Model name: model_name=Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.149100035429001
cohesive_energy=6.880871308375725
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01753919341372761
Energy: 0.01793888607271449
Energy: 5.414737806819371
Energy: 0.01793888607271449
Energy: 0.017938886074321637
Energy: 0.017747079694423233
Energy: 1.7174330561041484
Energy: 0.017747079694423233
Energy: 5.414737806792738
Energy: 1.7174330561041484
Energy: 1.7173493779554294
Energy: 1.7174330561041484
Energy: 0.01793888607271449
Energy: 0.017747079694423233
Energy: 1.7174330561041484
Energy: 0.017747079694423233

minimum gb energy = 0.01753919341372761 eV
minimum distance =  2.72443384619452 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 2.242404323137734
Energy: 2.3932952972636996
Energy: 2.80146156357973
Energy: 2.393295297096343
Energy: 2.2522589027274322
Energy: 1.9307502273600388
Energy: 1.693977724096828
Energy: 1.9307502219604762
Energy: 2.5442857800856826
Energy: 1.7475555938600047
Energy: 1.6729588688041623
Energy: 1.7428982282103933
Energy: 2.0074300274873798
Energy: 1.9712128549872399
Energy: 1.8325978641905725
Energy: 1.9712128549882422
Energy: 2.0602538139259066
Energy: 1.9763011433907884
Energy: 2.2383768410662452
Energy: 1.97630114334969
Energy: 2.259588954633421
Energy: 1.9293889254591132
Energy: 1.6692556257043873
Energy: 1.9293889256985521
Energy: 1.8534510686513055
Energy: 1.964808638944511
Energy: 1.6559559506473804
Energy: 1.9648083132814766
Energy: 1.657545317553739
Energy: 1.8933492400394794
Energy: 2.1489032265657158
Energy: 1.893349240042487
Energy: 1.8731124995567336
Energy: 1.9726576224639205
Energy: 2.0389075404000034
Energy: 1.9726576227163908
Energy: 2.4055388067392043
Energy: 2.0680120588253903
Energy: 1.870446788358345
Energy: 2.0680120588263926
Energy: 1.706147168977862
Energy: 1.9712285334329762
Energy: 1.9476346121056982
Energy: 1.971228533051241
Energy: 1.6663924421920357
Energy: 1.6649993820221662
Energy: 2.897930253883231
Energy: 1.6645252666548578
Energy: 1.9090561633229028
Energy: 1.9784069920511336
Energy: 2.042181019690062
Energy: 1.9799366101748423
Energy: 1.8443270541539347
Energy: 2.0289546247069787
Energy: 2.1152306936288077
Energy: 2.021442728580163
Energy: 1.7414455058603766
Energy: 1.9202337105706004
Energy: 2.242420149464458
Energy: 1.9202337023354532
Energy: 1.744513602189746
Energy: 1.929851596124567
Energy: 2.2488173789209576
Energy: 1.9298515972156887
Energy: 1.704312149302599
Energy: 2.0395812347317976
Energy: 2.098713283332038
Energy: 2.039579637856109
Energy: 1.9035165444450028
Energy: 1.976535389594592
Energy: 2.03838938828019
Energy: 1.9765353959360081
Energy: 1.6504996371282494
Energy: 1.6865383055944088
Energy: 2.797235709479132
Energy: 1.6818859462453026
Energy: 1.7567122315660146
Energy: 1.9772797294965705
Energy: 1.8683423728608954
Energy: 1.9772796887427115
Energy: 2.4171061000012775
Energy: 1.9875427733808613
Energy: 1.851820877268093
Energy: 1.987542757098974
Energy: 1.8900427327235472
Energy: 1.9472534715480798
Energy: 2.0598087112182983
Energy: 1.947253472906753
Energy: 1.7428692306295537
Energy: 1.837015392733235
Energy: 1.8372967771699376
Energy: 1.837015593594772
Energy: 2.06446454852773
Energy: 1.9999598083716281
Energy: 1.6470729731723333
Energy: 1.9999598083566374
Energy: 2.2482600196356177
Energy: 1.9291541818788072
Energy: 1.6804159378608061
Energy: 1.9291541818397588
Energy: 2.060596528752951
Energy: 1.9857608955876982
Energy: 2.255286294768226
Energy: 1.9857608957189223
Energy: 2.003804578399304
Energy: 1.9791776931267755
Energy: 1.8427314935465795
Energy: 1.9791776931157943
Energy: 2.6022315107052494
Energy: 1.729879264653559
Energy: 1.6785773137336146
Energy: 1.732534988883014
Energy: 2.2503791025185773
Energy: 1.9432485081291764
Energy: 1.6949367573550256
Energy: 1.943339982825406
Energy: 2.2479429435523977
Energy: 2.242177512815655
Energy: 1.8373739202933923
Energy: 2.242177512837708
Energy: 2.260893256115101
Energy: 1.9293353829938138
Energy: 1.6927827752941895
Energy: 1.9293489807459765
Energy: 2.25677638073394
Energy: 1.916252564846293
Energy: 1.6905040846500647
Energy: 1.9162524835219696
Energy: 2.0080721445380236
Energy: 1.9785466234735725
Energy: 1.8695512913007266
Energy: 1.978546623683987

minimum gb energy = 1.6470729731723333 eV
minimum distance =  2.37430975903249 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 2.3312981222729725
Energy: 2.1737311261905483
Energy: 2.84478648860476
Energy: 2.1737311261905483
Energy: 2.0677453085458293
Energy: 2.0202419947938606
Energy: 2.0185751496188837
Energy: 2.0202419947858608
Energy: 2.2404608015395695
Energy: 1.9032642284641887
Energy: 1.6870034626481605
Energy: 1.9032642284584742
Energy: 1.6904442469128529
Energy: 2.012985202455014
Energy: 2.045478210660981
Energy: 2.012985202456157
Energy: 1.6870522493429099
Energy: 2.017402399526872
Energy: 2.341726942688451
Energy: 2.017402399577109
Energy: 2.1352962667670603
Energy: 1.6531214013658106
Energy: 1.6992878287852085
Energy: 1.6530718343747681
Energy: 1.70532621443907
Energy: 2.029447923703228
Energy: 1.7106831244815608
Energy: 2.029447923704371
Energy: 1.6496537947424255
Energy: 1.6781251803468067
Energy: 2.3639099408484108
Energy: 1.6781251802999988
Energy: 1.7089201825609732
Energy: 1.9266782633366584
Energy: 2.0944114004483594
Energy: 1.926678276452717
Energy: 2.1156063418086575
Energy: 1.7050261420103714
Energy: 1.647466542615347
Energy: 1.7050261420298012
Energy: 1.652134582034054
Energy: 2.0124142724416876
Energy: 2.099102854691833
Energy: 2.0124142720852523
Energy: 1.650216692324133
Energy: 1.8656473926428667
Energy: 2.6882738720363455
Energy: 1.8656472863504243
Energy: 1.853514374552235
Energy: 2.0118627293069213
Energy: 2.0624494977171417
Energy: 2.0118627293080644
Energy: 1.853514377496244
Energy: 2.017221814677598
Energy: 2.0578107312361467
Energy: 2.0172218146867413
Energy: 1.650111476229865
Energy: 1.8672541622792536
Energy: 2.6847448440396207
Energy: 1.8672492782117307
Energy: 1.7527716491808332
Energy: 2.019100452100292
Energy: 2.103066469077125
Energy: 2.019100452100292
Energy: 2.1156186135501565
Energy: 1.6660807104370905
Energy: 1.647546740230423
Energy: 1.6660807106564275
Energy: 1.7069370619906934
Energy: 1.9362826104697886
Energy: 2.0981142634970165
Energy: 1.9362826104640738
Energy: 1.6499204033116954
Energy: 1.6514527449973126
Energy: 2.3639098733089425
Energy: 1.6514527453171748
Energy: 1.8145234669105257
Energy: 2.0147550774486036
Energy: 1.6908193913120004
Energy: 2.0147550584251492
Energy: 2.181335375601129
Energy: 1.6579339003134128
Energy: 1.6988007859489793
Energy: 1.6576360137142663
Energy: 1.6894836210201751
Energy: 2.0095562560085236
Energy: 2.3417269186006613
Energy: 2.009556247676888
Energy: 1.6879192448748672
Energy: 2.010322161651425
Energy: 2.0454782106346934
Energy: 2.010322161649139
Energy: 2.157263302639534
Energy: 1.7160082966647006
Energy: 1.7722125443476466
Energy: 1.701733337070887
Energy: 2.0653233074733612
Energy: 2.017448348340356
Energy: 2.018575149296736
Energy: 2.017448348379163
Energy: 2.331298122274116
Energy: 2.1737311261894057
Energy: 2.844784230266526
Energy: 2.1737311261894057
Energy: 2.0677453085446866
Energy: 2.0202419946841923
Energy: 2.0185751499547466
Energy: 2.0202419946956214
Energy: 2.240460804099713
Energy: 1.9032642284550454
Energy: 1.6870017363285845
Energy: 1.903264228466475
Energy: 1.6904442469162815
Energy: 2.0129852024573003
Energy: 2.045478210670124
Energy: 2.012985202460729

minimum gb energy = 1.647466542615347 eV
minimum distance =  2.40688166726757 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 2.166141129858608
Energy: 2.394663147257675
Energy: 1.8435790924476327
Energy: 2.394663147257675
Energy: 2.2408796366127124
Energy: 2.0137396172018645
Energy: 1.965137143255763
Energy: 2.013739617601597
Energy: 2.310912981537038
Energy: 1.7749345960855671
Energy: 1.7613533859145072
Energy: 1.7749049103070385
Energy: 1.9924426384274376
Energy: 2.00090067492935
Energy: 2.0666980566302824
Energy: 2.0009006763025377
Energy: 1.9915644774443564
Energy: 2.0180657369026873
Energy: 1.9764724942701763
Energy: 2.018065736910659
Energy: 2.3395682941469365
Energy: 1.7433884793044747
Energy: 1.7406357978059088
Energy: 1.7381306041300808
Energy: 1.830761083377759
Energy: 2.116141978495915
Energy: 1.7480531981263645
Energy: 2.116141978340527
Energy: 1.7216614086117443
Energy: 1.7347245615791953
Energy: 2.4160551507865877
Energy: 1.7347245601714631
Energy: 1.8423200163716182
Energy: 2.104833131577486
Energy: 2.0318166473827457
Energy: 2.104833131572172
Energy: 1.9377136032285731
Energy: 2.0962119610325582
Energy: 2.092813940834628
Energy: 2.0962119610299013
Energy: 1.8364096902795222
Energy: 2.07346165561906
Energy: 2.227974599145521
Energy: 2.073461678170311
Energy: 1.8697006329899448
Energy: 1.746953711677869
Energy: 2.2706039785989875
Energy: 1.7374187946920008
Energy: 1.906777025115359
Energy: 2.0536022174854227
Energy: 2.0865446133141825
Energy: 2.053602188442782
Energy: 1.8331154223142052
Energy: 2.108777838622829
Energy: 2.043152209061205
Energy: 2.1087778387370597
Energy: 1.7384640272856957
Energy: 1.7496538847825343
Energy: 2.7483308034915677
Energy: 1.7496538591675186
Energy: 1.8281627240198068
Energy: 2.039963475922154
Energy: 1.7279807100041615
Energy: 2.0399634760908283
Energy: 2.807448530620593
Energy: 1.732132545925702
Energy: 1.7222018349316088
Energy: 1.7429683321846718
Energy: 2.020001185539329
Energy: 2.0204558675507185
Energy: 2.1354441716121557
Energy: 2.020222361184675
Energy: 2.049818395104864
Energy: 2.03159788972104
Energy: 2.013421410185767
Energy: 2.0315978897197113
Energy: 1.9967526495039203
Energy: 1.9317726846304832
Energy: 1.7774195563908013
Energy: 1.9317726846225116
Energy: 2.257389368957724
Energy: 1.9822084061299563
Energy: 1.789283543326381
Energy: 1.9822082736935966
Energy: 2.1733521534745517
Energy: 2.2236714555003223
Energy: 1.9106643184595693
Energy: 2.210880564362209
Energy: 2.239786952191402
Energy: 2.0970664226289597
Energy: 1.8410224205054302
Energy: 2.097067106182709
Energy: 2.337707008931117
Energy: 1.759819505652784
Energy: 1.7511897174393478
Energy: 1.7598194565502339
Energy: 1.992583660107364
Energy: 2.0220860130024905
Energy: 1.7648347322037676
Energy: 2.022086040282869

minimum gb energy = 1.7216614086117443 eV
minimum distance =  2.41786625364631 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.7034880978879596
Energy: 1.7088608281332724
Energy: 1.8646406175269366
Energy: 1.708822411086727
Energy: 1.7249134593452968
Energy: 1.6685524403064387
Energy: 1.6902749557250376
Energy: 1.6689463894231196
Energy: 1.7586009976039623
Energy: 1.7607667062756143
Energy: 1.755065811132325
Energy: 1.7607735917002925
Energy: 1.6886463971045222
Energy: 1.6708578701186931
Energy: 1.698839721837161
Energy: 1.6708578544061827
Energy: 1.6891740817806882
Energy: 1.6745999619116536
Energy: 1.7551392104176724
Energy: 1.6745999771885194
Energy: 2.7953400126178156
Energy: 1.676465733586048
Energy: 1.6980482774364607
Energy: 1.676465733472004
Energy: 1.676193018024875
Energy: 1.6682111126881287
Energy: 1.7099399264653383
Energy: 1.668709811495268
Energy: 1.8502531443261705
Energy: 1.6684350345205958
Energy: 2.3723492712990377
Energy: 1.6684347232517827
Energy: 2.060202200157027
Energy: 1.6751626118482796
Energy: 1.7206402692022473
Energy: 1.6767303652160404
Energy: 2.0631958415459617
Energy: 1.7988115244887204
Energy: 1.7260785002104146
Energy: 1.7988115244095093
Energy: 1.6694236380209442
Energy: 1.8082378900497906
Energy: 2.352112104350899
Energy: 1.8100659484045782
Energy: 1.8608344679609747
Energy: 2.0288739973085756
Energy: 1.7641453251687194
Energy: 2.0288739973069907
Energy: 2.0863505918803487
Energy: 1.6690471899719226
Energy: 1.6657628435210052
Energy: 1.6690471967461638
Energy: 1.704034154590237
Energy: 1.8512935670036947
Energy: 1.6800453686442915
Energy: 1.8512935681997889
Energy: 1.6707776407890365
Energy: 1.6730752124103887
Energy: 2.0955136636928566
Energy: 1.6730752324922722
Energy: 1.6880176939923601
Energy: 2.0107962711373277
Energy: 1.7677184674251365
Energy: 2.0107962711373277
Energy: 2.3624079569432803
Energy: 1.807146087312958
Energy: 1.6694820217998554
Energy: 1.8071589645527444
Energy: 1.7380958565710423
Energy: 1.8397735512725648
Energy: 2.0631958548710383
Energy: 1.8397735512187126
Energy: 1.7174179396218041
Energy: 1.667499155307472
Energy: 2.0602024900401585
Energy: 1.6677221914737967
Energy: 2.3667761088879526
Energy: 1.6678710742869467
Energy: 1.6953439530055214
Energy: 1.6678756736366553
Energy: 1.7102583510698801
Energy: 1.6678629160594944
Energy: 1.6767758291231687
Energy: 1.6701655392051387

minimum gb energy = 1.6657628435210052 eV
minimum distance =  2.40652437173017 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.9922463463998068
Energy: 2.381334781887184
Energy: 1.9355119956520261
Energy: 2.381334781887184
Energy: 2.163596965659974
Energy: 1.9548207397983741
Energy: 1.8149582712625156
Energy: 1.9548207397885735
Energy: 1.9402227504322342
Energy: 1.8516643734375218
Energy: 1.8019997116654154
Energy: 1.8516639287467376
Energy: 1.7959921651929331
Energy: 2.0094983815257956
Energy: 1.8377056356100967
Energy: 2.009498381527756
Energy: 2.0991690419326186
Energy: 1.9426911495114714
Energy: 2.297430369431704
Energy: 1.9426911407458884
Energy: 2.36820450033815
Energy: 1.8698933031697917
Energy: 1.8745191000318648
Energy: 1.869893311637574
Energy: 2.004340757928066
Energy: 2.012382297292051
Energy: 1.8931273729058864
Energy: 2.0123822965103297
Energy: 1.9459312380726692
Energy: 2.1203709767142733
Energy: 2.1792582759909473
Energy: 2.1203709767103534
Energy: 2.0400159110189384
Energy: 1.925450597127317
Energy: 1.8952195426512028
Energy: 1.9348022125823077
Energy: 2.055481613584778
Energy: 1.9131436708569325
Energy: 1.9094209722425777
Energy: 1.9009835783414262
Energy: 1.9346175262653338
Energy: 1.992762933100412
Energy: 2.270606343329467
Energy: 1.9927632018764552
Energy: 1.9776789741651364
Energy: 1.9034347068558108
Energy: 1.8683444107099696
Energy: 1.9027806705612993
Energy: 2.2179575555680895
Energy: 1.8579387633660447
Energy: 1.8134537271814295
Energy: 1.858136862743447
Energy: 2.3891207589244603
Energy: 1.962297613922217
Energy: 2.093442517876781
Energy: 1.96229762335588
Energy: 2.170093815449647
Energy: 1.8821242539875482
Energy: 2.083196719082862
Energy: 1.8825423507871961
Energy: 2.13358207633597
Energy: 2.035141940574888
Energy: 1.8294717846276234
Energy: 2.035141940574888
Energy: 2.005228851244463
Energy: 1.868400179961614
Energy: 1.8432428592429553
Energy: 1.9050691777153623

minimum gb energy = 1.7959921651929331 eV
minimum distance =  2.38678090253529 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.374670895666351
Energy: 2.2619780352282874
Energy: 2.854889017913214
Energy: 2.261978035187264
Energy: 2.4069647149973923
Energy: 1.9997484516731052
Energy: 2.0513922265511764
Energy: 1.9984322515581472
Energy: 2.134673837882461
Energy: 1.9443862559106893
Energy: 1.886436800549682
Energy: 1.9443862540354726
Energy: 1.8322200753657296
Energy: 1.921934771325983
Energy: 2.0021242979397504
Energy: 1.9219347700776719
Energy: 1.9187999044653297
Energy: 1.952730806811315
Energy: 2.3626993392534765
Energy: 1.9527309183194068
Energy: 2.139974277903322
Energy: 2.2163398613605256
Energy: 1.9849743424323216
Energy: 2.216339861354975
Energy: 2.1496264650682
Energy: 1.9094431960056752
Energy: 2.306014966973866
Energy: 1.9782513463615188
Energy: 1.9046622799807793
Energy: 1.949199152529894
Energy: 2.3901952626355403
Energy: 1.9491991530214174
Energy: 1.9003397022487367
Energy: 1.9957986177934588
Energy: 1.847527112438474
Energy: 1.9957986178633953
Energy: 2.3603629168371993
Energy: 2.0111138380654277
Energy: 2.0193504339816783
Energy: 2.011618251400787
Energy: 1.9425785022015278
Energy: 2.0097916345794893
Energy: 2.139316842388611
Energy: 2.009791634758115
Energy: 2.018200363066229
Energy: 2.0047680979713784
Energy: 2.0490736359709314
Energy: 2.0047702491861097
Energy: 2.364873501935525
Energy: 2.022831957388327
Energy: 1.940598024682069
Energy: 2.022831957585824
Energy: 1.9566952580264365
Energy: 2.0173934050063913
Energy: 1.9517842137207984
Energy: 2.017393441024343
Energy: 2.0070810211038506
Energy: 2.0427538497092783
Energy: 2.248498215310664
Energy: 2.0383324265508302
Energy: 2.268425934328777
Energy: 2.0238723156758334
Energy: 1.8687622665014296
Energy: 2.0238723156891045
Energy: 1.9211210087822392
Energy: 2.1594634088815394
Energy: 2.0094228694846485
Energy: 2.159463388544601
Energy: 1.888333753110761
Energy: 2.059627720803065
Energy: 2.120738872564788
Energy: 2.0596277202626974
Energy: 2.0187925128444855
Energy: 1.9740619952728475
Energy: 2.229221070384553
Energy: 1.9740620318467088
Energy: 2.155722286598235
Energy: 2.0017098804792606
Energy: 2.234233384117319
Energy: 2.001711528491264
Energy: 1.8906742257365823
Energy: 2.040679716705531
Energy: 2.203982538037243
Energy: 2.040679314258739
Energy: 1.8881721741374262
Energy: 2.113818268034895
Energy: 1.9152134586546978
Energy: 2.1138146344219204
Energy: 2.283613855854614
Energy: 1.959470592995875
Energy: 1.8654652364197197
Energy: 1.959505830433808
Energy: 2.2831233406558082
Energy: 1.8921590393263843
Energy: 2.0539783936627796
Energy: 1.8991985500762891
Energy: 2.2744177749468526
Energy: 2.172962040069786
Energy: 2.0573342558779766
Energy: 2.172963763786079
Energy: 2.1787441750447907
Energy: 1.9655577932325645
Energy: 1.9263833252720153
Energy: 1.9639415250409953
Energy: 1.8959102279678024
Energy: 2.0026586836932903
Energy: 1.870824288916855
Energy: 2.0026586785546736
Energy: 1.8582960002742543
Energy: 1.933124632973691
Energy: 2.3029356504453844
Energy: 1.9331246180716166
Energy: 2.3198306701720157
Energy: 2.1881015110676345
Energy: 2.2564636541682184
Energy: 2.1881015110676345
Energy: 1.9603085353765786
Energy: 2.1312049495046486
Energy: 2.00335873963828
Energy: 2.131204966315243

minimum gb energy = 1.8322200753657296 eV
minimum distance =  2.39530895893036 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6173240646762608
Energy: 1.6235011447627248
Energy: 2.441886545929574
Energy: 1.6235011446784466
Energy: 1.6287749676959504
Energy: 1.6175603881369327
Energy: 1.6285811042817975
Energy: 1.6175591190463938
Energy: 2.250485917189511
Energy: 1.7519103969424479
Energy: 1.802180347067689
Energy: 1.751901802288139
Energy: 1.8008240496159242
Energy: 1.6886123958485608
Energy: 2.252354016087565
Energy: 1.6886124349224054
Energy: 1.6307460732588017
Energy: 1.618957818173996
Energy: 1.6288118565963892
Energy: 1.6195375750718348
Energy: 5.976352328484561
Energy: 1.6235011447218348
Energy: 1.6173240646788163
Energy: 1.623501144732057
Energy: 1.6285811106067969
Energy: 1.6175593349463098
Energy: 1.6287748317855337
Energy: 1.6175684839124111
Energy: 1.802180347060022
Energy: 1.7519118171784998
Energy: 2.250485920157839
Energy: 1.7519121323724187
Energy: 2.252354595331459
Energy: 1.6886123706789582
Energy: 1.800824050047655
Energy: 1.6886123932787394
Energy: 1.6288118565784997
Energy: 1.6212386830510699
Energy: 1.6307460701499705
Energy: 1.6212385053385947
Energy: 1.6173240646788163
Energy: 1.623501144663113
Energy: 1.9526808600790855
Energy: 1.6235011446733352
Energy: 1.6287749664033726
Energy: 1.6175673287838501
Energy: 1.6285811244215915
Energy: 1.617569785981687
Energy: 2.2504859191743787
Energy: 1.751899400285705
Energy: 1.802180347060022
Energy: 1.7518996377508287

minimum gb energy = 1.6173240646762608 eV
minimum distance =  2.39071341881102 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 2.210418073367424
Energy: 2.245287743844267
Energy: 3.1449599317543186
Energy: 2.245287743844267
Energy: 2.480685694091056
Energy: 1.92686509333729
Energy: 2.190019508406596
Energy: 1.9268640804079327
Energy: 2.06733960629012
Energy: 1.9628327169281135
Energy: 1.8925314640145814
Energy: 1.9628148378353474
Energy: 1.9233086830661654
Energy: 2.001851305283151
Energy: 2.245679071052231
Energy: 2.0018513051971185
Energy: 2.042171952177928
Energy: 1.9794289024012632
Energy: 2.4815909201081676
Energy: 1.9794289027104393
Energy: 2.500903900751727
Energy: 2.1125193334970285
Energy: 2.166058096002875
Energy: 2.1125193334270325
Energy: 2.11855656037726
Energy: 1.9298097704626833
Energy: 2.479702403982661
Energy: 1.929809770351112
Energy: 1.8972037705724683
Energy: 2.032857770364563
Energy: 2.0620598193422865
Energy: 2.0328577702870003
Energy: 2.2336142544560724
Energy: 1.9781792632102997
Energy: 1.949569035754059
Energy: 1.9781792569607732
Energy: 2.215090744505851
Energy: 1.9701568395543179
Energy: 2.0804672919827256
Energy: 1.9701062647726517
Energy: 1.9886838296793188
Energy: 2.0827302315147773
Energy: 2.4699161170041743
Energy: 2.082730231520452
Energy: 2.471999013460891
Energy: 1.9913378758813642
Energy: 2.1794896739746434
Energy: 1.9913384581697338
Energy: 2.1131787335011527
Energy: 2.027588819508049
Energy: 1.9631299127113908
Energy: 2.027588851999998
Energy: 2.0559444948501255
Energy: 2.000473969633229
Energy: 2.3426878834373404
Energy: 2.0004740217323236
Energy: 2.042893009079751
Energy: 2.0566846865928703
Energy: 2.124348071605456
Energy: 2.0566846865928703
Energy: 2.4689207088361536
Energy: 2.0646103023712232
Energy: 1.967640614064167
Energy: 2.0646103036618015
Energy: 2.197212764726806
Energy: 2.116157281451824
Energy: 2.494674961625168
Energy: 2.1161572808760356
Energy: 1.9995401116045015
Energy: 2.090780767805204
Energy: 2.193544152868503
Energy: 2.09078076780615
Energy: 2.5344414004717155
Energy: 1.9625533591370383
Energy: 2.0532698844283193
Energy: 1.9625533337275565
Energy: 2.037826192124638
Energy: 2.041843976852737
Energy: 1.9611126776913916
Energy: 2.0418439554993526
Energy: 1.9232978662308948
Energy: 2.109107906557045
Energy: 2.475010631045167
Energy: 2.1091079065560985
Energy: 2.459794606158912
Energy: 1.9887203166923766
Energy: 2.232017531250399
Energy: 1.992737103939322
Energy: 2.3077965631836292
Energy: 2.134086246618879
Energy: 2.173100932062765
Energy: 2.1340862467001824
Energy: 2.056771961029117
Energy: 1.9763290006449166
Energy: 2.508926557885215
Energy: 1.9764079253404465
Energy: 1.9493245865050932
Energy: 2.0586173259647906
Energy: 1.947994778760346
Energy: 2.0586173779721335
Energy: 2.5134432324155047
Energy: 2.116363178683131
Energy: 1.971320693729162
Energy: 2.116363178735155
Energy: 2.412952780892854
Energy: 2.010568378884809
Energy: 2.5855062759368774
Energy: 2.02816605346897
Energy: 2.2329545592824926
Energy: 2.084972127572197
Energy: 2.6057390467077783
Energy: 2.0801048022259083
Energy: 2.5223156451646984
Energy: 2.1559103773605126
Energy: 2.0014497115861136
Energy: 2.1559103773567285
Energy: 1.9839757861467129
Energy: 2.1436558208716265
Energy: 1.932041449604731
Energy: 2.143655837205526
Energy: 2.05816985434057
Energy: 2.040067282504337
Energy: 2.5790011229044856
Energy: 2.040078577484522
Energy: 2.276881541846355
Energy: 2.0532058287775663
Energy: 2.175544094278419
Energy: 2.0541064409319554
Energy: 2.535158486033521
Energy: 2.059226922314337
Energy: 2.1934320422146776
Energy: 2.059226926794881
Energy: 2.0084513012268297
Energy: 2.1018366159546598
Energy: 2.5056305207377605
Energy: 2.1018366159707402
Energy: 1.990505039790063
Energy: 2.0873789509950935
Energy: 1.9685233910657811
Energy: 2.0873789863896723

minimum gb energy = 1.8925314640145814 eV
minimum distance =  2.34561565102121 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.2880271113222657
Energy: 2.172251956275586
Energy: 3.074421453330876
Energy: 2.1722519562440707
Energy: 2.4114511983370193
Energy: 2.0293700443976714
Energy: 2.116499040351647
Energy: 2.025253188733098
Energy: 1.9944993316240998
Energy: 2.1113570541421267
Energy: 1.8987393904727519
Energy: 2.1113570541436273
Energy: 1.928352205325028
Energy: 2.050109576943562
Energy: 2.152068885494336
Energy: 2.050109576942061
Energy: 2.216242613345393
Energy: 1.9934741390078106
Energy: 2.250509336014227
Energy: 1.9934740242379962
Energy: 2.7007826821363996
Energy: 2.125710644243097
Energy: 2.0037767681153418
Energy: 2.125710644243097
Energy: 2.076056270553659
Energy: 2.014737613558474
Energy: 2.431724962852765
Energy: 2.0147376136304747
Energy: 1.9628937205394206
Energy: 2.0389207695042417
Energy: 2.1815722208766615
Energy: 2.0389207695042417
Energy: 2.5071164203440746
Energy: 2.075642400592436
Energy: 2.123797469684842
Energy: 2.0754403632292653
Energy: 1.9912933339891516
Energy: 2.0739587484345634
Energy: 2.089723832669344
Energy: 2.069438262242224
Energy: 1.978805934738128
Energy: 1.9838704535241847
Energy: 2.627548163883181
Energy: 1.9729674076898096
Energy: 2.4925117029949853
Energy: 2.05782227500584
Energy: 2.2939381625147974
Energy: 2.0578222823306596
Energy: 2.305421360317384
Energy: 2.1648020043241982
Energy: 2.021069864703643
Energy: 2.1648020043512113
Energy: 2.094225608062706
Energy: 2.023137954700137
Energy: 2.566909789095023
Energy: 2.023137992962244
Energy: 1.939112628751723
Energy: 2.061238849093863
Energy: 2.0682971116766327
Energy: 2.061238849021863
Energy: 2.359972232314443
Energy: 2.158569415527979
Energy: 1.896745712530515
Energy: 2.1585694155324813
Energy: 2.3035530433167763
Energy: 2.172012837518182
Energy: 2.724467569657801
Energy: 2.1720128371206933
Energy: 2.2811879782262605
Energy: 2.1626265002042317
Energy: 2.7321163818593486
Energy: 2.1626264110179916
Energy: 2.5641381939514134
Energy: 2.1178386819942876
Energy: 2.1544847343697002
Energy: 2.1178386816462544
Energy: 1.954949758627013
Energy: 2.167447458499598
Energy: 1.9325954686633335
Energy: 2.1674474581185827
Energy: 2.041433718707241
Energy: 2.0758207077534827
Energy: 2.617212581868438
Energy: 2.0758209049862377
Energy: 2.252374988934879
Energy: 2.1102640635047156
Energy: 2.010874892389227
Energy: 2.110342222953584

minimum gb energy = 1.896745712530515 eV
minimum distance =  2.3359082044934 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.3342296791379447
Energy: 2.1376158457525984
Energy: 4.435899005316119
Energy: 2.13761584575366
Energy: 2.424561886272442
Energy: 2.0865872537843626
Energy: 2.133023756831671
Energy: 2.086586648796717
Energy: 2.0839867706005615
Energy: 2.043907932218559
Energy: 1.9442375510159873
Energy: 2.0439079329748395
Energy: 1.9664336151335031
Energy: 2.0514895932929176
Energy: 2.079607395256648
Energy: 2.051489593260069
Energy: 2.1145900132455577
Energy: 2.0499202573618613
Energy: 1.9432764220508543
Energy: 2.049920255822771
Energy: 2.687919319115685
Energy: 2.01027540724446
Energy: 1.9284069975801834
Energy: 2.010272451072726
Energy: 1.9869444551474356
Energy: 2.0250199066189785
Energy: 2.510803885234571
Energy: 2.048809810016799
Energy: 1.9350905055262455
Energy: 2.02197608708793
Energy: 2.2059952930560622
Energy: 2.02197605545771
Energy: 2.524004550225832
Energy: 2.147620692977143
Energy: 2.0445813070541483
Energy: 2.1476206831147215
Energy: 2.002292545922419
Energy: 1.9981644764664266
Energy: 1.974846750154855
Energy: 1.9981633931339549
Energy: 2.010924314457013
Energy: 2.1591059253136318
Energy: 2.2324088808354685
Energy: 2.1591059253136318
Energy: 2.780064038895456
Energy: 2.163229041378814
Energy: 2.339019561582813
Energy: 2.1632290413565296
Energy: 2.793083404346301
Energy: 2.187910915787519
Energy: 2.3156755283754724
Energy: 2.187910915787519
Energy: 2.0555363528098645
Energy: 2.1207122931599502
Energy: 2.5198597779088003
Energy: 2.1207122931737454
Energy: 1.9738873211895729
Energy: 2.180435130289618
Energy: 1.9880827779269346
Energy: 2.1804351303553626
Energy: 2.551639665585091
Energy: 2.2295204909406023
Energy: 2.041619582256158
Energy: 2.2295204912598723
Energy: 1.9555076670192997
Energy: 1.9636652331217235
Energy: 2.149707607035531
Energy: 1.9288284643326896
Energy: 2.109162154686248
Energy: 2.0489529077259387
Energy: 2.616162921591434
Energy: 2.048974720867344
Energy: 2.6503578877702503
Energy: 1.9984599241112158
Energy: 1.9496501427117539
Energy: 1.972161664733914
Energy: 2.121065199656349
Energy: 2.059086524142203
Energy: 1.9866340362095514
Energy: 2.0590865242408443
Energy: 1.988794428916658
Energy: 2.0902954814193655
Energy: 2.06290346797519
Energy: 2.0902954853354894
Energy: 2.0646241323331767
Energy: 2.1122528549347312
Energy: 1.9528682507635469
Energy: 2.112252854816989
Energy: 2.4548662222334783
Energy: 2.0663371053001027
Energy: 2.0763728135207025
Energy: 2.066337105321326
Energy: 2.3173532764299964
Energy: 2.148169641494535
Energy: 3.5279676186384132
Energy: 2.1481696415146976
Energy: 2.3604382317043573
Energy: 1.99801913889872
Energy: 1.9609045872419533
Energy: 2.0001519114804975
Energy: 2.4019653066870474
Energy: 2.0437482307043964
Energy: 1.9644512765986784
Energy: 2.0437483443005444
Energy: 1.9610560004495794
Energy: 2.0370228158029526
Energy: 2.0942642089004173
Energy: 2.0370228334328897
Energy: 2.1246716997580712
Energy: 2.074952862373556
Energy: 2.4608397768550816
Energy: 2.0749531076392156
Energy: 2.269648599312615
Energy: 2.08180100849318
Energy: 1.9172207653765636
Energy: 2.081801008494241
Energy: 2.567760628862165
Energy: 2.042257066858368
Energy: 2.468275983344066
Energy: 2.0422570668445723
Energy: 1.936982020623276
Energy: 2.0254515494010907
Energy: 2.2684467569068723
Energy: 2.025451665779448

minimum gb energy = 1.9172207653765636 eV
minimum distance =  2.33940105578132 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.7463537724749267
Energy: 2.0117512058947673
Energy: 3.307986719796201
Energy: 2.01175120589333
Energy: 2.3847951225628314
Energy: 1.8120870715749833
Energy: 1.823138839717802
Energy: 1.812087069677264
Energy: 2.2801508466217566
Energy: 1.7278081505094431
Energy: 1.7150608233777365
Energy: 1.7278084048262428
Energy: 2.5087724359443175
Energy: 1.8426533996997194
Energy: 1.7233011131748914
Energy: 1.833971797734934
Energy: 2.5386269309631815
Energy: 1.906789939702998
Energy: 1.819569557856087
Energy: 1.8986914305803146
Energy: 2.3535388998332687
Energy: 1.7482622886602537
Energy: 1.7509724099221755
Energy: 1.7630225447869006
Energy: 2.419833890387035
Energy: 1.7471515388622532
Energy: 2.338941172119639
Energy: 1.747159000368637
Energy: 1.771034414878321
Energy: 1.7524961281148483
Energy: 2.979017871571751
Energy: 1.7431484786525544
Energy: 2.397123377254099
Energy: 2.0111506714231067
Energy: 1.955312861329593
Energy: 2.011144150507333

minimum gb energy = 1.7150608233777365 eV
minimum distance =  2.42666523309982 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 2.2619927806983773
Energy: 2.1598062664372764
Energy: 3.4572192275088627
Energy: 2.1598062664402833
Energy: 2.3096485770976725
Energy: 2.1168147404636044
Energy: 2.1139005128144626
Energy: 2.0810308972894367
Energy: 2.0853472245645444
Energy: 2.0240555747056224
Energy: 1.9806458137064913
Energy: 2.0240555747056224
Energy: 2.066214909940957
Energy: 2.2266481575379657
Energy: 2.2064513069346727
Energy: 2.226648157710334
Energy: 1.9302273079003285
Energy: 2.056938639804792
Energy: 1.9652642940278051
Energy: 2.0569386398077993
Energy: 2.2173267482641754
Energy: 2.0674843910476177
Energy: 1.9469148341808329
Energy: 2.067486222229325
Energy: 2.1738524408182403
Energy: 2.0295453053918395
Energy: 2.197672972663236
Energy: 2.029545305385825
Energy: 2.1691970626275396
Energy: 2.008055914342297
Energy: 2.432481540561688
Energy: 2.0080559109676903
Energy: 2.6683842130555036
Energy: 1.976931314476511
Energy: 2.199256915842791
Energy: 1.9744319339306684
Energy: 2.523694546052787
Energy: 2.0341478458020408
Energy: 2.1936127775389997
Energy: 2.034142505549269
Energy: 2.00292833524629
Energy: 2.047108572114723
Energy: 2.404914963026741
Energy: 2.047077133408977
Energy: 1.9872379768315442
Energy: 2.033561086644512
Energy: 1.958211583181964
Energy: 2.033561087639448
Energy: 2.2423184091668342
Energy: 2.2942348948062175
Energy: 2.0220786905939665
Energy: 2.294234898953362
Energy: 1.91383486178734
Energy: 1.9933816688231665
Energy: 2.0037318012101606
Energy: 1.9933816681659053
Energy: 2.0269949843468162
Energy: 2.4134868422697022
Energy: 2.2765969051474415
Energy: 2.4134868422697022
Energy: 2.9813075574377197
Energy: 2.127530702762879
Energy: 2.1999182564568764
Energy: 2.1275307027708985
Energy: 2.163290628460241
Energy: 2.121158190352794
Energy: 2.1669402700268607
Energy: 2.1457684272993793
Energy: 1.9849078032552232
Energy: 2.066509071485449
Energy: 2.263306784504179
Energy: 2.0665090714864514
Energy: 2.22100223719147
Energy: 2.022457076394593
Energy: 2.087669615036541
Energy: 2.0178742818100748
Energy: 2.0071254258902673
Energy: 2.0444918167633013
Energy: 1.9238328915924157
Energy: 2.044491816762299
Energy: 1.9698664522514104
Energy: 2.1058949759868972
Energy: 2.163759122141544
Energy: 2.1058913840885363
Energy: 2.1446264503722454
Energy: 2.014487125521045
Energy: 2.0052664414600745
Energy: 2.0144871265871056
Energy: 2.183824391308181
Energy: 2.0175899353351476
Energy: 1.999280311356831
Energy: 2.0175903476219177
Energy: 2.461263086217706
Energy: 2.0334985425938665
Energy: 2.720930353688372
Energy: 2.0334627928718323
Energy: 2.468768276849843
Energy: 2.0554507397802655
Energy: 2.9102519399594065
Energy: 2.0554507573918013
Energy: 2.2544360845403113
Energy: 2.042398794644137
Energy: 2.008938644408794
Energy: 2.04239913473146
Energy: 2.031446771562738
Energy: 2.0254344745200843
Energy: 1.9748410639765754
Energy: 2.0254344744168815
Energy: 2.0791923710717746
Energy: 2.2324611471998423
Energy: 2.316952853808124
Energy: 2.2324611679665036
Energy: 1.9756968032521738
Energy: 2.0588102581715098
Energy: 1.9217121158554218
Energy: 2.0588102581705074
Energy: 2.2980653927643835
Energy: 2.4150473851012233
Energy: 2.2771285212322887
Energy: 2.415047405476125
Energy: 2.171772421831216
Energy: 2.0346035503532645
Energy: 2.219656682080467
Energy: 2.0346035503362234
Energy: 2.2316316446811526
Energy: 2.0518877652932668
Energy: 2.344883957288374
Energy: 2.05448354690423
Energy: 2.8697857551348434
Energy: 2.1255512427813423
Energy: 2.1947392758392024
Energy: 2.1255513792988037

minimum gb energy = 1.91383486178734 eV
minimum distance =  2.39093073966061 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.9671407998531667
Energy: 1.9186811754733635
Energy: 3.0886755239168924
Energy: 1.9186811754761355
Energy: 1.988315441600613
Energy: 2.3221212308749917
Energy: 2.0039133302622227
Energy: 2.322121224460668
Energy: 2.2594336669347923
Energy: 1.9177836595028523
Energy: 2.0183975865348835
Energy: 1.9177836595319266
Energy: 2.085935079811918
Energy: 1.9343303750373866
Energy: 2.021377072691837
Energy: 1.9343303704836672
Energy: 1.8897229185064417
Energy: 1.9113950107536328
Energy: 1.9394643615828597
Energy: 1.91139500788037
Energy: 2.182424960641375
Energy: 2.207682782043047
Energy: 1.9773009160390116
Energy: 2.2076827820554894
Energy: 1.9961407689553636
Energy: 1.9220606529087791
Energy: 2.208570361406192
Energy: 1.9220606529115511
Energy: 1.9953525902738096
Energy: 1.9308654924850912
Energy: 2.269541421635581
Energy: 1.9308658344093752
Energy: 3.0435084004170037
Energy: 1.915547713652604
Energy: 1.9662410583481265
Energy: 1.9155592224593139
Energy: 3.0435079823065045
Energy: 1.9807639823396206
Energy: 1.9658141406053222
Energy: 1.9807639823354626
Energy: 1.9930299393422284
Energy: 1.9564652729815042
Energy: 2.2775378072379873
Energy: 1.9564652598882888
Energy: 1.9950205149834432
Energy: 1.9526277750760481
Energy: 2.2085703609143836
Energy: 1.9526277750760481
Energy: 1.935919107845574
Energy: 2.021969092868622
Energy: 1.9381964454427572
Energy: 1.994962847950265
Energy: 1.8897981139793296
Energy: 1.9119307463057094
Energy: 1.944796703200263
Energy: 1.9119307460147765
Energy: 2.1230814014704515
Energy: 1.9422814934357637
Energy: 2.0258126622507406
Energy: 1.9422814933928296
Energy: 2.259433666803186
Energy: 1.9173004510576235
Energy: 2.0336752000841662
Energy: 1.9173004510797993
Energy: 1.9885631708732432
Energy: 1.948177856978246
Energy: 1.99921776895297
Energy: 1.9520685114282763
Energy: 1.9671407998531667
Energy: 1.9186811754428716
Energy: 3.0886755499384844
Energy: 1.9186811754484157
Energy: 1.9883154415936832
Energy: 2.3221213241069036
Energy: 2.003913332548107
Energy: 2.3221213240085294
Energy: 2.2594336671398567
Energy: 1.9177836599960463
Energy: 2.0183975867496184
Energy: 1.9177836599863443
Energy: 2.0859350836757273
Energy: 1.9343311072010625
Energy: 2.021376428350155
Energy: 1.934331398690579
Energy: 1.8897229185064417
Energy: 1.9113950576432128
Energy: 1.9394643614290772
Energy: 1.9113950759856655
Energy: 2.182424960594282
Energy: 2.2076827819820632
Energy: 1.9773011471799882
Energy: 2.207682781979291
Energy: 1.9961407689553636
Energy: 1.922060652912937
Energy: 2.2085703614034196
Energy: 1.9220606529115511

minimum gb energy = 1.8897229185064417 eV
minimum distance =  2.39530820407471 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 2.4234383212138426
Energy: 2.096469487780784
Energy: 3.717854231167991
Energy: 2.0964695249782497
Energy: 2.2137171350467835
Energy: 2.0292451227321617
Energy: 2.124345968433941
Energy: 2.067736585720713
Energy: 2.1151361695722555
Energy: 1.97342324063931
Energy: 2.009121733336688
Energy: 1.9734232406358831
Energy: 2.0779217833143204
Energy: 2.3259065530891925
Energy: 2.2081987446179996
Energy: 2.3259065536020955
Energy: 1.936235111561249
Energy: 1.9637885990133914
Energy: 1.98326145620391
Energy: 1.9637885990048247
Energy: 2.1184806450711604
Energy: 2.0484692694974513
Energy: 2.0201871556826014
Energy: 2.073216633177187
Energy: 1.9821020725638696
Energy: 1.979101698367606
Energy: 2.009361325599274
Energy: 1.9791016983427632
Energy: 2.0058396247598744
Energy: 1.9753866225302743
Energy: 2.1149868022612215
Energy: 1.975386695196396
Energy: 2.6244668890950935
Energy: 2.0021667389699194
Energy: 2.309830176021553
Energy: 2.0021666816482906
Energy: 2.913407039556503
Energy: 2.0061844553340404
Energy: 2.313924622915791
Energy: 2.0083215181105616
Energy: 2.095429629511943
Energy: 2.0028111382051774
Energy: 2.4801183479928297
Energy: 2.0028108292422155
Energy: 2.1238620883354224
Energy: 1.9855624172582955
Energy: 2.3108593960239516
Energy: 1.9855624129992373
Energy: 2.112897152109195
Energy: 1.9884224745877774
Energy: 2.0030460548621236
Energy: 1.98391505332841
Energy: 1.9430244609692044
Energy: 1.9946695491042274
Energy: 2.0122769220684393
Energy: 1.9946695490999442
Energy: 1.9864612611601615
Energy: 2.0326808084339696
Energy: 2.0593260843493995
Energy: 2.032680799288081
Energy: 1.9836902152934557
Energy: 1.9881470138696002
Energy: 1.921843630386254
Energy: 1.9881470134003865
Energy: 2.1925978669284634
Energy: 2.0936708346678157
Energy: 2.121497496829101
Energy: 2.0936543629536684
Energy: 2.1283533018240957
Energy: 1.9799304413164251
Energy: 2.7801923462803444
Energy: 1.9799304414594088
Energy: 2.109461313850344
Energy: 2.1967210068562473
Energy: 2.1439116289415825
Energy: 2.1966220651008492
Energy: 2.9835190562126623
Energy: 2.054832961966981
Energy: 2.146477897306276
Energy: 2.054828378626964
Energy: 2.180663067452177
Energy: 2.0557577222761902
Energy: 2.1792039731245576
Energy: 2.0578930592496274
Energy: 1.982612153009161
Energy: 1.962564981586517
Energy: 2.078871766318577
Energy: 1.9625649822201308
Energy: 2.131868335141022
Energy: 2.191079347738934
Energy: 2.1418089369222906
Energy: 2.1910992135826417
Energy: 1.937443518677135
Energy: 1.973615857324314
Energy: 1.9086184589741073
Energy: 1.9736158573380207
Energy: 2.024715294336688
Energy: 2.0292294214224813
Energy: 2.162659160698019
Energy: 2.031803837750684
Energy: 2.0514298737217374
Energy: 1.966291445412834
Energy: 2.0034994657315597
Energy: 1.9662906436592122
Energy: 2.131817592384201
Energy: 1.9686178509949446
Energy: 2.103056978219874
Energy: 1.967744801370695
Energy: 2.335766545026602
Energy: 2.028777495439034
Energy: 3.2630227351157735
Energy: 2.0306645998670327
Energy: 2.3353202479230615
Energy: 2.039839265992465
Energy: 2.5439176217949293
Energy: 2.0398475789823403
Energy: 2.189542372880647
Energy: 1.9842356614778438
Energy: 1.9887353323405514
Energy: 1.9842356616191141
Energy: 2.05585570702316
Energy: 1.970694564977922
Energy: 2.1022514124104794
Energy: 1.97069457432419
Energy: 1.949181259129627
Energy: 1.9952016633470988
Energy: 2.0473468509066843
Energy: 1.9952014257982953
Energy: 1.9993878497420559
Energy: 1.968622635530572
Energy: 1.923217200357617
Energy: 1.9686228528481298
Energy: 2.144843440656599
Energy: 1.9854429408997898
Energy: 2.0536678897347125
Energy: 1.9854429486413863
Energy: 1.9724731371562574
Energy: 1.9704116336606619
Energy: 2.031943392023284
Energy: 1.970411633650382
Energy: 2.105266268065968
Energy: 2.0750682084498457
Energy: 2.232405474814876
Energy: 2.075065719623318
Energy: 3.4184988926884863
Energy: 2.0455073182372345
Energy: 2.1429086804019217
Energy: 2.04550731142472
Energy: 2.2257514020564426
Energy: 2.087190798960558
Energy: 2.136712844744471
Energy: 2.0857285628692064

minimum gb energy = 1.9086184589741073 eV
minimum distance =  2.42070554643786 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.180280233509549
Energy: 1.8757696453094406
Energy: 3.0031119292262964
Energy: 1.8757696453094406
Energy: 2.2137751305460664
Energy: 1.9362081619964062
Energy: 2.0563929943280597
Energy: 1.9366186476133163
Energy: 2.29938584352363
Energy: 1.9266374241574022
Energy: 1.841469037162962
Energy: 1.9266374241574022
Energy: 2.0084336199872386
Energy: 1.9206383169806487
Energy: 2.0995861538529166
Energy: 1.9168406420606487
Energy: 1.8772487067192283
Energy: 1.9204995126120223
Energy: 2.0213858069817445
Energy: 1.9204995126120223
Energy: 2.001210441132661
Energy: 2.164600266748908
Energy: 2.119296103326456
Energy: 2.1662680207573075
Energy: 1.878509068647082
Energy: 1.892059397694706
Energy: 2.021663064475717
Energy: 1.8920594059351015
Energy: 1.9151871638781695
Energy: 1.9138342733677012
Energy: 2.214696134558379
Energy: 1.9094975943692127
Energy: 2.2581919685667162
Energy: 1.9370664015693195
Energy: 1.8405904969556126
Energy: 1.937066401582768
Energy: 2.398212214998549
Energy: 1.908418256010055
Energy: 1.8710425957482673
Energy: 1.9084186295928753
Energy: 2.115217896546159
Energy: 1.8862434596358435
Energy: 3.9019776424544177
Energy: 1.886243592772836
Energy: 2.103037173112588
Energy: 1.9001655896397405
Energy: 3.008304305371284
Energy: 1.900165589944425
Energy: 2.392887052933634
Energy: 1.9211634251140608
Energy: 1.8401447168596912
Energy: 1.9211634251163023
Energy: 2.2674483247573085
Energy: 1.9270554238234128
Energy: 1.8411608631000849
Energy: 1.9270554474311057
Energy: 1.8778902654905811
Energy: 1.9117210324608798
Energy: 2.1506887746221803
Energy: 1.911706350892642

minimum gb energy = 1.8401447168596912 eV
minimum distance =  2.38981510982298 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 2.1315866717351586
Energy: 2.1390519903772707
Energy: 3.091058073087043
Energy: 2.1390519903706946
Energy: 2.105578532851484
Energy: 2.1760212204037575
Energy: 2.065644982389648
Energy: 2.1801937396473847
Energy: 2.18331039099495
Energy: 1.8619060401542105
Energy: 2.0619248958451046
Energy: 1.8619060401814553
Energy: 2.049506245300041
Energy: 2.2065001442570287
Energy: 2.0380741798729645
Energy: 2.2065000603080294
Energy: 1.9046375923431973
Energy: 1.8202317828938737
Energy: 2.1305208098792807
Energy: 1.8202332361654516
Energy: 2.040049037242154
Energy: 2.066253809420001
Energy: 1.973924648972541
Energy: 2.066253809531756
Energy: 1.8929526222093325
Energy: 1.7718392909289296
Energy: 1.9085033232012372
Energy: 1.7718392909467795
Energy: 1.9358288449315946
Energy: 1.9032355990369243
Energy: 1.9931252024702155
Energy: 1.9275704624888872
Energy: 2.017359093606725
Energy: 1.8209117947329072
Energy: 1.8768893642763118
Energy: 1.8209117947629705
Energy: 2.0152615563595893
Energy: 1.8278219769377926
Energy: 1.9956331808928165
Energy: 1.827821980926933
Energy: 2.0095181961739645
Energy: 1.8383407924211483
Energy: 2.25937408913528
Energy: 1.838340792157284
Energy: 2.0002039227447677
Energy: 1.8651292096248497
Energy: 2.0173477431481275
Energy: 1.8651305216413534
Energy: 2.8868702086336144
Energy: 1.9630594603945377
Energy: 1.9622918939493181
Energy: 1.963059460461198
Energy: 2.1031508549452336
Energy: 1.9255491116330852
Energy: 2.2337652425220242
Energy: 1.9255938318655441
Energy: 2.0113703088048536
Energy: 1.8928989073704399
Energy: 2.3247763310819756
Energy: 1.8928989073563476
Energy: 1.9999427787515034
Energy: 1.8290932149418686
Energy: 2.0800025277644805
Energy: 1.8290945142576047
Energy: 2.0538903456652107
Energy: 1.8185444051639028
Energy: 1.8873248897124173
Energy: 1.8185442290670182
Energy: 2.0383750228746798
Energy: 1.82354702380405
Energy: 1.9954524547697403
Energy: 1.8235470238359923
Energy: 1.9005679509194653
Energy: 1.7833473676020581
Energy: 1.9470843155479287
Energy: 1.783347367263975
Energy: 1.9265422079174566
Energy: 1.8485561646064814
Energy: 1.8773205685569967
Energy: 1.8485561646064814
Energy: 2.012403163128072
Energy: 1.8201905562642777
Energy: 2.031331699603691
Energy: 1.8201905494439
Energy: 1.8770756674551121
Energy: 1.8246698246373447
Energy: 2.019359312080502
Energy: 1.8246697275706223
Energy: 2.1830964472025327
Energy: 1.8756952197932653
Energy: 2.0068598980858563
Energy: 1.8756952198111152
Energy: 2.2662742371232767
Energy: 1.8324753000379355
Energy: 2.002892221092343
Energy: 1.8324752146211771
Energy: 2.245333404642062
Energy: 2.028919681627746
Energy: 2.0329655496033303
Energy: 2.02891974003715
Energy: 2.098016867446989
Energy: 2.010758870712018
Energy: 3.4518713663944305
Energy: 2.0059275943942323
Energy: 2.079996445580184
Energy: 1.8378865908283997
Energy: 2.000172941498066
Energy: 1.837993464465777
Energy: 2.159602153359334
Energy: 1.8801792518614824
Energy: 2.0102485200256637
Energy: 1.880179251850209
Energy: 2.005665293888092
Energy: 1.848310259856063
Energy: 2.0054957245809586
Energy: 1.8483102594785648
Energy: 1.875433470946033
Energy: 1.8189553214540515
Energy: 2.014745916161795
Energy: 1.8189544455991062
Energy: 1.9922149296037102
Energy: 2.073715372437309
Energy: 2.0130866930596567
Energy: 1.9378541952772017
Energy: 1.8824274743910332
Energy: 1.7769182792943299
Energy: 1.8803317008577647
Energy: 1.7769182796831018
Energy: 1.9181934357796826
Energy: 1.84285437717141
Energy: 2.0313168225750586
Energy: 1.849249172046238
Energy: 2.0309355868073036
Energy: 1.823724292298654
Energy: 1.905840947096464
Energy: 1.8237242923005328
Energy: 2.0237001654399727
Energy: 2.1495616780935953
Energy: 1.9938937227400886
Energy: 2.1495764158842925

minimum gb energy = 1.7718392909289296 eV
minimum distance =  2.36489285006221 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 2.1150820121176253
Energy: 1.8204630031573683
Energy: 2.7211960795799826
Energy: 1.8204630031589846
Energy: 1.9594050054249235
Energy: 2.271979871507039
Energy: 2.0304138062586783
Energy: 2.2738084178581466
Energy: 2.2118379213661057
Energy: 1.7196549337771454
Energy: 1.9431120759242537
Energy: 1.7196549337852267
Energy: 2.0518741978041746
Energy: 1.8276933544401426
Energy: 1.9746214938962894
Energy: 1.81435096815772
Energy: 1.8075185572538026
Energy: 1.7171393812317695
Energy: 2.0034130488895903
Energy: 1.7171393575872198
Energy: 2.0194175111902566
Energy: 2.147033415382328
Energy: 1.8829805115641747
Energy: 2.14703341535485
Energy: 1.8596868934291768
Energy: 1.7399205333930334
Energy: 1.8155614311527535
Energy: 1.7399205333235679
Energy: 2.0268858151103735
Energy: 2.3034623117570163
Energy: 1.9567329604897055
Energy: 2.3034623117618653
Energy: 1.8427985166572791
Energy: 1.7259503239449001
Energy: 1.8201622958981787
Energy: 1.7259503239432836
Energy: 2.03525861781978
Energy: 1.7560827940665245
Energy: 1.8906376571312025
Energy: 1.7401958143565952
Energy: 1.7820904908553388
Energy: 1.7331429311162219
Energy: 2.006004263816558
Energy: 1.7331429311146056
Energy: 1.8629436423640364
Energy: 1.7544091684801941
Energy: 1.8378843168539258
Energy: 1.7544089208368048
Energy: 2.2018919309803384
Energy: 1.7199083753915636
Energy: 1.9771160617346943
Energy: 1.7199083777309871
Energy: 1.9836097938276602
Energy: 1.7165301242995001
Energy: 1.958764324720929
Energy: 1.7149427241962558
Energy: 2.0525105943245605
Energy: 1.822020477311236
Energy: 3.3806096706702236
Energy: 1.8220204954384644
Energy: 2.0660302135212727
Energy: 1.9374693366834665
Energy: 2.031366796032274
Energy: 1.9328067381954352
Energy: 2.2685040310691003
Energy: 1.7521028292038288
Energy: 1.988640520146651
Energy: 1.752102829200596
Energy: 1.9393820306050824
Energy: 1.741642767029343
Energy: 1.9608102444976163
Energy: 1.7416436088497953
Energy: 1.7820178502160744
Energy: 1.7179870309240581
Energy: 2.0547427807010377
Energy: 1.7179870309612337
Energy: 1.798773630950251
Energy: 1.7549798876513316
Energy: 2.0506875706940035
Energy: 1.754979790843583

minimum gb energy = 1.7149427241962558 eV
minimum distance =  2.3971897880268 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.0575406658741953
Energy: 1.7383766293455916
Energy: 2.480366790691648
Energy: 1.7383766293140954
Energy: 1.9400024864350964
Energy: 2.437895593061838
Energy: 2.091805620126582
Energy: 2.437895593061838
Energy: 2.0584433420103383
Energy: 1.6490128629434495
Energy: 2.015380278702414
Energy: 1.649012862947236
Energy: 1.9116647553223487
Energy: 1.7641966107644362
Energy: 2.043088033244798
Energy: 1.729854246514495
Energy: 1.8110377218888005
Energy: 1.593696914820911
Energy: 1.869958735153091
Energy: 1.59369691482464
Energy: 1.9339346003286293
Energy: 1.7195988945658252
Energy: 1.9541143418078548
Energy: 1.7350836305707147
Energy: 1.7996550395455948
Energy: 1.5990881933191456
Energy: 1.799408954695297
Energy: 1.5990881929621308
Energy: 1.9009640048930032
Energy: 1.6194386508518588
Energy: 1.9539156349622828
Energy: 1.6626030724894956
Energy: 1.7105532503442338
Energy: 1.5943187348240837
Energy: 1.7203129633792913
Energy: 1.5943187348329189
Energy: 1.8838745260869159
Energy: 1.6888152316161973
Energy: 1.8726572167199707
Energy: 1.7174116213324002
Energy: 1.7024486456994095
Energy: 1.5974116975938792
Energy: 1.7336423317962135
Energy: 1.5974116975938792
Energy: 1.8422921244557062
Energy: 1.6350652041744236
Energy: 1.9624113851378808
Energy: 1.6150094296028819
Energy: 1.7924474429346884
Energy: 1.592570863825121
Energy: 1.750713159325253
Energy: 1.5925708638213345
Energy: 1.8845243416232496
Energy: 1.6383790917475283
Energy: 1.8317060732603712
Energy: 1.6505832126961468
Energy: 1.7870395744210297
Energy: 1.5940688414158732
Energy: 1.8577708576772727
Energy: 1.5940688408670696
Energy: 1.9292054625789365
Energy: 1.6193674659801698
Energy: 1.837865382444036
Energy: 1.6193675148451547
Energy: 2.056735261912599
Energy: 1.6491719456844771
Energy: 1.9302258593459258
Energy: 1.6491719429392537
Energy: 1.8476814052013415
Energy: 1.8713627527913546
Energy: 1.9467362521572353
Energy: 1.8714301772972204
Energy: 2.01469249284646
Energy: 1.7274759858905322
Energy: 2.419705144002063
Energy: 1.727475971904586
Energy: 2.122125443633703
Energy: 1.749794466552433
Energy: 1.8306391674268754
Energy: 1.7486761385780407
Energy: 2.0818268381382294
Energy: 1.6430865474881673
Energy: 1.9349470558301505
Energy: 1.6430855952893255
Energy: 1.861126195506429
Energy: 1.7015348223592108
Energy: 1.9353297947473322
Energy: 1.70045105406632
Energy: 1.7866345598198339
Energy: 1.5972149668418063
Energy: 1.9077166387145112
Energy: 1.5972149668481168
Energy: 1.881288945353556
Energy: 1.6046920252507253
Energy: 1.85632533081255
Energy: 1.6020495043937386
Energy: 1.8143441727828773
Energy: 1.6230904654452556
Energy: 1.7489825816269877
Energy: 1.623090465450304
Energy: 1.8335531481348644
Energy: 1.629852803108853
Energy: 1.7793791858562324
Energy: 1.6298697222435596

minimum gb energy = 1.5925708638213345 eV
minimum distance =  2.40586319683092 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.1129964170322415
Energy: 1.6233141452933244
Energy: 2.2937387367019815
Energy: 1.623314145276815
Energy: 1.9791365888760017
Energy: 2.261908109397296
Energy: 1.943237985136112
Energy: 2.257375945440354
Energy: 1.9166330980947568
Energy: 1.5681352810986762
Energy: 1.9281635612614614
Energy: 1.5681352810935025
Energy: 1.9982733125603893
Energy: 2.2810553493653454
Energy: 1.7877758792835476
Energy: 2.2810555683282137
Energy: 1.8831877801950245
Energy: 1.5246511591940306
Energy: 1.7600904448629735
Energy: 1.5246511592043783
Energy: 1.9940422256277786
Energy: 2.128313749315056
Energy: 1.8198827534591755
Energy: 1.7069121851324707
Energy: 1.6866896282712123
Energy: 1.5018021143462683
Energy: 1.8915523430897836
Energy: 1.5018021143411413
Energy: 1.8787704775395047
Energy: 2.173870232338658
Energy: 1.8787516249217895
Energy: 2.173870232450317
Energy: 1.7369516250165977
Energy: 1.4864483476843235
Energy: 1.6428056621233043
Energy: 1.4864483466924197
Energy: 1.8718607842339618
Energy: 1.807905812543407
Energy: 1.9358877148453415
Energy: 1.801756487539988
Energy: 1.656482765108702
Energy: 1.491931473302295
Energy: 1.654595317593623
Energy: 1.491931473302295
Energy: 1.8125047256427649
Energy: 1.5596068470055982
Energy: 1.8033229319059678
Energy: 1.5410519842607535
Energy: 1.6684057455096137
Energy: 1.4986347644565925
Energy: 1.6450359231435687
Energy: 1.4986347644607314
Energy: 1.8986901920008843
Energy: 1.5259047214187802
Energy: 1.8099106434966434
Energy: 1.5066417438963533
Energy: 1.709704159340955
Energy: 1.4988012053795223
Energy: 1.652827373856684
Energy: 1.4988012053764181
Energy: 1.7914851728957053
Energy: 1.5092184123639882
Energy: 1.8273658116626101
Energy: 1.5035777205575458
Energy: 1.6936019648432235
Energy: 1.4993284887519636
Energy: 1.7245564700362035
Energy: 1.4993284887571374
Energy: 1.7398910636795888
Energy: 1.515185514946031
Energy: 1.8602791624856003
Energy: 1.5438075360117223
Energy: 1.8855057536050999
Energy: 1.5112376391496696
Energy: 1.7553772744066218
Energy: 1.5112375598463115
Energy: 1.8616594258703332
Energy: 1.6706111243862618
Energy: 1.7833681269147739
Energy: 1.6810153073215328
Energy: 1.9111396921715973
Energy: 1.569377976282255
Energy: 1.8969606709977875
Energy: 1.5693780239052177
Energy: 1.8045333962517625
Energy: 1.7266833878892678
Energy: 1.98632405630372
Energy: 1.7266835582776243
Energy: 2.090348001800867
Energy: 1.6310606506505154
Energy: 2.200520749113484
Energy: 1.6310606501871816
Energy: 2.0274355154800254
Energy: 1.754809375084597
Energy: 1.8097287326321319
Energy: 1.675710560934382
Energy: 1.9469461227557607
Energy: 1.5666516930340013
Energy: 1.8847589227727655
Energy: 1.566651663291885
Energy: 1.834815128928891
Energy: 1.5927644414755193
Energy: 1.991377434072265
Energy: 1.5927641154085135
Energy: 1.8553503205347917
Energy: 1.517364335735027
Energy: 1.7992632822450707
Energy: 1.517364335618147
Energy: 1.874470621579175
Energy: 1.5859885390174802
Energy: 1.7485771098667884
Energy: 1.5509891364748898
Energy: 1.7036582417527792
Energy: 1.489251787015031
Energy: 1.7336654720521787
Energy: 1.4892517870377953
Energy: 1.8405472317095102
Energy: 1.5005919297835801
Energy: 1.8416284619586427
Energy: 1.5015309395827825
Energy: 1.7084151383548338
Energy: 1.5166200608306706
Energy: 1.690503825354844
Energy: 1.5166200608306706
Energy: 1.7591905064773872
Energy: 1.5348142944138672
Energy: 1.7424562152078111
Energy: 1.5348143824300733

minimum gb energy = 1.4864483466924197 eV
minimum distance =  2.42252303872076 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 2.0292036958303035
Energy: 1.5621447382622717
Energy: 2.1229958437485608
Energy: 1.5621447383525593
Energy: 2.045198784846079
Energy: 2.2887493621160946
Energy: 1.7891346754090514
Energy: 2.288952701583937
Energy: 1.8023641992821637
Energy: 1.4745635229265153
Energy: 1.8842100961944397
Energy: 1.4745633570599577
Energy: 1.8670573962230141
Energy: 2.170790372287275
Energy: 1.7775921674714439
Energy: 2.1489903972078115
Energy: 1.836248917640546
Energy: 1.4472832096312773
Energy: 1.6726555599739608
Energy: 1.4472832441918175
Energy: 1.7694649098611428
Energy: 2.227133592960992
Energy: 1.8049966778417448
Energy: 2.227133592994302
Energy: 1.602301800371542
Energy: 1.4102929638142971
Energy: 1.7326694238503206
Energy: 1.4103289288629286
Energy: 1.7607914466385306
Energy: 1.6078966539509723
Energy: 1.8587531284804961
Energy: 1.6006877729263667
Energy: 1.7241404567389738
Energy: 1.3930286058548813
Energy: 1.5691352495637274
Energy: 1.3930286058714565
Energy: 1.8116370019380665
Energy: 2.1119565867344616
Energy: 1.9115452348623425
Energy: 2.1119012219116224
Energy: 1.5709144073737327
Energy: 1.390879268190968
Energy: 1.6131285910114668
Energy: 1.390879255815644
Energy: 1.8466299089365985
Energy: 2.1711573383432747
Energy: 1.8164980090511549
Energy: 2.171157337856056
Energy: 1.6062874709842874
Energy: 1.3926342495630106
Energy: 1.5650010418310636
Energy: 1.3926342496497122
Energy: 1.7538896944549318
Energy: 2.1340183108170754
Energy: 1.7172810742873643
Energy: 2.1339334989344003
Energy: 1.5912298608056068
Energy: 1.3970789412192803
Energy: 1.5630205151485963
Energy: 1.3970789337944045
Energy: 1.7593733659083617
Energy: 1.4436556632312134
Energy: 1.9281496995015999
Energy: 1.458603429937987
Energy: 1.5802741441800994
Energy: 1.405000184513477
Energy: 1.6120468105873913
Energy: 1.405000184513477
Energy: 1.7547203670257117
Energy: 1.430148401707675
Energy: 1.7576766257102414
Energy: 1.4597553675255102
Energy: 1.6810237452307728
Energy: 1.39632708858916
Energy: 1.5711254083547015
Energy: 1.3963270885698755
Energy: 1.808545802696057
Energy: 1.510695389718885
Energy: 1.7097862653141478
Energy: 1.4635135185841222
Energy: 1.60893977010587
Energy: 1.4055005620424486
Energy: 1.7061346475158028
Energy: 1.4056192626316106
Energy: 1.7975056983379925
Energy: 1.5726443502513996
Energy: 1.8242486613426185
Energy: 1.5712245432771197
Energy: 1.8520062029967104
Energy: 1.4427855809573413
Energy: 1.6666730687412834
Energy: 1.4427855806489442
Energy: 1.8980561685629014
Energy: 1.6208031317657141
Energy: 1.6691487512361511
Energy: 1.6188150131476597
Energy: 1.7994067585638476
Energy: 1.4729549379354578
Energy: 1.8614990115669288
Energy: 1.4722865558864076
Energy: 1.6898744752293988
Energy: 1.6399396164635522
Energy: 1.961599850017413
Energy: 1.765332301683681
Energy: 1.9945841659962247
Energy: 1.5589571031975018
Energy: 1.6854214155182103
Energy: 1.5589570865717188
Energy: 1.7963154138744264
Energy: 1.7199151745472798
Energy: 1.7541959974958512
Energy: 1.7226752879639942
Energy: 1.8181616706517667
Energy: 1.4775256430618642
Energy: 1.8522079293971019
Energy: 1.477648667858446
Energy: 1.6661043398024102
Energy: 1.5247409602032789
Energy: 1.905223026078986
Energy: 1.545614078136212
Energy: 1.8138606999958962
Energy: 1.4457726862929652
Energy: 1.6997526373605105
Energy: 1.4457726988145982
Energy: 1.894427869437845
Energy: 1.5838141588440708
Energy: 1.7386022195712316
Energy: 1.5840605466426207
Energy: 1.6680038487674673
Energy: 1.4174984684365914
Energy: 1.7202887232654651
Energy: 1.4174984662207553
Energy: 1.6893398056656372
Energy: 1.4847353674042216
Energy: 1.8628289387386439
Energy: 1.4856299112765303
Energy: 1.6891580334464011
Energy: 1.4147218511150916
Energy: 1.5929691040104539
Energy: 1.4147218511317465
Energy: 1.7599454600181603
Energy: 1.4556139003613666
Energy: 1.7110957284140222
Energy: 1.486221722459399
Energy: 1.5727717134887567
Energy: 1.4093202538451748
Energy: 1.6083239049938538
Energy: 1.409320289537699

minimum gb energy = 1.390879255815644 eV
minimum distance =  2.44056403036072 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 2.024334265320907
Energy: 1.4888665684882527
Energy: 1.9326808543102931
Energy: 1.48886660582399
Energy: 1.6646804991536444
Energy: 2.3257644044659607
Energy: 1.6309811688813098
Energy: 2.3257646681316317
Energy: 1.673724851109499
Energy: 1.4476595853533405
Energy: 1.9438960858217762
Energy: 1.4476595852005973
Energy: 1.603392046179778
Energy: 2.1587528456806164
Energy: 1.6086554074400374
Energy: 2.158815172460686
Energy: 1.8172011005266633
Energy: 1.3804469227253242
Energy: 1.5712131760604222
Energy: 1.3806795350106005
Energy: 1.6046124033292235
Energy: 2.1144773957514165
Energy: 1.7498456654737777
Energy: 2.1144269786198886
Energy: 1.5188244528208925
Energy: 1.3590579247265648
Energy: 1.7584816813445177
Energy: 1.359057924763023
Energy: 1.8758284325710253
Energy: 2.0543322127847214
Energy: 1.7134566272927212
Energy: 2.0208419519868572
Energy: 1.6668285272246226
Energy: 1.3260022638201636
Energy: 1.5204475612964572
Energy: 1.3260022638216844
Energy: 1.7472168527489105
Energy: 1.4425711085861999
Energy: 1.6918485177939633
Energy: 1.4769660406583356
Energy: 1.5049813162194396
Energy: 1.307022868369595
Energy: 1.6309176882072351
Energy: 1.3070231483819577
Energy: 1.7083441623419977
Energy: 1.4817746435559709
Energy: 1.712988296547524
Energy: 1.5013877772087558
Energy: 1.5558581588087994
Energy: 1.3110006932752283
Energy: 1.5043765922676389
Energy: 1.3110008841707652
Energy: 1.7310987074688755
Energy: 2.155393291623651
Energy: 1.8633883350404803
Energy: 2.155394050478986
Energy: 1.5164695261421481
Energy: 1.3083784363009547
Energy: 1.5544304033809864
Energy: 1.3083781664138014
Energy: 1.675232554636817
Energy: 2.1306073224788666
Energy: 1.6940734681440117
Energy: 2.1306073165385424
Energy: 1.484034903212522
Energy: 1.311968558339362
Energy: 1.5346407169843987
Energy: 1.3119685583264376
Energy: 1.7338647717006377
Energy: 2.1789218296936887
Energy: 1.7401731489814745
Energy: 2.178921829683045
Energy: 1.5400647878135367
Energy: 1.311705717089917
Energy: 1.5054672482578608
Energy: 1.311705716863463
Energy: 1.6621757247180113
Energy: 1.3025411997932934
Energy: 1.6879467371365013
Energy: 1.2982752883188309
Energy: 1.4694225262159315
Energy: 1.3130376357445848
Energy: 1.6168778518293423
Energy: 1.3130376342703376
Energy: 1.6228502189375291
Energy: 1.3143611252580039
Energy: 1.7335221102031977
Energy: 1.329701905465767
Energy: 1.6503139667605855
Energy: 1.3101828161953484
Energy: 1.5176874998480212
Energy: 1.3101828161953484
Energy: 1.7070182793196158
Energy: 1.448750225799256
Energy: 1.7033637074980081
Energy: 1.4349396714901328
Energy: 1.515568046341771
Energy: 1.3565739020551657
Energy: 1.7397048742656633
Energy: 1.356573740342962
Energy: 1.6349765114963744
Energy: 1.452562769566765
Energy: 1.7902247118525025
Energy: 1.4727275383210394
Energy: 1.799479634510893
Energy: 1.385980356218599
Energy: 1.5603765666024259
Energy: 1.385980356204154
Energy: 1.8349983492921238
Energy: 1.47905221590036
Energy: 1.561019764231742
Energy: 1.4737298965246386
Energy: 1.6828874202483375
Energy: 1.4528127539139735
Energy: 1.88358993951286
Energy: 1.452812753722492
Energy: 1.5640513628256862
Energy: 1.5086293451925468
Energy: 1.8064602309314244
Energy: 1.5393334500823939
Energy: 2.03907137718186
Energy: 1.4863800991832499
Energy: 1.5844857527173435
Energy: 1.4860760022596082
Energy: 1.9339085174458417
Energy: 1.4621464588776896
Energy: 1.5724333014674374
Energy: 1.4778458751581505
Energy: 1.6959958906305226
Energy: 1.4468611773430982
Energy: 1.8928782980387866
Energy: 1.4468616337250588
Energy: 1.560009854070898
Energy: 1.4301483934000663
Energy: 2.003006302264184
Energy: 1.425245502386609
Energy: 1.7876555385319572
Energy: 1.3792436074917738
Energy: 1.5728979680540096
Energy: 1.3792436920787299
Energy: 1.8180520293453801
Energy: 1.3704299661215746
Energy: 1.5684093116856663
Energy: 1.41127090495456
Energy: 1.5155270448083646
Energy: 1.353072642098762
Energy: 1.7382928712756966
Energy: 1.3530725697055097
Energy: 1.6593098873330527
Energy: 1.3551902880305673
Energy: 1.7808529487213536
Energy: 1.3730900688362884
Energy: 1.6431283206729188
Energy: 1.3144054505901837
Energy: 1.5053097031354334
Energy: 1.314405454224882
Energy: 1.7267773387837726
Energy: 1.3444292656870915
Energy: 1.6535275606590925
Energy: 1.313391382400723
Energy: 1.4722018868526028
Energy: 1.3240575547755378
Energy: 1.6264211331606675
Energy: 1.3240575556995988
Energy: 1.644101737280435
Energy: 1.3150404612483009
Energy: 1.697917726211284
Energy: 1.3318038806206491
Energy: 1.5416234705550613
Energy: 1.2974511649505243
Energy: 1.4945223041921512
Energy: 1.2974511648988611

minimum gb energy = 1.2974511648988611 eV
minimum distance =  2.43855358310691 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01983484644135965
Energy: 0.020793598428896304
Energy: 2.1436769886028375
Energy: 0.020793598429480753
Energy: 0.020355039014054086
Energy: 1.414598837333021
Energy: 0.02035503902090512
Energy: 1.414598837333021
Energy: 2.800644795218072
Energy: 0.020793598428896304
Energy: 0.01983484644135965
Energy: 0.020793598428896304
Energy: 0.020355039015190517
Energy: 1.414598837333021
Energy: 0.020355039006066628
Energy: 1.414598837333021
Energy: 0.01983484644135965
Energy: 0.020793598429480753
Energy: 2.1436769896281542
Energy: 0.020793598428896304
Energy: 0.020355039015190517
Energy: 1.414598837333021
Energy: 0.02035503903347076
Energy: 1.414598837333021

minimum gb energy = 0.01983484644135965 eV
minimum distance =  2.69171311329257 Angstroms
sigma value = 1