energy: 0.2446904585985217
Energy: 0.5369502049302461
Energy: 0.23683976712577454
Energy: -0.00048665929752583667
Energy: 0.12865560813352922
Energy: 0.22632083538032743
Energy: -0.16396673104902273

minimum gb energy = -0.38211359803246786 eV
minimum distance =  2.3350764073206 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.47041477279859834
Energy: 0.2864488136233287
Energy: 0.05237636126860281
Energy: 0.31981435261188546
Energy: 0.18607836574542105
Energy: 0.1668722580625488
Energy: 0.6731943732695005
Energy: 0.09980548636336697
Energy: 0.048452398838915264
Energy: 0.10304647987360403
Energy: 0.0998302052543384
Energy: 0.08373272910791252
Energy: 0.584960972311561
Energy: 0.22393137497248733
Energy: 0.18532335201576217
Energy: 0.07520531709287184
Energy: 0.2483990473034296
Energy: 0.13807717145325277
Energy: 0.5947473506396402
Energy: 0.03849196342828017
Energy: 0.12380702437194607
Energy: 0.06141125578706472
Energy: -0.5341891823801944
Energy: 0.09384405853770103
Energy: 0.4587594795657912
Energy: 0.09136142471028358
Energy: 0.13679058468370955
Energy: 0.17809685264785824
Energy: 0.045625903329634766
Energy: 0.09954647105272801
Energy: 0.44809142343549585
Energy: 0.08363073620782165
Energy: 0.032874521608033426
Energy: 0.2178106096793815
Energy: 0.07547485600873625
Energy: 0.18694118783447972
Energy: 0.5625323857025718
Energy: 0.21801661293576574
Energy: -0.3212991206420749
Energy: 0.058174604116327584
Energy: 0.2174698298848572
Energy: 0.05842996960728343
Energy: 0.6387535046807313
Energy: 0.19576415344478423
Energy: -0.616912178159406
Energy: 0.07548144655633125
Energy: 0.16308302797470076
Energy: -0.5990712527380792
Energy: 0.49460597123261796
Energy: -0.7241123177832614
Energy: 0.07280762059257506
Energy: -0.1076353585682203
Energy: 0.005128934738141188
Energy: 0.17881228408408964
Energy: 0.47460907380735906
Energy: 0.16542524391867486
Energy: 0.1722267694649246
Energy: 0.05330333728176931
Energy: 0.18156162487081207
Energy: 0.17328894030036196
Energy: 0.44324065217957803
Energy: 0.0863226825780099
Energy: 0.03618477023455455
Energy: 0.0380783234223585
Energy: 0.03378711448368294
Energy: 0.19065087482469395
Energy: 0.4809221080809056
Energy: 0.1464478616847228
Energy: 0.17273745862981035
Energy: 0.17072721234936336
Energy: 0.16050670713362952
Energy: 0.14490259986887374
Energy: 0.4809051071567586
Energy: 0.27494539583261385
Energy: 0.12708959214315246
Energy: 0.08972524641662717
Energy: 0.2077503073401531
Energy: 0.018625165082050033
Energy: 0.44981855722478203
Energy: 0.11443453495247526
Energy: 0.30597697733643603
Energy: 0.32840163763738434
Energy: 0.05854044893168319
Energy: 0.30546133834207023
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Energy: 0.04697778233094542
Energy: 0.04721517640139285
Energy: 0.14446584451485026
Energy: 0.1632862207362857
Energy: 0.054329427987605865
Energy: 0.47350351427053405
Energy: 0.29598324422231825
Energy: 0.27477788847693746
Energy: 0.0468134646096429
Energy: 0.3238705957683127
Energy: 0.0472409414796435
Energy: 0.5112905867711502
Energy: 0.31607840877069365
Energy: 0.2774064274969258
Energy: 0.06297034005174867
Energy: 0.32421884702890064
Energy: 0.06299458144972385
Energy: 0.44295283677716835
Energy: 0.2755059846993834
Energy: 0.059323677095566865
Energy: 0.29101720261659597
Energy: 0.27349485569406273
Energy: 0.06210754179327715
Energy: 0.4451423534324016
Energy: 0.30504087707120775
Energy: 0.3136201655712482
Energy: 0.32532732426541905
Energy: 0.15614761235819638
Energy: 0.3132068126241169
Energy: 0.44312121300436963
Energy: 0.272191738915596
Energy: 0.06412273080756609
Energy: 0.27525705975701953
Energy: 0.2730337222906604
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Energy: 0.515709849829729
Energy: 0.09692078470149995
Energy: 0.2713493301015005
Energy: 0.05860503253269676
Energy: 0.14824365254282776
Energy: 0.0593809960958094
Energy: 0.44701516284612003
Energy: 0.1695274247945304
Energy: 0.1867397868639348
Energy: 0.06500349654559795
Energy: 0.17599526044790395
Energy: 0.069211075578127
Energy: 0.4583535340558513
Energy: 0.07644731851890772
Energy: 0.06817045486570192
Energy: 0.15934594516456896
Energy: 0.19059309633835045
Energy: 0.07208055449967457
Energy: 0.4623252089145709
Energy: 0.17109840835457513
Energy: -0.5437033533094933
Energy: -0.4311569561925118
Energy: 0.06858369722243311
Energy: -0.4411382319920277
Energy: 0.44902524785024084
Energy: 0.1964319573724241
Energy: 0.08874876256904202
Energy: 0.19009160081764384
Energy: 0.18518728811331903
Energy: 0.07201061417018698
Energy: 0.4516644580742436
Energy: -0.28607015026060406
Energy: 0.18208500509108053
Energy: 0.21419445047469046
Energy: 0.02082485830839287
Energy: 0.19786782172903522
Energy: 0.4456329140275643
Energy: 0.014758982364339757
Energy: 0.07563876184176718
Energy: 0.0968673522449015
Energy: 0.04227473537951627
Energy: 0.18814146012579566
Energy: 0.4523297263646291
Energy: 0.07567640724233099
Energy: 0.060107570554656896
Energy: 0.17367856830893214
Energy: 0.07673801081113797
Energy: 0.060061666829708434
Energy: 0.5404592994300428
Energy: -0.0553163783771124
Energy: 0.08842603422008696
Energy: 0.1002120110816574
Energy: 0.10065614352539912
Energy: 0.09329819116470861
Energy: 0.6602630872367031
Energy: 0.20451375727072316
Energy: -0.5332987757212051
Energy: 0.041459644555048546
Energy: 0.19004466150267055
Energy: -0.5685278506728526
Energy: 0.6455831590081068
Energy: 0.19990542002023612
Energy: 0.24514304077794857
Energy: 0.14693753510546068
Energy: 0.19947473565378604
Energy: 0.08730894549711869
Energy: 0.45380650370161224
Energy: 0.1054555176037079
Energy: 0.07403009163524646
Energy: 0.21830275343106814
Energy: 0.1164506762294968
Energy: 0.18117456055351552
Energy: 0.47173885429955464
Energy: 0.1308238163337472
Energy: 0.18020712485886634
Energy: 0.1843351501158664
Energy: 0.1251377358321292
Energy: 0.09802220005961687
Energy: 0.6460112683193493
Energy: 0.0017127725980322162
Energy: 0.22407561783610527
Energy: 0.034237331588145424
Energy: 0.2512820608576047
Energy: 0.11771341088302222
Energy: 0.5894796808576734
Energy: 0.23089627000253934
Energy: 0.21601352486418765
Energy: 0.03849677472971458
Energy: 0.23460364959866278
Energy: 0.21529124837694083
Energy: 0.6536626020532519
Energy: 0.15586279048674012
Energy: 0.11594884596665711
Energy: 0.10323943997711212
Energy: 0.12331122243246524
Energy: 0.07640521064992392

minimum gb energy = -0.7241123177832614 eV
minimum distance =  2.38768125681834 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -0.03460663426230574
Energy: -0.033409509438141194
Energy: -0.03378402004870679
Energy: -0.03260097611135538
Energy: -0.03170351727819656
Energy: -0.03395464864251169
Energy: -0.005399308740163106
Energy: -0.033621039867562263
Energy: -0.03353181688986642
Energy: -0.0055592777556169645
Energy: -0.030892508589572112
Energy: -0.03371477558619787
Energy: -0.0071728330544394
Energy: -0.03377577467717306
Energy: -0.03389492767995372
Energy: -0.0072346040126626526
Energy: -0.03374185456677839
Energy: -0.006704687681501645
Energy: -0.03081537465503479
Energy: -0.03389833280206175
Energy: -0.033781466266531536
Energy: -0.02989144944034863
Energy: -0.03389916479932199
Energy: -0.006345769783775209
Energy: -0.006801168820070325
Energy: -0.007063479543547375
Energy: -0.006894478979224397
Energy: -0.005961899905207516
Energy: -0.007073876717581931
Energy: -0.005405305469783799
Energy: -0.03329489755498085
Energy: -0.03355411813911924
Energy: -0.03392039190653363
Energy: -0.031839064101607535
Energy: -0.03360963213048109
Energy: -0.03383288006264972
Energy: -0.004226301624639927
Energy: -0.03368917539316318
Energy: -0.033584921593930644
Energy: -0.006657553243717217
Energy: -0.03357364525322316
Energy: -0.03347311110483171
Energy: -0.004756406664177787
Energy: -0.03400998481289219
Energy: -0.03389472428265551
Energy: -0.006986332022840472
Energy: -0.03398815474760047
Energy: -0.006140523135325684
Energy: -0.03268951546299351
Energy: -0.03386923232332821
Energy: -0.0050560523587524706
Energy: -0.032164783717313586
Energy: -0.0338366695189522
Energy: -0.005281117489146892
Energy: -0.03386896899855997
Energy: -0.007006820118661644
Energy: -0.006762564132646646
Energy: -0.03344876374942412
Energy: -0.007114342780923859
Energy: -0.00673017446211339

minimum gb energy = -0.03460663426230574 eV
minimum distance =  2.5293049989266 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.45971617526429265
Energy: 0.3756225599104763
Energy: -0.4969640252655921
Energy: 0.280162742640952
Energy: 0.37348538783530366
Energy: -0.5638043075952127
Energy: 0.4441583194498401
Energy: 0.3516248653257241
Energy: 0.343160651347392
Energy: 0.3229633328823953
Energy: 0.3523175132934105
Energy: 0.32799332529198993
Energy: 0.38341063998643465
Energy: -1.020398819084162
Energy: -0.8304839972032911
Energy: 0.34573822934298964
Energy: -0.9099150028655697
Energy: 0.34169041483361384
Energy: 0.47422811209973964
Energy: -0.9799247198686617
Energy: -0.9304179502321623
Energy: 0.41769542304634316
Energy: -0.6063579786364525
Energy: 0.33856038176330305
Energy: 0.3858185797460909
Energy: 0.34514752553233485
Energy: 0.34327933423003687
Energy: 0.3776436853699354
Energy: 0.3494919002102093
Energy: 0.3296771653538761
Energy: 0.3318760764592483
Energy: 0.3509100220965089
Energy: -0.5813108106587035
Energy: 0.36912636953422934
Energy: 0.34426336629726323
Energy: -0.8412641493457799
Energy: 0.4836534716823567
Energy: 0.43075910127807254
Energy: 0.344651929875329
Energy: 0.4814017485565456
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Energy: 0.345791547662464
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Energy: 0.37284411695238073
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Energy: 0.3459800909361052
Energy: 0.36794732186091317
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Energy: 0.3509737462366638
Energy: 0.3448923536704872
Energy: 0.35258263992269673
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Energy: 0.43965933915885175
Energy: 0.3998161535599387
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Energy: 0.34815128427321296
Energy: 0.3475617540524944
Energy: 0.38292555984123655
Energy: 0.40813412597026616
Energy: 0.3491954168635824
Energy: 0.3561425647352423
Energy: 0.321805479531192
Energy: -1.0733018798176348
Energy: 0.34612206853116867
Energy: -0.7756714451352478
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Energy: 0.3792545329496684
Energy: -0.6076138112548068
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Energy: 0.36202603402588884
Energy: 0.4221149615018816
Energy: 0.37360354466974127
Energy: 0.4168403408646351
Energy: 0.34017628194826194

minimum gb energy = -1.1596574775118673 eV
minimum distance =  2.36945848219814 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.43214460512148845
Energy: -0.7390272434816023
Energy: -1.8710044644882091
Energy: -0.8948824461751833
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Energy: -0.7908954815288042
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Energy: 0.4165906655229768
Energy: -2.0799639871954665
Energy: 0.37829978053417485
Energy: -1.1207045489311278
Energy: -1.437610102219123
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Energy: -0.826858973079856
Energy: -1.0086207394795026
Energy: 0.4246400940960002
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Energy: -1.2508776872740084
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Energy: -1.8878845921704748
Energy: -0.8167850646374509
Energy: 0.43643446713985434
Energy: 0.3684794163307937
Energy: -1.5625075714075447
Energy: -0.7878485417641434
Energy: -1.7051024993488262
Energy: -1.1573033249497104
Energy: 0.5112328888116896
Energy: -1.7469366078432396
Energy: 0.37215117124113045
Energy: -0.7312774616158699
Energy: -0.9976994014578583
Energy: -1.1529027516786035
Energy: 0.634536253317115
Energy: 0.483185231105404
Energy: -0.8033164820468461
Energy: -1.602608240038409
Energy: 0.5396444288172637
Energy: -1.0680973317252282

minimum gb energy = -2.395140475663151 eV
minimum distance =  2.35252421862955 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.31767553438371915
Energy: -0.8170441092906034
Energy: 0.4764766465568581
Energy: -1.5192282354761897
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Energy: -1.743653415648458
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Energy: -1.1643627853648593
Energy: 0.6987932149106316
Energy: 0.5046538088659485
Energy: 0.49844845490581396
Energy: -0.2804144003892977
Energy: -0.23004625696391015
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Energy: -1.2298602438861077
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Energy: -0.1591133087005586
Energy: 0.4718440036878629
Energy: -1.0523263645611927
Energy: -0.05269241672616617
Energy: -1.23145036630299

minimum gb energy = -2.610093100677851 eV
minimum distance =  2.36009331739851 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

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Energy: 0.6719948747502944
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Energy: 0.6867499490782916
Energy: 0.6613652518895814
Energy: 0.6401127309113532
Energy: 0.6868255200338204
Energy: 0.6610510362090564

minimum gb energy = -0.9268266197102973 eV
minimum distance =  2.37936469331667 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.8801308569453893
Energy: -0.15508326015613905
Energy: 0.8315300122794598
Energy: 0.554697729027222
Energy: 0.12620446673531574
Energy: 0.9086093707233853
Energy: 1.1730736925500533
Energy: -0.28555516355567767
Energy: -1.846564921401972
Energy: 0.7405372669036165
Energy: -0.628610069373035
Energy: 0.8166055987534372
Energy: 1.1936181161834885
Energy: 0.8188706531669838
Energy: 0.8178412101516205
Energy: 0.823802894194586
Energy: 0.8204803029986889
Energy: 0.8209633936493786
Energy: 0.9014197879691532
Energy: 0.8227034500531275
Energy: 0.7962200648597212
Energy: 0.7887432712740104
Energy: 0.8235716383484802
Energy: 0.7954856563638817
Energy: 0.9166394887833866
Energy: 0.8290829334110548
Energy: 0.828502771792673
Energy: 0.47066271257197234
Energy: 0.8119557276979601
Energy: 0.8284255446033929
Energy: 0.902161805106165
Energy: 0.831303365716502
Energy: 0.8314584910812373
Energy: 0.828206969445181
Energy: 0.831184488063018
Energy: 0.832411211912473
Energy: 0.931368864169656
Energy: 0.8295521436541056
Energy: 0.832661178702179
Energy: 0.8282692566127152
Energy: 0.826336634710752
Energy: 0.8232227834053124
Energy: 1.021130671023006
Energy: 0.828647138161925
Energy: 0.8284489357916307
Energy: 0.7755670569618869
Energy: 0.8200610363872255
Energy: 0.8287681417151693
Energy: 0.8941082535884028
Energy: 0.8232931957548396
Energy: 0.8216875549989394
Energy: 0.824931521466196
Energy: 0.8264201066053432
Energy: 0.8231356301420653
Energy: 0.892341005506017
Energy: 0.7939174681678629
Energy: 0.7945044811421035
Energy: 0.824649085801659
Energy: 0.7868892683042814
Energy: 0.823230281868559
Energy: 0.976395321950858
Energy: -0.3820521476330377
Energy: 0.1967724001127087
Energy: -0.3164668911917188
Energy: 0.501449608385875
Energy: 0.8313771204404617
Energy: 0.9134565495395428
Energy: -0.5608989356086694
Energy: 0.7984807412236428
Energy: -1.3343967713757132
Energy: 0.8003373889351366
Energy: 0.8026005122332698
Energy: 0.9152516287886856
Energy: 0.07998233482767411
Energy: 0.7937525979019622
Energy: 0.8173372301331283
Energy: 0.4621407130308736
Energy: -0.5338497438325773
Energy: 0.8891738131857244
Energy: 0.8279306822734557
Energy: 0.8280968173724564
Energy: 0.8217073862094484
Energy: 0.8188333785596754
Energy: 0.8280736821761436
Energy: 0.916704025485308
Energy: 0.8304548725750509
Energy: 0.8281821201488495
Energy: -0.8506793588277911
Energy: 0.8286335747827743
Energy: 0.8275733422072271
Energy: 0.9733213915300883
Energy: 0.8312240705508895
Energy: 0.8299581026692588
Energy: 0.7520021966015177
Energy: 0.8288263288909239
Energy: 0.8299648320320295
Energy: 0.9578755126742312
Energy: 0.8306956908668871
Energy: 0.8294022412212562
Energy: 0.8426863712506244
Energy: 0.8304875567548201
Energy: 0.8293942442969802
Energy: 0.8782382215729923
Energy: 0.7949725100031348
Energy: 0.835370826487966
Energy: 0.8457337076505587
Energy: 0.7963009335833612
Energy: 0.8393154688418772
Energy: 0.9242080013724416
Energy: 0.8301753853027964
Energy: 0.8293908999386662
Energy: 0.793380516837532
Energy: 0.8292772708074118
Energy: 0.8289197648436005
Energy: 0.9086593257651536
Energy: 0.818450350861149
Energy: 0.8177746305617873
Energy: 0.8192733739795116
Energy: 0.8217595850774522
Energy: 0.8027845958676376
Energy: 1.0731281818642335
Energy: 0.8233772249473341
Energy: 0.7523833209259968
Energy: 0.028906068814493133
Energy: -0.9684006834047165
Energy: 0.7969664964821377
Energy: 0.9411426130725449
Energy: 0.7964635159983826
Energy: 0.7949299186759406
Energy: 0.7717740203250789
Energy: -0.048850907644821674
Energy: 0.7571166499404928
Energy: 0.8795830846818634
Energy: 0.8375928237801077
Energy: 0.8114874428912638
Energy: 0.8108677466476906
Energy: 0.8389570658080544
Energy: 0.8336632254848431
Energy: 1.098569122271055
Energy: 0.5114110012873693
Energy: 0.8296899289419433
Energy: 0.8063665270097405
Energy: 0.8618362026123325
Energy: 0.8302000861843039
Energy: 0.9428314320839982
Energy: 0.8594069824767965
Energy: 0.8440020260955009
Energy: 0.7244191242758444
Energy: 0.8335044788423868
Energy: 0.8268189496317546
Energy: 0.9113083735864549
Energy: -0.6606108836932284
Energy: 0.8282460921298631
Energy: 0.8301267265667511
Energy: -0.5338003543595405
Energy: 0.8284866751478327
Energy: 0.9149759690657359
Energy: 0.8304109797053438
Energy: 0.8296904522215541
Energy: 0.8278352743991451
Energy: 0.8123229468592768
Energy: 0.8292477490711158
Energy: 0.9104113179621443
Energy: 0.8433430231400277
Energy: 0.8276033058514368
Energy: 0.827931244988059
Energy: -0.1834057271551781
Energy: 0.8272974783623036
Energy: 0.9237447110071401
Energy: 0.8230694357192702
Energy: 0.8221649519445465
Energy: -0.49167246173367274
Energy: 0.8215883977514133
Energy: 0.8211928030658502
Energy: 1.1911116847832803
Energy: 0.7656504001691997
Energy: 0.8495332227207436
Energy: 0.734133161948149
Energy: 0.7719102599895884
Energy: 0.8305063003126738
Energy: 0.8564140847333483
Energy: 0.8453914320084355
Energy: 0.8428810902379209
Energy: 0.8054295047597725
Energy: 0.8144005530606575
Energy: 0.8418154858495871

minimum gb energy = -1.846564921401972 eV
minimum distance =  2.34595100955896 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.638013969266941
Energy: 0.9624948728333125
Energy: 0.9547529558844509
Energy: 0.9548175077437775
Energy: 1.017223419761566
Energy: 0.9533528772607058
Energy: 1.2010687144164414
Energy: 0.9647787224265385
Energy: 0.9649715559862195
Energy: 0.9631147396683819
Energy: 0.9661908526451763
Energy: 0.9238727604580393
Energy: 1.213527439088642
Energy: 0.9041464387973461
Energy: 0.9032593539344973
Energy: 1.0164999089680784
Energy: 0.9055731515083275
Energy: 0.9671523211180987
Energy: 1.0516197822005284
Energy: 0.9246212805840207
Energy: 0.9237306786366901
Energy: 0.9644579174805605
Energy: 0.9096844393548885
Energy: 0.9230451808765625
Energy: 1.02255898121672
Energy: 0.9245685331669552
Energy: 0.9217522004322813
Energy: 0.9635127787932902
Energy: 1.0173438569449202
Energy: 0.9206592242743316
Energy: 1.0508839441177187
Energy: 0.9691952942701877
Energy: 0.9245315679452155
Energy: 0.9270390764144727
Energy: 0.9632542383045058
Energy: 0.9234803856406436
Energy: 1.068320720774932
Energy: 0.9111480087175059
Energy: 0.9090566523147825
Energy: 0.9697495352402071
Energy: 0.9097241157819901
Energy: 0.9224768226134863
Energy: 1.1967185903403905
Energy: 0.9268496145547068
Energy: 0.922696011153338
Energy: 0.9639835643558717
Energy: 0.9272061378807467
Energy: 0.9231916830255205
Energy: 1.0892403506564143
Energy: 0.9654635108408138
Energy: 0.9101460180764404
Energy: 0.9115556102334846
Energy: 1.0151146687681378
Energy: 0.9092125829807559
Energy: 1.0898493521303836
Energy: 0.9658304454163588
Energy: 0.910280358355993
Energy: 0.9113562147269105
Energy: 1.0155391353980434
Energy: 0.9093349507943971
Energy: 1.1962943433410493
Energy: 0.9242840224086334
Energy: 0.9238378197640404
Energy: 0.9640219101971026
Energy: 0.9271004876883738
Energy: 0.9246133695758834
Energy: 1.0520799567822932
Energy: 0.9035405731733703
Energy: 0.9026273543882406
Energy: 1.0158689763228144
Energy: 0.9053448129124935
Energy: 0.965943082648312
Energy: 1.0523608563712716
Energy: 0.9636927038468392
Energy: 0.9246254855301679
Energy: 0.9665430442854971
Energy: 0.9648373557598683
Energy: 0.9210768024013943
Energy: 1.0514822183189183
Energy: 0.9240245235548308
Energy: 0.9223716213334365
Energy: 0.9269888939031874
Energy: 0.9932916594099943
Energy: 0.9226157451778288
Energy: 1.0183790985618153
Energy: 0.9090528800841835
Energy: 0.920448011201323
Energy: 0.9281066910365937
Energy: 0.9094211787874347
Energy: 0.9200619748851936
Energy: 1.2006286639792385
Energy: 0.9114723210548668
Energy: 0.9103088802863583
Energy: 0.9263407041801023
Energy: 0.9084212011901848
Energy: 0.9231284906004662
Energy: 1.068279215770328
Energy: 0.9665151698634253
Energy: 0.9655627933113108
Energy: 0.9464621320255496
Energy: 0.9659943556785238
Energy: 0.9251404947369575

minimum gb energy = 0.9026273543882406 eV
minimum distance =  2.35841698002989 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.1087450426676728
Energy: 0.09124913921309594
Energy: 0.9619271890687575
Energy: 0.42981607790198734
Energy: 0.11844585374045134
Energy: 0.9609606876713414
Energy: 1.2374515553026197
Energy: 0.8477009409418471
Energy: 0.9324155010621635
Energy: -1.1061216691500169
Energy: 0.8993310510876875
Energy: 0.9096405033263887
Energy: 1.0669783062357465
Energy: -0.029352363415523858
Energy: 0.8962046793048768
Energy: 0.953823646618735
Energy: -0.022133114552529747
Energy: 0.8903379000819036
Energy: 1.038416053646894
Energy: 0.8998458581128733
Energy: 0.7685361302451621
Energy: 0.8388225820821678
Energy: 0.9222407588571075
Energy: 0.8854753105463893
Energy: 0.9965677324169071
Energy: 0.9078481034560552
Energy: 0.9315445075278505
Energy: -0.7152728146374214
Energy: 0.9132562905192478
Energy: 0.8697250895723138
Energy: 0.9966551795960961
Energy: 0.8209076278428027
Energy: 0.9093798827137061
Energy: 0.7723446486809137
Energy: 0.9061515768472321
Energy: 0.9095355679720836
Energy: 1.049700103851318
Energy: 0.882426995297366
Energy: 0.9516931126349023
Energy: 0.3197273784280337
Energy: 0.9138689077998021
Energy: 0.9529599478725942
Energy: 1.1319130683816223
Energy: 0.8635039007340873
Energy: 0.842771129534913
Energy: 0.06954715964154097
Energy: 0.8991378079272712
Energy: 0.8904928671519386
Energy: 1.0981906589176744
Energy: 0.8925225076465724
Energy: 0.9038727664949772
Energy: 0.9206091471841238
Energy: 0.9011680395302782
Energy: 0.8717989058934551
Energy: 1.0992895726915812
Energy: 0.8434467544752827
Energy: 0.8427456594629175
Energy: 0.9528453814601398
Energy: 0.868899976629958
Energy: 0.858797646716436
Energy: 1.128244740563144
Energy: 0.9149012864210577
Energy: 0.9554599615939438
Energy: 0.6677814881240103
Energy: 0.9268428893985814
Energy: 0.8847305724858647
Energy: 1.0640800667661996
Energy: 0.6885300975675702
Energy: -0.9414824593651465
Energy: 0.8930940093763504
Energy: 0.6854264977385344
Energy: 0.9089066469999518
Energy: 1.01696955005865
Energy: 0.824750504029719
Energy: 0.9170070528151153
Energy: 0.9661021496995243
Energy: 0.7468098082145913
Energy: 0.8828591057901166
Energy: 1.1595598801892748
Energy: 0.5312990981977708
Energy: 0.8884536550932939
Energy: 0.9640103780030045
Energy: 0.8913528817689743
Energy: 0.9613185689276084
Energy: 1.0610963125960238
Energy: -1.0201589001727724
Energy: 0.7147147544466929
Energy: -1.1055552009091107
Energy: 0.8996861707821787
Energy: 0.9423874059594249
Energy: 1.0113321682154666
Energy: 0.8751476317379028
Energy: 0.8615329370931566
Energy: -0.9939728996775425
Energy: 0.879814888702628
Energy: 0.8583309558242409
Energy: 1.0004623781549713
Energy: 0.2916053594602426
Energy: 0.2904305638768759
Energy: 0.8590108130643576
Energy: -0.9592351233438147
Energy: 0.8483817465579325
Energy: 1.0094274961708654
Energy: 0.8955386924422364
Energy: 0.8453982469544757
Energy: 0.2688331205570912
Energy: 0.8286357248814565
Energy: 0.9313032922157083
Energy: 1.0483822330102426
Energy: 0.7308916215147588
Energy: 0.7267422385713005
Energy: -0.9130667962728397
Energy: -0.8408578253218952
Energy: 0.8577735755032065
Energy: 1.0673232511483892
Energy: -0.1956434523428413
Energy: 0.9053054805349618
Energy: -0.11429322441057932
Energy: -0.21827496218601494
Energy: 0.8993663973842808
Energy: 1.0928438969270027
Energy: 0.933387324864747
Energy: 0.932031929041815
Energy: 0.9282707956677574
Energy: 0.9045452491441914
Energy: 0.9618575878621966

minimum gb energy = -1.1061216691500169 eV
minimum distance =  2.33189557171453 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.1750793759718303
Energy: 1.5895687506339757
Energy: 1.011017574575601
Energy: 1.0333765508461792
Energy: 1.5898069774239874
Energy: 1.0095530134026238
Energy: 1.2465076946050606
Energy: 0.9999699238939502
Energy: 0.9996635420724423
Energy: 0.9951748752901699
Energy: 1.001559305120263
Energy: 1.0217008618234174
Energy: 1.1350174538394775
Energy: 0.9996628110907596
Energy: 0.9993389735218823
Energy: 1.0384113296524256
Energy: 0.9993127103988722
Energy: 1.0076468917973325
Energy: 1.1074892505366831
Energy: 0.998780362796121
Energy: 1.0018844885061113
Energy: 0.9941606192593283
Energy: 0.9965862302017675
Energy: 1.0050092435859312
Energy: 1.0399984590914988
Energy: 1.0159524372487607
Energy: 1.0187683186869532
Energy: 0.9923483325820919
Energy: 1.0190279152071469
Energy: 0.999594967045069
Energy: 1.0748193113783764
Energy: 1.002235933527069
Energy: 1.002627025008435
Energy: 1.0043861145906932
Energy: 1.003094806080885
Energy: 1.003485407727027
Energy: 1.1191257293324575
Energy: 1.0028301818794974
Energy: 1.0051806949488298
Energy: 0.9952255765558897
Energy: 0.9933484965215191
Energy: 1.0063665045955108
Energy: 1.13491150156498
Energy: 0.9938224713095852
Energy: 1.0023746692761504
Energy: 1.0156218721234984
Energy: 0.9939607784191139
Energy: 1.0041908549184964
Energy: 1.2499455254365495
Energy: 1.0154779561294798
Energy: 1.0080565664621624
Energy: 0.9959548991271517
Energy: 1.0196340525036398
Energy: 1.0057077201936828
Energy: 1.2497295681188643
Energy: 1.0180346739397796
Energy: 1.0074061321145502
Energy: 0.9997976014921216
Energy: 1.0225874836129123
Energy: 1.0071900820742332
Energy: 1.135771572215882
Energy: 1.000999754874277
Energy: 1.0051688649936286
Energy: 1.017299092924639
Energy: 0.9926230056080885
Energy: 1.0095493657321497
Energy: 1.1348094486017144
Energy: 0.9968689630612878
Energy: 0.9954046637687671
Energy: 1.0024501342626544
Energy: 1.0001456915868099
Energy: 0.999089745560248
Energy: 1.0442681560291427
Energy: 1.0165332089328727
Energy: 1.006602897499959
Energy: 0.9952386563187876
Energy: 0.9959192918075079
Energy: 1.0040481511327664
Energy: 1.0384340096487386
Energy: 1.0144186574633138
Energy: 1.0106820295746035
Energy: 0.9929940344988274
Energy: 1.0184744718361791
Energy: 0.9971823695270469
Energy: 1.1375107123617942
Energy: 1.001142104305495
Energy: 1.0081501995345243
Energy: 1.0198958791234671
Energy: 0.9994040639015098
Energy: 1.0070706636726652
Energy: 1.11603425243178
Energy: 1.0052722078132947
Energy: 1.0056693671497932
Energy: 1.0195800746170784
Energy: 0.99969898556944
Energy: 1.00706554419915
Energy: 1.0425162475379828
Energy: 1.0269972988081701
Energy: 1.0045632163646887
Energy: 0.9929176686998299
Energy: 0.9986164490715086
Energy: 1.0015303827686042
Energy: 1.0498629370946675
Energy: 1.015412925899048
Energy: 1.0118400004425208
Energy: 0.996637767633466
Energy: 1.01176190864548
Energy: 1.0048509076254404
Energy: 1.1079864196907756
Energy: 0.9955769655611906
Energy: 1.0033538586951307
Energy: 1.020105856024906
Energy: 0.9937041465875263
Energy: 1.003087752936011
Energy: 1.137742988884823
Energy: 0.9955552630358563
Energy: 1.0001854342698835
Energy: 1.0202293988067836
Energy: 0.9936264305066691
Energy: 1.003216945094335
Energy: 1.245458619897928
Energy: 1.0160239803289326
Energy: 1.005121246423274
Energy: 0.995697946384233
Energy: 1.01577943462097
Energy: 1.0030461235279318
Energy: 1.0428589758702784
Energy: 1.016116754882672
Energy: 1.0086393444114448
Energy: 1.0004978476853326
Energy: 1.0202938841138574
Energy: 1.0062584592660686
Energy: 1.1359476727497189
Energy: 0.9969349401892812
Energy: 1.021051822434081
Energy: 1.0033918108818882
Energy: 0.9963863529970793
Energy: 0.9991270326765741
Energy: 1.1388081395423804
Energy: 0.9981984764377804
Energy: 0.998642463861361
Energy: 1.0214848946408053
Energy: 0.9961228604022415
Energy: 1.0097146329823241
Energy: 1.0383519821906046
Energy: 1.012510023219209
Energy: 1.010134799293947
Energy: 0.9928337203266911
Energy: 0.999123641943069
Energy: 0.9971247796277232

minimum gb energy = 0.9923483325820919 eV
minimum distance =  2.32058789995804 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.0501299321355042
Energy: 0.8547771831280914
Energy: 0.18240071304087846
Energy: 0.8867548150880094
Energy: 0.8287249317995314
Energy: 0.8568972136142478
Energy: 1.2369558207036193
Energy: 0.4578103349797753
Energy: 0.8560620685302357
Energy: 0.8386880756049022
Energy: 0.014700769041491379
Energy: 0.8335283786132199
Energy: 1.0304576920112885
Energy: 0.8848316976368883
Energy: 0.880356080621481
Energy: 0.7883888423794183
Energy: 0.8497566939638372
Energy: 0.8780468211121808
Energy: 1.0417132901494435
Energy: 0.8028499502877195
Energy: 0.8518139126500673
Energy: 0.8634764531820778
Energy: 0.8595275599301
Energy: 0.8433068638743679
Energy: 1.039075780862367
Energy: 0.6708404412878278
Energy: 0.7489227809951422
Energy: 0.8997240320093615
Energy: 0.10743154500914888
Energy: 0.8165489147320327
Energy: 1.0434559791161921
Energy: 0.6465919729191622
Energy: 0.8808315295786219
Energy: 0.2839679542036039
Energy: 0.8031695819252012
Energy: 0.8603579633374976
Energy: 1.0246818836146288
Energy: 0.897385867301695
Energy: 0.887496340050701
Energy: 0.6824594246524922
Energy: 0.8817048306617891
Energy: 0.8775781032425589
Energy: 1.0209479902948912
Energy: 0.8562217747407497
Energy: 0.803704854908921
Energy: 0.6449351015441428
Energy: 0.8657019337973347
Energy: 0.8067846153493549
Energy: 1.0468911643157417
Energy: 0.8493869086912804
Energy: 0.4660976556857244
Energy: 0.45569496612623384
Energy: 0.8858408996153819
Energy: 0.6933734007729361
Energy: 1.035864023087443
Energy: 0.8335112831647912
Energy: 0.8287010574740256
Energy: 0.8204520932396351
Energy: 0.832439817410148
Energy: 0.8563424157932928
Energy: 1.0046667168181629
Energy: 0.788393181510991
Energy: 0.8722171615747574
Energy: 0.8475946086454221
Energy: 0.8611410565390443
Energy: 0.8713795244177066
Energy: 1.1129186058823277
Energy: 0.8939174997337874
Energy: 0.8831863704909304
Energy: 0.7972453856727795
Energy: 0.8208916181663106
Energy: 0.8831246518382968
Energy: 1.0607387819899774
Energy: 0.9035762177295305
Energy: 0.8483383289781532
Energy: 0.8084817783386963
Energy: 0.21763362245109455
Energy: 0.8477537105049661
Energy: 1.1029624575154444
Energy: 0.40913089629465677
Energy: 0.7864516437226818
Energy: 0.899243188169398
Energy: 0.7099482877438715
Energy: 0.7864668960090594
Energy: 1.0095621683976552
Energy: 0.3005642223770939
Energy: 0.45470793850482866
Energy: 0.8413742785431729
Energy: 0.2351352791834162
Energy: 0.8653684300653234
Energy: 1.0918552535120858
Energy: 0.8806993960345358
Energy: 0.8750241315113
Energy: 0.8528682549742399
Energy: 0.6045738267238776
Energy: 0.8387973405032823
Energy: 1.0565162677264073
Energy: 0.8626340959228778
Energy: 0.8822564770744982
Energy: 0.8231819381928867
Energy: 0.8557158640139629
Energy: 0.8859448081392155
Energy: 1.0779154683109409
Energy: 0.8298565874682546
Energy: 0.8295690369953715
Energy: 0.9615810072624831
Energy: 0.8516782372388874
Energy: 0.8370197945319569
Energy: 1.0555534109334606
Energy: 0.8623084110916096
Energy: 0.862190812474507
Energy: 0.8475629353303918
Energy: 0.8443230070140524
Energy: 0.8664444082016468
Energy: 1.011010898324767
Energy: 0.8460478022968708
Energy: 0.8620798748208774
Energy: 0.8118640673472157
Energy: 0.8682616717356643
Energy: 0.8735277126801098
Energy: 1.0367800048451266
Energy: 0.8278650194333942
Energy: 0.8306246086725323
Energy: 0.41893754602539673
Energy: 0.8671350650018617
Energy: 0.956458555775818
Energy: 1.033584428467885
Energy: 0.8573443063139373
Energy: 0.84158609889299
Energy: 0.6979774836897514
Energy: 0.8432607911957541
Energy: 0.8877713509847817
Energy: 0.986301967088613
Energy: 0.3356938687844597
Energy: 0.843208171134542
Energy: 0.042440593965788816
Energy: -0.1842036282799528
Energy: 0.8742625190567006
Energy: 1.0108675028099112
Energy: 0.24873660167278666
Energy: 0.8591655309742984
Energy: 0.28026153952967114
Energy: 0.8987283457246187
Energy: 0.8447358964629563
Energy: 1.0709812394307534
Energy: 0.8422162349388341
Energy: 0.8617786176006536
Energy: 0.870084387988235
Energy: 0.8464830882938758
Energy: 0.8611858467177526
Energy: 1.0576485287529442
Energy: 0.8437967823168424
Energy: 0.861573248645927
Energy: 0.8217417450420721
Energy: 0.8362701883976561
Energy: 0.8613324535051268
Energy: 1.03021780736139
Energy: 0.8547158875690906
Energy: 0.847738849679108
Energy: 0.8299988329277647
Energy: 0.8211960725175684
Energy: 0.8379484145716809
Energy: 1.0441051724045398
Energy: 0.8125889941843997
Energy: 0.8155593207271975
Energy: 0.8783065661969355
Energy: 0.32910579475798457
Energy: 0.8476215960417339
Energy: 1.065493966619902
Energy: 0.31097791804406455
Energy: 0.36565534986685894
Energy: 0.9222599477843515
Energy: 0.29892152196252425
Energy: 0.885782554743022

minimum gb energy = -0.1842036282799528 eV
minimum distance =  2.3259755496694 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.0790433738332277
Energy: -0.18364434841811578
Energy: 0.8223032457695467
Energy: 0.876655115533749
Energy: -0.16662839172632227
Energy: 0.8671744513400326
Energy: 1.0281019172621633
Energy: -0.11526159715903522
Energy: 0.8458157554737409
Energy: 0.8514971440870692
Energy: 0.06490252802373475
Energy: 0.8491401339773792
Energy: 0.9857518928555771
Energy: 0.8484109669950789
Energy: 0.8459797420814574
Energy: 0.8414172911020702
Energy: 0.85128471917376
Energy: 0.8451272083983139
Energy: 0.9833776735683699
Energy: 0.8500493668865278
Energy: 0.8476752031291603
Energy: 0.8456632125716931
Energy: 0.852954006815691
Energy: 0.8415406086777669
Energy: 1.0107494224992843
Energy: 0.8459218180224324
Energy: 0.8480473068248356
Energy: 0.8389527035239189
Energy: 0.841347386636171
Energy: 0.8216426991693108
Energy: 1.0204909352078901
Energy: 0.8430903913812304
Energy: 0.8422118300662776
Energy: 0.15077170243757904
Energy: 0.843934065321577
Energy: 0.8423770137808051
Energy: 1.0449583707319303
Energy: 0.8476280139694635
Energy: 0.8436845551523617
Energy: 0.8288532307978422
Energy: 0.8494020100554038
Energy: 0.840504649275738
Energy: 1.0046776116730893
Energy: 0.8495227427710792
Energy: 0.8456420435955335
Energy: 0.06641197650073877
Energy: 0.8536558079880547
Energy: 0.840784617843536
Energy: 1.004058728035431
Energy: 0.8747924405053721
Energy: 0.8831595339194429
Energy: -0.18215179956083238
Energy: 0.8418213484128855
Energy: 0.8599120018612993
Energy: 1.0063441033462517
Energy: 0.8393074666938592
Energy: 0.8386845552840397
Energy: 0.8749928970459133
Energy: 0.8418242022085929
Energy: 0.8387243863092048
Energy: 1.0157016936937728
Energy: 0.8554884486217649
Energy: 0.8520058584823823
Energy: 0.8397004524174628
Energy: 0.8584640388696095
Energy: 0.8485900471997971
Energy: 0.9780976805287536
Energy: 0.8550570352893259
Energy: 0.847799206874253
Energy: 0.8607496554602277
Energy: 0.849013576778696
Energy: 0.8467042344006771
Energy: 1.0161950711687509
Energy: 0.8652989938649527
Energy: 0.8459763506461062
Energy: 0.8486916485624989
Energy: 0.8632152258622297
Energy: 0.8480101715740127
Energy: 1.0130070492157504
Energy: -0.27754646235738994
Energy: -0.28262356762557644
Energy: 0.8447764273678444
Energy: -0.10115143079227272
Energy: 0.8296268770982627
Energy: 0.9761177445363886
Energy: -0.036802348139346686
Energy: 0.8561221989656068
Energy: 0.8486516040740053
Energy: -0.21109827815038745
Energy: 0.8729163086421681
Energy: 0.9860515324831625
Energy: 0.8709718744490758
Energy: 0.8405746306866573
Energy: 0.8452033445426049
Energy: -0.26678506495505677
Energy: 0.841840587290724
Energy: 1.0139462024975108
Energy: 0.81194719213901
Energy: 0.8368297701310566
Energy: 0.8549902557037398
Energy: 0.813050620117074
Energy: 0.8508260693896103
Energy: 1.0406448145962455
Energy: 0.06231501206400742
Energy: 0.06241641471393363
Energy: 0.8558793660461931
Energy: 0.06272855923424389
Energy: 0.8359207529610839
Energy: 0.9869325682701529
Energy: 0.8503182036125005
Energy: 0.8478750762110611
Energy: 0.8404949276307101
Energy: 0.8509444845720806
Energy: 0.8442914366650417
Energy: 0.9775920815811302
Energy: 0.8505577759234539
Energy: 0.8481777808782474
Energy: 0.8467588019358828
Energy: 0.8517856040150633
Energy: 0.8481441850236389
Energy: 1.0103967540113379
Energy: 0.8442307548714646
Energy: 0.847339259580189
Energy: 0.836759810430996
Energy: 0.8444767545666638
Energy: 0.8350896170166395
Energy: 1.0194183024637422
Energy: 0.8436688491169416
Energy: 0.8462757712096914
Energy: -0.2099302308420521
Energy: 0.8781185358448991
Energy: 0.8481802057787516
Energy: 0.9975693228399973
Energy: 0.8699864207562213
Energy: 0.8666103523438787
Energy: -0.058616120114637314
Energy: -0.668014080208952
Energy: 0.8696451537721913
Energy: 0.9690906848112519
Energy: -0.6709138788224893
Energy: -0.46155432740328173
Energy: 0.833286663763927
Energy: 0.8566489357532514
Energy: -0.40658285375875086
Energy: 1.0038004148752167
Energy: 0.873979945538722
Energy: 0.8707758374352056
Energy: 0.8755380233346906
Energy: 0.8535695347594231
Energy: 0.8706225129528553
Energy: 1.0036481320791137
Energy: 0.8462518386449875
Energy: 0.8745064300503037
Energy: 0.8551698648235986
Energy: 0.8494393993994955
Energy: 0.8736903077292786
Energy: 1.0151452082920558
Energy: 0.8545734814345346
Energy: 0.853338683647854
Energy: 0.8434665355216532
Energy: 0.856068605605808
Energy: 0.8497386405439935
Energy: 0.9755677704914513
Energy: 0.8570206805546323
Energy: 0.8554252089370403
Energy: 0.8499462397656479
Energy: 0.8575061615082153
Energy: 0.848534011007287
Energy: 1.0184541117897123
Energy: -0.01642160372478788
Energy: 0.8718238770127681
Energy: 0.8448503785270775
Energy: -0.016486376077419474
Energy: 0.8706657825744459
Energy: 1.018583411988589
Energy: -0.01636797168093289
Energy: 0.8718425366443605
Energy: 0.847700678870751
Energy: 0.8426905992668359
Energy: 0.08933512270762892
Energy: 0.9752499742886466
Energy: 0.8703525127258531
Energy: 0.8730177735068406
Energy: 0.8489943585138159
Energy: 0.8757680603602156
Energy: 0.8744359038230747
Energy: 0.9859665710985681
Energy: 0.8708720269690977
Energy: 0.8702831573000377
Energy: 0.8533354085468784
Energy: 0.87429617322151
Energy: 0.8713682480029927
Energy: 1.0144138249862042
Energy: -0.12476521918390714
Energy: 0.4209430459092096
Energy: 0.8550845111349125
Energy: -0.11932744569763887
Energy: 0.4214541307743519

minimum gb energy = -0.6709138788224893 eV
minimum distance =  2.39176876923688 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.018552585704248555
Energy: 1.0838729574987158
Energy: 0.019430600022726462
Energy: 0.020311028400166426
Energy: 1.0823279394473626
Energy: 0.026241028448227694
Energy: 0.45798929214716716
Energy: 0.10844563082000137
Energy: 0.1105972865660538
Energy: 0.11219620105119575
Energy: 0.11050215434721086
Energy: 0.1080094065070041
Energy: 1.4369609150211229
Energy: 1.0799424132832494
Energy: 1.0785926494722107
Energy: 1.082700517180646
Energy: 1.082073668783337
Energy: 1.079028024940992
Energy: 0.01911466548053788
Energy: 0.10844563081911245
Energy: 0.11059728656694275
Energy: 0.11219620105159084
Energy: 0.11050215434676638
Energy: 0.1080094065070041

minimum gb energy = 0.018552585704248555 eV
minimum distance =  2.51702493695824 Angstroms
sigma value = 1