Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.045353233814239
cohesive_energy=3.3603034700051637
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4293644083678596e-19, 2.9105941821560997e-19, 3.2932740711869995e-19, 3.6091431945801e-19, 3.87569732117868e-19, 4.1038152303275995e-19, 4.30086693454326e-19, 4.47205950788616e-19, 4.621334304875939e-19, 4.75167137405184e-19, 4.86545795859852e-19, 4.96456860517776e-19, 5.050605490423559e-19, 5.12485035564312e-19, 5.188408702713899e-19, 5.242209794083619e-19, 5.28655804331274e-19, 5.31829716243228e-19, 5.341929267783779e-19, 5.359969776682619e-19, 5.37293138565168e-19, 5.380766029391939e-19, 5.38337757730536e-19, 5.38049365936416e-19, 5.37112092605526e-19, 5.35410581020218e-19, 5.32815054873138e-19, 5.29176511737324e-19, 5.243123034765e-19, 5.18009340598344e-19, 5.100080704881479e-19, 4.9999927305555e-19, 4.8760643679156e-19, 4.72368134825586e-19, 4.53723605335728e-19, 4.3097109495629396e-19, 4.03240621775022e-19, 3.69433092620988e-19, 3.2815301164597795e-19, 2.77602736666644e-19, 2.1544308979734597e-19, 1.3858315187577118e-19, 4.2878732820415196e-20, -7.73324198109414e-20, -2.2993317527524196e-19, -4.26178984644e-19, -6.8256409614658195e-19, -1.0240728522135838e-18, -1.4900611196825821e-18, -2.14553881765476e-18, -3.1045216419354596e-18, -4.5832665880521e-18, -7.03717634245284e-18]
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: 0.012675771157578201
Energy: 0.01338920144275766
Energy: 0.30691215650355724
Energy: 0.5741945566860527
Energy: 0.5749693523539665
Energy: 0.25369763468384826
Energy: 0.013540666912820937
Energy: 0.013803326414569928
Energy: 0.6010104016838996
Energy: 0.2820939921038779
Energy: 0.30689455689794537
Energy: 0.3057223368397438
Energy: 0.013218543771926378
Energy: 0.06390621522898472
Energy: 0.013708130103973464
Energy: 0.6003103753515465
Energy: 0.48738570111685287
Energy: 0.4876269990411248
Energy: 0.3060957537629368
Energy: 0.06120468157614691
Energy: 0.06291833315897669
Energy: 0.014403880935539914
Energy: 0.30688377901471176
Energy: 0.4879766651117107
Energy: 0.5732764344675255
Energy: 0.5745151813243068
Energy: 0.061360669766562216
Energy: 0.013205746529044484
Energy: 0.061231206492784504
Energy: 0.6016589078226076
Energy: 0.2822361855402237
Energy: 0.3063990700919238
Energy: 0.3072349146332228
Energy: 0.0162564395366685
Energy: 0.061250372182933756
Energy: 0.012894438096391646
Energy: 0.30613366482893983
Energy: 0.4875460545633532
Energy: 0.48794219937415456
Energy: 0.41740321474425635
Energy: 0.061275880087752824
Energy: 0.06258651081157651

minimum gb energy = 0.012675771157578201 eV
minimum distance =  2.83481235585153 Angstroms
sigma value = 5


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

Energy: 0.6862187901591327
Energy: 0.7567492430007442
Energy: 0.7041933061322949
Energy: 0.7670839561378472
Energy: 0.746338763667685
Energy: 0.7351304649203815
Energy: 0.7554838224978849
Energy: 0.6266080697377531
Energy: 0.6824082613702491
Energy: 0.6731788995440413
Energy: 0.7873319418506242
Energy: 0.7179477871379024
Energy: 0.7003024966793245
Energy: 0.6833248862972636
Energy: 0.703572113369019
Energy: 0.7087651668818237
Energy: 0.7050673823699469
Energy: 0.675440811453525
Energy: 0.6807981027931987
Energy: 0.7056085186696269
Energy: 0.7060440713149561
Energy: 0.6632394398311746
Energy: 0.6918185735418636
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Energy: 0.7052972012531477
Energy: 0.7098824327302948
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Energy: 0.7737478557335817
Energy: 0.7047533477644987
Energy: 0.777278624309488
Energy: 0.681448946485573
Energy: 0.7044745682499172
Energy: 0.7118331309073573
Energy: 0.72770069606959
Energy: 0.8111132725774477
Energy: 0.6758140988068522
Energy: 0.7390305418063291
Energy: 0.6484314314170184
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Energy: 0.7190506285218482
Energy: 0.6714466128491214
Energy: 0.7768158007552898
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Energy: 0.6894635691614663
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Energy: 0.7290878468009829
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Energy: 0.7218715211740088
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Energy: 0.707075111897423
Energy: 0.7035388251996529
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Energy: 0.6914899035422748
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Energy: 0.7091828176546434
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Energy: 0.6877041098026497
Energy: 0.6953825282256595
Energy: 0.7076830125922725
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Energy: 0.6757177762943777
Energy: 0.7756626763410043
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Energy: 0.6856130644829427
Energy: 0.6736906930011535
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Energy: 0.6633369191417574
Energy: 0.6641552493536789
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Energy: 0.7168487351302146
Energy: 0.7499217836322442
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Energy: 0.743396603890509
Energy: 0.6301749908424477
Energy: 0.6997976278736435
Energy: 0.7484056921797025
Energy: 0.6565625498971598
Energy: 0.7409777382930847
Energy: 0.718301356421312
Energy: 0.6977367277609844
Energy: 0.6975263655754536
Energy: 0.6903483841173076
Energy: 0.6797118482463287
Energy: 0.7045769120899125
Energy: 0.7115238572373282
Energy: 0.6166961080220829
Energy: 0.7609691112031379
Energy: 0.6460916683027661
Energy: 0.7105982676046315
Energy: 0.7457143703815232
Energy: 0.7000074213401413
Energy: 0.6767506968320827
Energy: 0.678779205820709
Energy: 0.6861105020276936
Energy: 0.68559248259371
Energy: 0.7011493136170984
Energy: 0.7235621284874849
Energy: 0.7063319139351406
Energy: 0.6466741821640786
Energy: 0.660663641903746
Energy: 0.6856883807332755
Energy: 0.7161114154323922
Energy: 0.7032475804493948
Energy: 0.7042774295541803
Energy: 0.6632898226279902
Energy: 0.7351901166486732
Energy: 0.6738493344607839
Energy: 0.7784863714553794
Energy: 0.7110554851715682
Energy: 0.6910167277813004
Energy: 0.7194792914507686
Energy: 0.7084903400470407
Energy: 0.7450819399090458

minimum gb energy = 0.6166961080220829 eV
minimum distance =  2.50369587886302 Angstroms
sigma value = 401


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

Energy: 0.6703356503968912
Energy: 0.688094225556649
Energy: 0.7169654573515415
Energy: 0.7780027070695071
Energy: 0.7719223642073426
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Energy: 0.7412196298544106
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Energy: 0.6654061166247252
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Energy: 0.7224680130363459
Energy: 0.7982353140026853
Energy: 0.6719931437980384
Energy: 0.6601859121989518
Energy: 0.6910472254635406
Energy: 0.7456445770245616
Energy: 0.8023214583914777
Energy: 0.7276163719884756
Energy: 0.8047562150032378
Energy: 0.7129447801198807
Energy: 0.6791062870403782
Energy: 0.6484925321206013
Energy: 0.6655665240881063
Energy: 0.7709062635487907
Energy: 0.7302036301088034
Energy: 0.7111246474390293
Energy: 0.6881722999380021
Energy: 0.664398413023367
Energy: 0.7149300554331421
Energy: 0.7156053102467735
Energy: 0.7283789132401816
Energy: 0.6366976554982883
Energy: 0.719256465859847
Energy: 0.6741366813046722
Energy: 0.7588509149789652
Energy: 0.7548997157207451
Energy: 0.7436215970553443
Energy: 0.6787138872583411
Energy: 0.6674598080841387
Energy: 0.6786883594524338
Energy: 0.7340868766506925
Energy: 0.7616159063915277
Energy: 0.7388297298409071
Energy: 0.6846635455742985
Energy: 0.6845272125757838
Energy: 0.622727561588599
Energy: 0.6292186958677455
Energy: 0.6606893662760319
Energy: 0.6926955364388235
Energy: 0.6461887823839239
Energy: 0.7041684273095334
Energy: 0.6460133757865321
Energy: 0.6256212106777868
Energy: 0.6488608299267786
Energy: 0.7495384596340543
Energy: 0.6779349071626422
Energy: 0.7433866001920854
Energy: 0.6751023219632417
Energy: 0.6951132369827044
Energy: 0.6525778736149977
Energy: 0.6516820958482602
Energy: 0.6721433831202561
Energy: 0.7094771464878551
Energy: 0.7684637078221985
Energy: 0.6933281096661693
Energy: 0.6825928737258175
Energy: 0.6853361758383233
Energy: 0.7177716240924212
Energy: 0.7090974745995454
Energy: 0.6701914810649946
Energy: 0.7469963444713308
Energy: 0.7195169763274588
Energy: 0.6655808744031273
Energy: 0.6558138299998405
Energy: 0.7290400319658099
Energy: 0.6549105481960193
Energy: 0.6825976115270325
Energy: 0.6764236931961057
Energy: 0.6285510491621285
Energy: 0.808493427395362
Energy: 0.7156151201734164
Energy: 0.7943545120396105
Energy: 0.6699211270283133
Energy: 0.66732583745348
Energy: 0.6936140687801302
Energy: 0.7446963006459831
Energy: 0.7244420301363356
Energy: 0.6925639027139131
Energy: 0.6792682260946499
Energy: 0.6348892722996956
Energy: 0.6957943117525338
Energy: 0.6537112116344765
Energy: 0.6948747488271261
Energy: 0.7569430630511891
Energy: 0.7315398895051083
Energy: 0.7059682658530776
Energy: 0.6744928693139672
Energy: 0.7007096577322269
Energy: 0.6511069245400654
Energy: 0.7169989523134717
Energy: 0.7159935553056054
Energy: 0.6399839231848977
Energy: 0.715601731607066
Energy: 0.6371970800987943
Energy: 0.7433266996401164
Energy: 0.7527852586239969
Energy: 0.7559209269155341
Energy: 0.6812130135846007
Energy: 0.6737424328811539
Energy: 0.6752703843956631
Energy: 0.7324002175837544
Energy: 0.6895240366765908
Energy: 0.6890731402652733
Energy: 0.6775023103300336
Energy: 0.6963286610246624
Energy: 0.6386250762722092
Energy: 0.6757348051728527
Energy: 0.7740003878444794
Energy: 0.6999365502697159
Energy: 0.6374826444550853
Energy: 0.6527015627816163
Energy: 0.6909155424021446

minimum gb energy = 0.6214897523909887 eV
minimum distance =  2.4815554831651 Angstroms
sigma value = 311


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

Energy: 0.7119630907869462
Energy: 0.7446408372050222
Energy: 0.68954346378572
Energy: 0.6982644117310107
Energy: 0.691468315122504
Energy: 0.6967374109949437
Energy: 0.7123555118695084
Energy: 0.64763124551688
Energy: 0.7157289287885015
Energy: 0.6720142773850467
Energy: 0.6805872391228429
Energy: 0.7363467314013638
Energy: 0.6537971082906604
Energy: 0.7130936468407552
Energy: 0.6756428637487986
Energy: 0.6825483970412028
Energy: 0.6544915579776052
Energy: 0.6639108604767742
Energy: 0.7645492979616854
Energy: 0.6861266355567374
Energy: 0.6970071710399949
Energy: 0.6823081588116433
Energy: 0.7258928188624885
Energy: 0.6837301353183372
Energy: 0.7567122276573159
Energy: 0.7534418872188514
Energy: 0.6701197699023235
Energy: 0.6969403347651829
Energy: 0.6954915262631995
Energy: 0.7631240760220676
Energy: 0.7113913785037069
Energy: 0.6973359572982747
Energy: 0.7161598863389487
Energy: 0.703083222292546
Energy: 0.7327303007895768
Energy: 0.6772780503997669
Energy: 0.7812071846080139
Energy: 0.6308833629077468
Energy: 0.7417059646701516
Energy: 0.6922870358965024
Energy: 0.6408862123879049
Energy: 0.6982242246926201
Energy: 0.6895838144199127
Energy: 0.7029225097252142
Energy: 0.6878532696424842
Energy: 0.6745426324204443
Energy: 0.7045828965694038
Energy: 0.6947532186574175
Energy: 0.6900647636363249
Energy: 0.6325481146496806
Energy: 0.7296539878149215
Energy: 0.6394729205016598
Energy: 0.7335635316852317
Energy: 0.6783916986967948
Energy: 0.6368114926302094
Energy: 0.7187345277129309
Energy: 0.713076858701748
Energy: 0.680128016994354
Energy: 0.6494872065719136
Energy: 0.6441312086430044
Energy: 0.6711136102173559
Energy: 0.6582413711672221
Energy: 0.6780821320118298
Energy: 0.6777012288052718
Energy: 0.7788142205935372
Energy: 0.6633719207644417
Energy: 0.6611522434888253
Energy: 0.7295627540089099
Energy: 0.7031939513720253
Energy: 0.7126987350960414
Energy: 0.7165414357822395
Energy: 0.755826618941059
Energy: 0.7156694396875314
Energy: 0.7172346602303947
Energy: 0.7139662223854679
Energy: 0.6940669016498825
Energy: 0.7172861094597959
Energy: 0.6303029861965225
Energy: 0.7251760789052168
Energy: 0.6770443915901807
Energy: 0.7368424639499542
Energy: 0.688171381758751
Energy: 0.6425141244703382
Energy: 0.7116286932814496
Energy: 0.6833994227491473
Energy: 0.7148170771485116
Energy: 0.687630658042479
Energy: 0.6726193962834834
Energy: 0.7342487940363518
Energy: 0.7182422995998549
Energy: 0.6998640754495675
Energy: 0.6957475685286139
Energy: 0.7218111909920615
Energy: 0.7230012478806828
Energy: 0.756887474994294
Energy: 0.7191770105258511
Energy: 0.6841704681048805
Energy: 0.7111492849016399
Energy: 0.6551136363003274
Energy: 0.6963516470295872
Energy: 0.6790390460434776
Energy: 0.6761247945403143
Energy: 0.6995243359651959
Energy: 0.6696223027026725
Energy: 0.658464144769556
Energy: 0.6627329435419725
Energy: 0.7282277178955854
Energy: 0.679446635794861
Energy: 0.6797288688809252
Energy: 0.7400796019795989
Energy: 0.6507292237648326
Energy: 0.7360999693415787
Energy: 0.6902986018443403
Energy: 0.7178630893400335
Energy: 0.6966855994065803
Energy: 0.7003844798422136
Energy: 0.7299038193529661
Energy: 0.7307802241938154
Energy: 0.7099113985991982
Energy: 0.6962403656964281
Energy: 0.7159945730456511
Energy: 0.6744025075832368
Energy: 0.7494128450258988
Energy: 0.653444920916454
Energy: 0.7055125396926775
Energy: 0.7508645652077007
Energy: 0.6872166275497174
Energy: 0.7035144628799629
Energy: 0.6903969974461797
Energy: 0.6700146655911837
Energy: 0.6953549099950488
Energy: 0.6914364134526628
Energy: 0.6795461156526598
Energy: 0.6916848098721935
Energy: 0.7259748248763829
Energy: 0.6934856089237305
Energy: 0.7209417000078691
Energy: 0.7321254391618361
Energy: 0.7207307771369732
Energy: 0.7425418198162868
Energy: 0.680070166908225
Energy: 0.6730739082264139
Energy: 0.6820344914706817
Energy: 0.6756350973836572
Energy: 0.6903410850674232
Energy: 0.6709186891423
Energy: 0.6913796371943094
Energy: 0.6613620295353846
Energy: 0.7034324289281021
Energy: 0.711833099447172
Energy: 0.7285306580685672
Energy: 0.7194831928321468
Energy: 0.6511710849031809
Energy: 0.6963678052895412
Energy: 0.7071793838199237
Energy: 0.7529214616648805
Energy: 0.7135987294818303
Energy: 0.722210277045717
Energy: 0.716660027812877
Energy: 0.712999779957091
Energy: 0.6790476967797873
Energy: 0.6788276710366958
Energy: 0.7129167606529692
Energy: 0.6664712681210385
Energy: 0.6935697064643533
Energy: 0.6818154039530324
Energy: 0.6776072226357172
Energy: 0.7148372696481102
Energy: 0.6891600074706998
Energy: 0.6965389846730553
Energy: 0.6861715492997216
Energy: 0.6957952032525992
Energy: 0.6736910330150647
Energy: 0.6898161522020403
Energy: 0.6922604705966852
Energy: 0.6978430592120639
Energy: 0.7230056776809568
Energy: 0.7032592477465568
Energy: 0.734318904591949
Energy: 0.708442004881926
Energy: 0.6561528355214532
Energy: 0.7384318900853171
Energy: 0.6977645340679751
Energy: 0.6960508076302814
Energy: 0.6673675186401542
Energy: 0.6380867809543896
Energy: 0.6975521011540056
Energy: 0.6788211403326488
Energy: 0.6596392464020506
Energy: 0.6385176078280969
Energy: 0.6626582994829489
Energy: 0.6901921100953645
Energy: 0.7009147331777257
Energy: 0.7194465368665263
Energy: 0.6607011975107154
Energy: 0.739919080126481
Energy: 0.7210624329626152
Energy: 0.7334394128122733
Energy: 0.7232711080528995
Energy: 0.7404417166011114
Energy: 0.6897637551342022
Energy: 0.692715433846983
Energy: 0.720977755958512
Energy: 0.6994048063354167
Energy: 0.7278444619825435
Energy: 0.6904057631212435
Energy: 0.6659633439814507
Energy: 0.7104777846395403
Energy: 0.6957996176215908
Energy: 0.7355441283070124
Energy: 0.6846279437828067
Energy: 0.74428318599402
Energy: 0.6358357887067808
Energy: 0.6836932875962403
Energy: 0.655099924818155
Energy: 0.6340463523259048
Energy: 0.6834803022609195
Energy: 0.6666720230868004
Energy: 0.7216841065339615
Energy: 0.6698595318823204
Energy: 0.739466206569297
Energy: 0.7025122829347018
Energy: 0.6703835079805481
Energy: 0.7181185182656284
Energy: 0.6656666833721954
Energy: 0.7020726171163422
Energy: 0.6866568822335103
Energy: 0.6894324238866938
Energy: 0.6716768814425195
Energy: 0.6896033670723589
Energy: 0.6729266009255501
Energy: 0.6630681182533262
Energy: 0.6729317181984433
Energy: 0.6793898288629185
Energy: 0.6864662595819948
Energy: 0.696650476856779
Energy: 0.6393196512356448
Energy: 0.7338420112849915
Energy: 0.7273477978848583
Energy: 0.7114784480871277
Energy: 0.6958551029861856
Energy: 0.7049055289915004
Energy: 0.7355574059977411
Energy: 0.7305062530709291
Energy: 0.7257046956928463
Energy: 0.7158188217180821
Energy: 0.7018959572962613
Energy: 0.684879266707191
Energy: 0.730140846640047
Energy: 0.7419181891257747
Energy: 0.6947215895485435
Energy: 0.7003521272299179

minimum gb energy = 0.6303029861965225 eV
minimum distance =  2.53379441654489 Angstroms
sigma value = 39


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

Energy: 0.618243509032137
Energy: 0.6941509124376907
Energy: 0.7399664886645709
Energy: 0.7429409090914667
Energy: 0.7060348156119255
Energy: 0.7285391607119244
Energy: 0.6167694270201433
Energy: 0.6175856132601556
Energy: 0.6675355147857532
Energy: 0.6815344476669006
Energy: 0.6291120268837854
Energy: 0.6679457974277855
Energy: 0.6563346626515625
Energy: 0.7249411747200118
Energy: 0.6559280215295308
Energy: 0.6253742113580721
Energy: 0.6665521141371666
Energy: 0.628815323968991
Energy: 0.6340691585606102
Energy: 0.6539434586718574
Energy: 0.7628077977806228
Energy: 0.6370063373833815
Energy: 0.6383378327363673
Energy: 0.6610636984186588
Energy: 0.6554470598033744
Energy: 0.6358896449331884
Energy: 0.6793109680760164
Energy: 0.6661893558268175
Energy: 0.650109654095356
Energy: 0.6240984308800517
Energy: 0.6526559318773407
Energy: 0.6580070058406975
Energy: 0.6597304515524592
Energy: 0.7346393556082138
Energy: 0.6634422901964729
Energy: 0.6169938887959341
Energy: 0.6260528637453604
Energy: 0.6798956091639645
Energy: 0.7402858298412589
Energy: 0.6859545411928177
Energy: 0.6427412127461816
Energy: 0.669996839070416
Energy: 0.7424853720355756
Energy: 0.640575640482017
Energy: 0.7328017426209499
Energy: 0.6967638749468741
Energy: 0.6172005603972812
Energy: 0.619348496263711
Energy: 0.8096349045070652
Energy: 0.6175045754905292
Energy: 0.7126410645023371
Energy: 0.7271744327062467
Energy: 0.7218644375705446
Energy: 0.6836194965234486
Energy: 0.7393325161547546
Energy: 0.6554474201590177
Energy: 0.6175193360250635
Energy: 0.7172333654279222
Energy: 0.7195293383178515
Energy: 0.6503193075456979
Energy: 0.7193645699053717
Energy: 0.7011748662793434
Energy: 0.6643544307301509
Energy: 0.7429674050148819
Energy: 0.6877236446673701
Energy: 0.6762319417909128
Energy: 0.6277166858186841
Energy: 0.6341819053817753
Energy: 0.6588872435106997
Energy: 0.7255408228220032
Energy: 0.6365945148942584
Energy: 0.6252644939611393
Energy: 0.6594895964936373
Energy: 0.6670091562766371
Energy: 0.6325021682381773
Energy: 0.6485842137708993
Energy: 0.6674356275670904
Energy: 0.6558548065821584
Energy: 0.6237101136410597
Energy: 0.6475748702435006
Energy: 0.6274223559407073
Energy: 0.6278318094941789
Energy: 0.7028432746430893
Energy: 0.7179535924063405
Energy: 0.618338328064585
Energy: 0.6239498197775564
Energy: 0.6670049698878483
Energy: 0.7118170528057781
Energy: 0.6692189420299153
Energy: 0.7272220294087396
Energy: 0.6560864897862053
Energy: 0.742244458696036
Energy: 0.6250742665204753
Energy: 0.7237154778426321
Energy: 0.697025180256438
Energy: 0.6177404656229605
Energy: 0.6174507105333037
Energy: 0.7827550750110412
Energy: 0.6229731811282473
Energy: 0.666710363023996
Energy: 0.7498866483955601
Energy: 0.6965524590364679
Energy: 0.6176472570394405
Energy: 0.6169069833971819
Energy: 0.7260011077064537
Energy: 0.6178127950097005
Energy: 0.6886627652006609
Energy: 0.7198167724296387
Energy: 0.6662406606598643
Energy: 0.7063812583628621
Energy: 0.7345123029031366
Energy: 0.6169085844647829
Energy: 0.6424980463087613
Energy: 0.6673600623005996
Energy: 0.6792122908563012
Energy: 0.629071757827267
Energy: 0.6608683862516432
Energy: 0.660849036183318
Energy: 0.7280963478658173
Energy: 0.6564973196710217
Energy: 0.6258728311470381
Energy: 0.6663123658110448
Energy: 0.6530611729268658
Energy: 0.6334784067063899
Energy: 0.6472657752777221
Energy: 0.7207238178393548
Energy: 0.6367171820653169
Energy: 0.6377463459024625
Energy: 0.6610796251154814
Energy: 0.6552812842821436
Energy: 0.6366531903557141
Energy: 0.6761295037452774
Energy: 0.6697372806608248
Energy: 0.6467873645783461
Energy: 0.6239365204132753
Energy: 0.6532069353592582
Energy: 0.6579759234757936
Energy: 0.6985297199467742
Energy: 0.7303426181088756
Energy: 0.6523967124649863
Energy: 0.6168924505945477
Energy: 0.6263524103736988
Energy: 0.7208678877661788
Energy: 0.7401438803296294
Energy: 0.685536159557998
Energy: 0.61740150164008
Energy: 0.6664253921840578
Energy: 0.74236144195195
Energy: 0.6403029536707859
Energy: 0.7323528592241251
Energy: 0.6966865800958727
Energy: 0.616983427923155
Energy: 0.6193951303289504
Energy: 0.8008703574375715
Energy: 0.6174257459831528
Energy: 0.71240630020899
Energy: 0.7348690343378841
Energy: 0.7223963793420348
Energy: 0.6832850977225065
Energy: 0.6661670495895222
Energy: 0.6451821255450304
Energy: 0.6174872785382854
Energy: 0.6774970634315679
Energy: 0.7198892049224913
Energy: 0.6499408561922603
Energy: 0.6320744874567638
Energy: 0.7013065952779497
Energy: 0.6645367205353859
Energy: 0.7433304762155883
Energy: 0.6875294817618761
Energy: 0.676100719978572
Energy: 0.6276396326039498
Energy: 0.6348217375310742
Energy: 0.6590084348552039
Energy: 0.7241764714855055
Energy: 0.6365666896258566
Energy: 0.6256018675985239
Energy: 0.65965529945823
Energy: 0.6668198711677196
Energy: 0.6327934345278005
Energy: 0.6770736947788059
Energy: 0.6730290446100577
Energy: 0.6481766801500833
Energy: 0.6254407472835323
Energy: 0.6476134303782449
Energy: 0.6274033722862596
Energy: 0.6278791039475968
Energy: 0.7028744369348592
Energy: 0.7206154902932534
Energy: 0.6188838526010082
Energy: 0.6238260830702135
Energy: 0.666487001865652
Energy: 0.7118890444884522
Energy: 0.6758716718497411
Energy: 0.7296514498164313
Energy: 0.6503547082070266
Energy: 0.7422486337093331
Energy: 0.6472627240387914
Energy: 0.7299417947543264
Energy: 0.6970022662798909
Energy: 0.6173553597093453
Energy: 0.6174271203124669
Energy: 0.7934915918963201
Energy: 0.6170248416932858
Energy: 0.667206338308468
Energy: 0.7503284976342265
Energy: 0.7158373054016492
Energy: 0.6176104699282078
Energy: 0.6169096043607
Energy: 0.723271900489729

minimum gb energy = 0.6167694270201433 eV
minimum distance =  2.51355407775352 Angstroms
sigma value = 21


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

Energy: 0.770589452453555
Energy: 0.7688283138743519
Energy: 0.7432193973887699
Energy: 0.8183075945764422
Energy: 0.6678290986862826
Energy: 0.7389529020814337
Energy: 0.7700282151299416
Energy: 0.7055634237752738
Energy: 0.682729029806977
Energy: 0.7908269945718557
Energy: 0.7645953602702299
Energy: 0.7386303843275709
Energy: 0.777596039877316
Energy: 0.747638190525319
Energy: 0.6975202132308277
Energy: 0.6757606395826148
Energy: 0.7629733541375119
Energy: 0.7304736046757327
Energy: 0.7371691329171947
Energy: 0.7252117678940638
Energy: 0.6826746690987178
Energy: 0.7083340803963422
Energy: 0.7815459834071982
Energy: 0.6762735370511695
Energy: 0.7239896444155484
Energy: 0.6913641955873068
Energy: 0.6663539057943852
Energy: 0.6942408474868724
Energy: 0.6596121228827693
Energy: 0.679114930206002
Energy: 0.7293509566519353
Energy: 0.6674147043067695
Energy: 0.7280686694102353
Energy: 0.6405672371169537
Energy: 0.673815422897118
Energy: 0.6256703763460898
Energy: 0.6455240898461553
Energy: 0.7344203450199313
Energy: 0.7125674123054448
Energy: 0.7668298048730741
Energy: 0.6630144788981549
Energy: 0.6296466209968166
Energy: 0.7563369524128942
Energy: 0.7936593624607423
Energy: 0.6662892280906487
Energy: 0.6599248846412282
Energy: 0.6347358496616308
Energy: 0.6328360697804364
Energy: 0.6291179756956277
Energy: 0.6993576817077419
Energy: 0.612738725207367
Energy: 0.6920669201206892
Energy: 0.6931977574815729
Energy: 0.7279119334544569
Energy: 0.7162190858291896
Energy: 0.6736537311653481
Energy: 0.6653000415460335
Energy: 0.6912077649495486
Energy: 0.722892203905366
Energy: 0.7341314653527072
Energy: 0.7855239697103862
Energy: 0.7771821607094335
Energy: 0.7543278469061296
Energy: 0.721114750579144
Energy: 0.7370787486934244
Energy: 0.6830524068403588
Energy: 0.6921528270287572
Energy: 0.6424714270339825
Energy: 0.7396044635016107
Energy: 0.8075831306309286
Energy: 0.7426315538166223
Energy: 0.6844918963040831
Energy: 0.7401649052843211
Energy: 0.6885897881277063
Energy: 0.7280080082989445
Energy: 0.6953353657911967
Energy: 0.7891742437748325
Energy: 0.7482035233733809
Energy: 0.6547979340018247
Energy: 0.7549905428772976
Energy: 0.771025529837689
Energy: 0.7470488693086413
Energy: 0.7223901653428098
Energy: 0.8394444343367914
Energy: 0.7136053915966606
Energy: 0.7205742717322124
Energy: 0.7745727712472459
Energy: 0.6929935463355004
Energy: 0.6883846379668401
Energy: 0.7350249284328585
Energy: 0.7721374382475514
Energy: 0.7831089655340516
Energy: 0.7696178161411261
Energy: 0.7885373765087125
Energy: 0.7332671466345856
Energy: 0.774798549687867
Energy: 0.7160232312916939
Energy: 0.7731237082838103
Energy: 0.7363216480469864
Energy: 0.7026717512180407
Energy: 0.677283429004371
Energy: 0.7368450945889922
Energy: 0.7456600869035928
Energy: 0.7245598176345301
Energy: 0.7856691202358146
Energy: 0.7420221245673441
Energy: 0.7391339054297626
Energy: 0.6758465286334967
Energy: 0.6635765570719616
Energy: 0.7492143449101437
Energy: 0.6932662452845826
Energy: 0.7706330734327925
Energy: 0.7106686024691361
Energy: 0.7192971766729062
Energy: 0.6881975920148368
Energy: 0.6431976473715627
Energy: 0.728344730969224
Energy: 0.7204489337621135
Energy: 0.6811176330853252
Energy: 0.624380573264424
Energy: 0.6454305572295552
Energy: 0.7244084728788722
Energy: 0.7199303281490107
Energy: 0.7520434639886316
Energy: 0.669230061204596
Energy: 0.6370089327252973
Energy: 0.6854377196953586
Energy: 0.6485130429693223
Energy: 0.6914379311532407
Energy: 0.6501338144027152
Energy: 0.6673448756008803
Energy: 0.6602372851944469
Energy: 0.6309733046127878
Energy: 0.7345353488731713
Energy: 0.6688133547503852
Energy: 0.7442012715982563
Energy: 0.6844473856483995
Energy: 0.6985183753358479
Energy: 0.7145223204114954
Energy: 0.674966077264227
Energy: 0.6680000654059143
Energy: 0.696583312262643
Energy: 0.7496667842010228
Energy: 0.72810088408636
Energy: 0.7353845646179897
Energy: 0.7358786018018939
Energy: 0.6661195698060334
Energy: 0.72142065901515
Energy: 0.7351911278511759
Energy: 0.6771839350598027
Energy: 0.6980619089777336
Energy: 0.6301323468328142
Energy: 0.7308837943604449
Energy: 0.7976696271983732
Energy: 0.7595135206535624
Energy: 0.7391381821331615
Energy: 0.7222707560586431
Energy: 0.6948171101093592
Energy: 0.7502528669995081
Energy: 0.6939831373429332
Energy: 0.8025346163982311
Energy: 0.7294172591817195
Energy: 0.7796471042810487
Energy: 0.7438324977051949
Energy: 0.7825995856125783
Energy: 0.774118455299439
Energy: 0.7199477462861729
Energy: 0.7793260845994847
Energy: 0.7845780921185993
Energy: 0.7422919320857184
Energy: 0.812117747408497
Energy: 0.7235927266806003
Energy: 0.7494494579280322
Energy: 0.6955401931721127
Energy: 0.7740320173068622

minimum gb energy = 0.612738725207367 eV
minimum distance =  2.48482378694441 Angstroms
sigma value = 113


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

Energy: 0.7374574892954324
Energy: 0.8261824998815088
Energy: 0.7874899458651287
Energy: 0.8111759729069902
Energy: 0.7666420925462198
Energy: 0.7810689595928574
Energy: 0.8390887209256588
Energy: 0.8249383422392336
Energy: 0.8086065321368869
Energy: 0.7918284361867018
Energy: 0.8276435377620905
Energy: 0.8011895113247611
Energy: 0.8140285201249844
Energy: 0.8280932412624029
Energy: 0.8170387546565565
Energy: 0.8077398878161761
Energy: 0.7475162369503202
Energy: 0.7782164057130608
Energy: 0.7830643187102716
Energy: 0.7689954377554955
Energy: 0.8007903855171422
Energy: 0.7417650571783656
Energy: 0.836903035752966
Energy: 0.7563446538306805
Energy: 0.7855875597654636
Energy: 0.7812632258346234
Energy: 0.7447299615344216
Energy: 0.7826892458252757
Energy: 0.7318054070917513
Energy: 0.78264931609689
Energy: 0.7873495831709965
Energy: 0.8062810689289394
Energy: 0.762251076221762
Energy: 0.754809641804297
Energy: 0.7592732593112598
Energy: 0.7052532306859343
Energy: 0.7495677982301233
Energy: 0.7542383666336222
Energy: 0.7571757234723955
Energy: 0.7507780263005247
Energy: 0.700267649003008
Energy: 0.7619114073271775
Energy: 0.7594226665772328
Energy: 0.829619609487998
Energy: 0.7936206437360743
Energy: 0.7456374556223085
Energy: 0.7585672128752727
Energy: 0.8100619368204683
Energy: 0.8210161796218064
Energy: 0.7845307738225085
Energy: 0.6837969991127169
Energy: 0.7682540093370471
Energy: 0.7650933642571556
Energy: 0.7574359618677534
Energy: 0.7542794624573311
Energy: 0.6943465423117904
Energy: 0.720851473758642
Energy: 0.7973576792394578
Energy: 0.7662511683923314
Energy: 0.7805853632883227
Energy: 0.7616647993000654
Energy: 0.7506793483201456
Energy: 0.7958283201958102
Energy: 0.7418499914580823
Energy: 0.7268146747644122
Energy: 0.7733499068777896
Energy: 0.7523456947313146
Energy: 0.7778502749701861
Energy: 0.7619283062550748
Energy: 0.731660263270324
Energy: 0.7657774088244125
Energy: 0.7170381876652748
Energy: 0.7474288995632323
Energy: 0.7257604096293889
Energy: 0.7601185700219639
Energy: 0.7253894169421559
Energy: 0.7205788292443296
Energy: 0.7342298062128556
Energy: 0.8109013126803001
Energy: 0.7617110563749142
Energy: 0.7504193324916617
Energy: 0.7478124284696057
Energy: 0.7614443990832634
Energy: 0.8067187695548518
Energy: 0.79576043308977
Energy: 0.681344957193163
Energy: 0.7444358713407339
Energy: 0.7524717740808614
Energy: 0.7518153759154433
Energy: 0.7550776832624718
Energy: 0.6895012640527781
Energy: 0.7599198777479451
Energy: 0.750052678957621
Energy: 0.7785906574405183
Energy: 0.7545866096021057
Energy: 0.7454977189226133
Energy: 0.7973029728221152
Energy: 0.7273601095284051
Energy: 0.6900541319862138
Energy: 0.7410821971310062
Energy: 0.7576329102564454
Energy: 0.7569814696291841
Energy: 0.7683594299223642
Energy: 0.7692401721750274
Energy: 0.7532383295423454
Energy: 0.7263582888328803
Energy: 0.7420828240914141
Energy: 0.7986238532571541
Energy: 0.7620313850787016
Energy: 0.7593853180286791
Energy: 0.7857480168567502
Energy: 0.7330108463106093
Energy: 0.7372308380519283
Energy: 0.8258562329804255
Energy: 0.7697292935469059
Energy: 0.7699965579089622
Energy: 0.7615132971832854
Energy: 0.7716898613105315
Energy: 0.8374511815789212
Energy: 0.7414081954715469
Energy: 0.7921182136661251
Energy: 0.7325813832310163
Energy: 0.7520479629337528
Energy: 0.7385940370255712
Energy: 0.7631129348846903
Energy: 0.7923638687113129
Energy: 0.7836179478394859
Energy: 0.7897955233216203
Energy: 0.7916311628238034
Energy: 0.8235651895010125
Energy: 0.7937201242049252
Energy: 0.7911037057648334
Energy: 0.7845612668381696
Energy: 0.7218276760544885
Energy: 0.7929339386967772
Energy: 0.7606707370805093
Energy: 0.7886559903076712
Energy: 0.7743919565206082
Energy: 0.7809037952600033
Energy: 0.8294249707056555
Energy: 0.80537093723876
Energy: 0.7853226839510744
Energy: 0.7666804182357442
Energy: 0.8262958273018605
Energy: 0.8088086784493285
Energy: 0.7410152148815341
Energy: 0.8138742475651114
Energy: 0.7969923449273387
Energy: 0.8018857841330631
Energy: 0.7655264341416171
Energy: 0.8285882007059879
Energy: 0.8129794320012523
Energy: 0.749083003176724
Energy: 0.8193114842886529
Energy: 0.7166068955514985
Energy: 0.8157367755967858
Energy: 0.7817993772735524
Energy: 0.7846704964558595
Energy: 0.7864184483392782
Energy: 0.7816003229564936
Energy: 0.8149321353122102
Energy: 0.8011478556273224
Energy: 0.8169920690080991
Energy: 0.7589296210057778
Energy: 0.8151388121649731
Energy: 0.8175194672589804
Energy: 0.7763682384631931
Energy: 0.8376603565214137
Energy: 0.7659129563798516
Energy: 0.8121845576256984
Energy: 0.7461856479785777
Energy: 0.7769153534709395
Energy: 0.7683544937202571
Energy: 0.7682077344472027
Energy: 0.7874482660458787
Energy: 0.7237782790490024
Energy: 0.8410448100275782
Energy: 0.7456064366608169
Energy: 0.7667221840786337
Energy: 0.7749269687125374
Energy: 0.7480635206131235
Energy: 0.82908813256984
Energy: 0.7337022428190351
Energy: 0.7644564318834173
Energy: 0.7819550846729979
Energy: 0.7598493214400927
Energy: 0.7465826912349004
Energy: 0.7814710989887199
Energy: 0.7695150964733362
Energy: 0.6964476136422489
Energy: 0.757767717703381
Energy: 0.7434458023927785
Energy: 0.7340883549519861
Energy: 0.7574299824326858
Energy: 0.7110204557766118
Energy: 0.763907013789213
Energy: 0.7676442677819897
Energy: 0.7578438267106448
Energy: 0.7790299265182139
Energy: 0.7503240395691393
Energy: 0.7602887582882414
Energy: 0.8053586904567821
Energy: 0.8205475297545431
Energy: 0.7395659003519326
Energy: 0.6807637499319582
Energy: 0.7470143680307022
Energy: 0.7637758677921611
Energy: 0.7647139669503702
Energy: 0.7334784220050986
Energy: 0.6963284686516708
Energy: 0.6825370320159004
Energy: 0.8047074128845233
Energy: 0.7656013911900428
Energy: 0.7794029666485964
Energy: 0.7624223051720979
Energy: 0.751085747710851
Energy: 0.7976156606936182
Energy: 0.7496710788720913
Energy: 0.7322639693254461
Energy: 0.7617318406770535
Energy: 0.7034006441121132
Energy: 0.7768781169970604
Energy: 0.7355233362973135
Energy: 0.7316892582847014
Energy: 0.7447775906475175
Energy: 0.718833950407222
Energy: 0.7554665442534588
Energy: 0.7646450889295867
Energy: 0.7788046160929522
Energy: 0.7311370073859137
Energy: 0.7180013115707979
Energy: 0.7230736224362374
Energy: 0.8168704147095307
Energy: 0.7577598615246856
Energy: 0.7514279312865345
Energy: 0.7502117102301892
Energy: 0.7553574517908629
Energy: 0.8061018384915289
Energy: 0.7435751588111794
Energy: 0.6793123228995959
Energy: 0.74398515244283
Energy: 0.7542974218090375
Energy: 0.7519559069682442
Energy: 0.7563590598279971
Energy: 0.6889116889400909
Energy: 0.7517126604464494
Energy: 0.802540296157789
Energy: 0.7938759998265741
Energy: 0.7677001592037
Energy: 0.7500735018352034
Energy: 0.7922905545376022
Energy: 0.7981095266055892
Energy: 0.6883238472613652
Energy: 0.7379120931051233
Energy: 0.7504966351734894
Energy: 0.7018626445832423
Energy: 0.7525482382478627
Energy: 0.7215758091295944
Energy: 0.7412465351644869
Energy: 0.7273343318263785
Energy: 0.7391332124694348
Energy: 0.7680630667236787
Energy: 0.7514423312723532
Energy: 0.7301535722269108
Energy: 0.7714196388479145
Energy: 0.7303381144467536
Energy: 0.7216648306302396
Energy: 0.831476107189777
Energy: 0.7669307537696364
Energy: 0.7699065195135641
Energy: 0.7572730521411078
Energy: 0.7341567814735612
Energy: 0.8079530334275875
Energy: 0.7588681825514074
Energy: 0.781850414803191
Energy: 0.7429872791697077
Energy: 0.737404631067672
Energy: 0.771722276021429
Energy: 0.7518631016773837
Energy: 0.7849627490309937
Energy: 0.790640091051768
Energy: 0.8089881028364543
Energy: 0.7674588381284461
Energy: 0.8256123720026265
Energy: 0.8068852265425194
Energy: 0.7718717366040688
Energy: 0.7848598801036398
Energy: 0.7327553890689832
Energy: 0.7933267420865523
Energy: 0.7577444571478106
Energy: 0.8048131481510685
Energy: 0.7733497406466194
Energy: 0.7797209848470953
Energy: 0.8309616630899167
Energy: 0.8040759485903056
Energy: 0.7779791169988293
Energy: 0.7791187188972325
Energy: 0.824134079778235
Energy: 0.8033431494355618
Energy: 0.7612360878703408
Energy: 0.8456577895312004
Energy: 0.7930351821837334
Energy: 0.7601864331104033
Energy: 0.7682312969325082
Energy: 0.8205222457654182
Energy: 0.8060494929521324
Energy: 0.7315630773003029
Energy: 0.8141311629938723
Energy: 0.7502409746104031
Energy: 0.8144583719456988
Energy: 0.7852394502950664
Energy: 0.8106046890947434
Energy: 0.7724802913912293
Energy: 0.7926529847306529
Energy: 0.8329294191871921

minimum gb energy = 0.6793123228995959 eV
minimum distance =  2.44506460169475 Angstroms
sigma value = 365


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

Energy: 0.6945095044361527
Energy: 0.6734261111610642
Energy: 0.6894928253081563
Energy: 0.6740849478822443
Energy: 0.6746391904890544
Energy: 0.6899672331870039
Energy: 0.673370237915937
Energy: 0.6322818307186792
Energy: 0.7870827625202478
Energy: 0.6743784931940587
Energy: 0.6747294268789027
Energy: 0.6745771975899004
Energy: 0.6743838632762306
Energy: 0.786205502266685
Energy: 0.6884725826233948
Energy: 0.7516315881561827
Energy: 0.6740996490949279
Energy: 0.6739114710998823
Energy: 0.6730743197098055
Energy: 0.6728511766003322
Energy: 0.6732928659232928
Energy: 0.689260619475397
Energy: 0.7514342181148337
Energy: 0.6738091196966627
Energy: 0.6744352198516752
Energy: 0.6733353602437357
Energy: 0.6735974674599441
Energy: 0.6746959317457878
Energy: 0.6323867867866858
Energy: 0.7860144421844119
Energy: 0.6322986427736762
Energy: 0.7861486569056868
Energy: 0.6751284354687537
Energy: 0.6321863666140074
Energy: 0.7858961858223649
Energy: 0.6890493688802454
Energy: 0.752011076062156
Energy: 0.68672312214071
Energy: 0.6744277890553648
Energy: 0.6857013227587371
Energy: 0.6870692360064905
Energy: 0.6737444593813581
Energy: 0.6882076601910008
Energy: 0.7862770336413198
Energy: 0.6738901961759675
Energy: 0.6739294804881899
Energy: 0.673573047953121
Energy: 0.6733372251659115
Energy: 0.7856927096172271
Energy: 0.6885241120577545
Energy: 0.8047014086353814
Energy: 0.6740908826685785
Energy: 0.6736811090619694
Energy: 0.67301444346697
Energy: 0.6730247681948999
Energy: 0.7855607692911835
Energy: 0.6909261914707526
Energy: 0.7520577555371913
Energy: 0.673200107735487
Energy: 0.6850460647802649
Energy: 0.674241721365508
Energy: 0.6742750959958712
Energy: 0.6741431566061359
Energy: 0.6319880797983817
Energy: 0.7856837952968182
Energy: 0.6325421821227761
Energy: 0.7871434531198932
Energy: 0.7863326250685784
Energy: 0.6322954514784266
Energy: 0.7855071940960197
Energy: 0.690157410494772
Energy: 0.7531409505688227
Energy: 0.6745047353294134
Energy: 0.6845352285900691
Energy: 0.674252449172654
Energy: 0.6738694684575597
Energy: 0.6744774180049634
Energy: 0.6884792643607341
Energy: 0.7516849277901002
Energy: 0.6736036013946274
Energy: 0.6736490591662586
Energy: 0.6732725663661199
Energy: 0.673261485595235
Energy: 0.8035068241092368
Energy: 0.6883885348453312
Energy: 0.7859320786981449
Energy: 0.6744278089602201
Energy: 0.6743730376466907
Energy: 0.6735426791762522
Energy: 0.6737918683964708
Energy: 0.78557202782641
Energy: 0.6912216374017014
Energy: 0.7516855446248362
Energy: 0.6867069532416263
Energy: 0.6739003438745145
Energy: 0.6862079386402518
Energy: 0.6874665328618698
Energy: 0.6733270051024833
Energy: 0.6323235510989309
Energy: 0.7864442015134339
Energy: 0.632285873229596
Energy: 0.6750182178136511
Energy: 0.674488286104337
Energy: 0.6752805257848862
Energy: 0.7870049721887129
Energy: 0.6889372053030357
Energy: 0.751717975965951
Energy: 0.6735607207084001
Energy: 0.6738396264212365
Energy: 0.673051136006445
Energy: 0.6734536373898339
Energy: 0.6753584482621889
Energy: 0.6886046877813394
Energy: 0.7513562544248007
Energy: 0.6738087731400116
Energy: 0.6736252996614749
Energy: 0.6731555842793928
Energy: 0.6734080411293853
Energy: 0.6751562772883932
Energy: 0.6322622575684267
Energy: 0.7858801326117971
Energy: 0.6755738746118852
Energy: 0.674712177416698
Energy: 0.6746803132713647
Energy: 0.6744899425992666
Energy: 0.7868404328022611
Energy: 0.6914799942687205
Energy: 0.7519077376964528
Energy: 0.6878366525252325
Energy: 0.674017244286323
Energy: 0.6745967666199241
Energy: 0.6879750476179785
Energy: 0.6734116264753361
Energy: 0.6885601764044361
Energy: 0.786054891458258
Energy: 0.6746498350803741
Energy: 0.6741094499662678
Energy: 0.6741333880926571
Energy: 0.6739539779275575
Energy: 0.7861207505670312

minimum gb energy = 0.6319880797983817 eV
minimum distance =  2.46497665166116 Angstroms
sigma value = 23