Model name: model_name=EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608116634190083
cohesive_energy=4.229961104259564
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.8353705353009e-21, 2.3689303057333798e-20, 4.1711066489556e-20, 6.480932658660719e-20, 9.74046488993568e-20, 1.3667880472859879e-19, 1.7437770049129197e-19, 2.05963010653968e-19, 4.904679242598839e-19, 5.27521463274402e-19, 5.601978557248319e-19, 5.8758225875316e-19, 6.0942793715775e-19, 6.26374159415568e-19, 6.394879751648579e-19, 6.49692238146804e-19, 6.57642238604712e-19, 6.6379299470263795e-19, 6.68495383123428e-19, 6.7201696736496e-19, 6.74569234742922e-19, 6.763108007440799e-19, 6.773281829066699e-19, 6.776614356465419e-19, 6.77302548080526e-19, 6.76139367844242e-19, 6.740244946873619e-19, 6.70778484826878e-19, 6.6620907706671e-19, 6.601656668032619e-19, 6.52488036373134e-19, 6.430255811727299e-19, 6.323855261463359e-19, 6.22182865341024e-19, 6.13479841865136e-19, 6.079250954750579e-19, 6.01774339377132e-19, 5.832083165423399e-19, 5.358591904777379e-19, 4.3828342911387e-19, 2.6200394495801997e-19, -3.0512652906213e-20, -4.88357857632906e-19, -1.176612885183456e-18, -2.1641400883755e-18, -3.3543810880077597e-18, -4.537668641048459e-18, -5.61743956176642e-18, -6.890176636283339e-18, -8.75619971837046e-18, -1.1612464090867619e-17, -1.6314163575705e-17, -2.5074865410416998e-17, -4.210039541161799e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018526692326947
Energy: 0.2062930425817512
Energy: 0.43242636976425997
Energy: 0.29559325895001026
Energy: 0.023382855907700027
Energy: 0.020195091823449415
Energy: 0.21079521567926104
Energy: 0.24721505058826734
Energy: 0.32097365701738195
Energy: 0.022376694794441425
Energy: 0.24858138165756977
Energy: 0.2285544636522115
Energy: 0.20081920176798135
Energy: 0.22141209412117122
Energy: 0.21784874975443067
Energy: 0.26421839395275437
Energy: 0.2758282536911934
Energy: 0.1888954267304688
Energy: 1.2934584194469712
Energy: 0.1869920967170611
Energy: 0.2508860260988449
Energy: 0.02269595977662123
Energy: 0.019043954891036153
Energy: 0.20641765417725633
Energy: 0.2868158006695631
Energy: 0.25145901644327595
Energy: 0.022282124326781644
Energy: 0.019080135078086022
Energy: 0.21134340282372105
Energy: 0.2507506869255833
Energy: 0.21528717492325722
Energy: 0.020427506153739526
Energy: 0.14268398891893752
Energy: 0.18089640716848857
Energy: 0.22809437580511907
Energy: 0.19669544354010032
Energy: 0.020134936543586234
Energy: 0.13345097716412335
Energy: 0.19849522126508698
Energy: 0.22612535039295378
Energy: 0.2719164598637338
Energy: 0.3060430574880568
Energy: 0.1789115630791976
Energy: 0.020551442482412665
Energy: 0.01930014251740285
Energy: 0.2603735482901295
Energy: 0.2690105619883699
Energy: 0.18309567421229334
Energy: 0.02182059427280278
Energy: 0.22327417504046343
Energy: 0.17410547857374548
Energy: 1.2962833655963033
Energy: 0.2038658629770935
Energy: 0.019811554438964252
Energy: 0.14131023995951125
Energy: 0.19387253494676102
Energy: 1.2972506630134542
Energy: 0.20574325868003865
Energy: 0.020614288565305165
Energy: 0.1590317491072461
Energy: 0.19507143318118747
Energy: 0.19600140859076803
Energy: 0.2115766323730759
Energy: 0.24610010735619356
Energy: 0.19191193830246076
Energy: 0.01929428514947694
Energy: 0.1983843716441586
Energy: 0.2701903456799025
Energy: 0.17703184979835934
Energy: 0.21171381886955484

minimum gb energy = 0.018526692326947 eV
minimum distance =  2.26597094126088 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.7942887842017194
Energy: 0.8915926411839473
Energy: 0.9796761872080887
Energy: 0.832547545214336
Energy: 0.9138472044325717
Energy: 1.630363646170984
Energy: 0.8661336287790713
Energy: 0.9838204044304756
Energy: 1.005837151145891
Energy: 1.0173573533336258
Energy: 0.9943396509921387
Energy: 1.1659615167065993
Energy: 1.2969836753670765
Energy: 1.0596783251063449
Energy: 0.8993925802094362
Energy: 1.0710904541563553
Energy: 1.1009193832013764
Energy: 1.2835701172578184
Energy: 1.0202022170041665
Energy: 1.0443838555794904
Energy: 0.9834570597858624
Energy: 1.0651335552944923
Energy: 1.0497108516684177
Energy: 1.0721979071823848
Energy: 0.8004843141703233
Energy: 0.6145893456128961
Energy: 1.065791424354183
Energy: 1.0698030108090575
Energy: 0.9190972288569618
Energy: 0.9752907209322413
Energy: 1.0445527831274992
Energy: 1.3272196532127478
Energy: 1.084113759619691
Energy: 0.8818043573613568
Energy: 0.8014788066128056
Energy: 0.9610556758016855
Energy: 1.2293606649924824
Energy: 1.0454267700410795
Energy: 0.9770956694109421
Energy: 1.1157059667479208
Energy: 1.0742681835180588
Energy: 1.3799688395062868
Energy: 1.0882031463340962
Energy: 1.299035455529014
Energy: 0.9755277113577462
Energy: 1.074003764919896
Energy: 1.4005710312020567
Energy: 1.047831822360375
Energy: 1.3201510304634338
Energy: 0.9998117792696182
Energy: 0.9805463816899938
Energy: 1.0369899612782754
Energy: 1.0858084028784436
Energy: 1.2237153341077667
Energy: 1.1330438869735855
Energy: 0.991106098096612
Energy: 1.0388135276358723
Energy: 1.0844699817079408
Energy: 1.2261920572199196
Energy: 1.0806009368509448
Energy: 1.0772641855490592
Energy: 1.2140740401438808
Energy: 1.2496122919132826
Energy: 1.0429787658735432
Energy: 0.9734270540834946
Energy: 1.2195145330179231
Energy: 1.2358367103334422
Energy: 1.193094149504841
Energy: 1.0778515815385101
Energy: 0.9936179834488648
Energy: 1.108010378722506
Energy: 0.9789004698447006
Energy: 1.0615278118366254
Energy: 1.041297416681997
Energy: 0.9927226637671528
Energy: 1.1126382191446582
Energy: 1.0169808651383982
Energy: 0.9805204078279512
Energy: 1.0274927023258489
Energy: 1.0425789063262785
Energy: 1.2013804212918435
Energy: 0.9935943617367141
Energy: 0.9578574948981987
Energy: 1.46151953780126
Energy: 0.9651711415528897
Energy: 1.1537980522103841
Energy: 0.9806343349084707
Energy: 0.8912789680955083
Energy: 1.307955662263247
Energy: 1.0026206985749027
Energy: 1.057194817381695
Energy: 0.9080024407767961
Energy: 0.9023040115512388
Energy: 0.9687361166280485
Energy: 1.2643367639494063
Energy: 1.1297300028490675
Energy: 0.9551433393006432
Energy: 0.9075299228812669
Energy: 1.0958411041733735
Energy: 1.1524568420020307
Energy: 1.2305614746867284
Energy: 0.882617755494755
Energy: 0.9790780821479812
Energy: 1.0318805713501489
Energy: 1.1644831365810553
Energy: 1.0057215947262539
Energy: 0.8939468790330967
Energy: 0.9943983768619873
Energy: 1.1236940496185013
Energy: 1.169017836986189
Energy: 1.1098792177460388
Energy: 1.3106367227773867
Energy: 1.001924532670032
Energy: 1.09633729762946
Energy: 1.1119434346535424
Energy: 1.1456480338697919
Energy: 0.7893962611084699
Energy: 1.0639055460604783
Energy: 1.189573190470916
Energy: 1.0736502895247644
Energy: 1.0779470449876278
Energy: 1.2945343561874787
Energy: 1.054155464751534
Energy: 1.0067005884974933
Energy: 0.9922193845844113
Energy: 0.9302828843398758
Energy: 1.1657742460176874
Energy: 1.1422887676522984
Energy: 1.019840849630728
Energy: 0.9912821000247662
Energy: 1.1196300643545358
Energy: 1.2690359738951615
Energy: 1.0337146483382693
Energy: 1.1613952332151838
Energy: 1.1367325223557565
Energy: 1.0874131728583702
Energy: 1.1419318856504412
Energy: 1.0978428745981672
Energy: 1.2417257263174006
Energy: 1.3632797781774662
Energy: 1.0019804509386385
Energy: 1.0219430061471375
Energy: 0.9964396685870761
Energy: 0.9240069816686103
Energy: 1.0011003335894217
Energy: 0.9246897221357172
Energy: 0.9990784534111566
Energy: 1.0131185630090267
Energy: 1.001263985692533
Energy: 1.0902407621778565
Energy: 0.9914242991330396
Energy: 1.2633526226335507
Energy: 1.3309540049159811
Energy: 1.0903492837241449
Energy: 0.8638411214850239
Energy: 0.8917061909344552
Energy: 1.0780094503014925
Energy: 1.3260552476369578
Energy: 1.023225904157456
Energy: 0.9807790233618285
Energy: 0.981531763296667
Energy: 1.065564078845891
Energy: 1.0051707510546506
Energy: 1.1033212878475152
Energy: 0.8419647927255683
Energy: 0.8814398515850511
Energy: 1.0311431406940823
Energy: 1.0196564454985864
Energy: 0.9456331258373591
Energy: 0.9595053502802244
Energy: 1.0732947359160168
Energy: 1.2045548307487888
Energy: 1.064780921404427
Energy: 0.9633657005516331
Energy: 0.8501592624391577
Energy: 1.0093480560758468
Energy: 1.2103410056052493
Energy: 1.0363976877516403
Energy: 0.9830862484959166
Energy: 0.8684752265228075
Energy: 1.0339029982511216
Energy: 1.3448099861989782
Energy: 1.1561884071334414
Energy: 1.036122757068282
Energy: 1.0105895966148202
Energy: 1.1490921277084072
Energy: 1.3493859904864487
Energy: 1.044054599671628
Energy: 1.2356647928403222
Energy: 0.9601982947668314
Energy: 0.978295376377334
Energy: 1.002090372663181
Energy: 1.0638989071287412
Energy: 1.2155678203447662
Energy: 1.0816412200899699
Energy: 0.9795573841752091
Energy: 1.0149642474455216
Energy: 1.0630366833617608
Energy: 0.9415520043282041
Energy: 1.100117975582724
Energy: 1.200145884476712
Energy: 1.2486561787174548
Energy: 1.160995858360318
Energy: 0.9650305884484248
Energy: 1.0281009843979854
Energy: 1.1928280399028264
Energy: 1.2608483583477683
Energy: 1.2109867795284206
Energy: 0.955509596320525
Energy: 1.0161302348674741
Energy: 1.0408650456036035
Energy: 0.9960328978214399
Energy: 1.1058296153387095
Energy: 1.0005585895616966
Energy: 1.0082230281998834
Energy: 1.029555321227272
Energy: 0.9755066099510336
Energy: 1.1331277894673657
Energy: 1.0480027145219697
Energy: 0.9492125411971795
Energy: 1.146284735549013
Energy: 0.9865300703107207
Energy: 0.8921954472352505
Energy: 1.101037208790405
Energy: 1.0564932352436096
Energy: 1.1571776211964784
Energy: 0.9891976807581542
Energy: 0.9183735941699026
Energy: 1.2539489844889693
Energy: 0.9841122665418547
Energy: 1.1182811006288456
Energy: 0.9558525342728255
Energy: 0.8975978502221259
Energy: 1.045980972272631
Energy: 1.1628633038711762
Energy: 1.052436740971644
Energy: 0.9336876035801991
Energy: 0.8769914042043859
Energy: 0.9438725327367161
Energy: 1.147866355664191
Energy: 1.0513146767613684
Energy: 0.8787703223341292
Energy: 0.9599770946800812
Energy: 1.0591555806448243
Energy: 1.1544216268153054
Energy: 1.1316284193947483
Energy: 0.8984637266244333
Energy: 0.9164268624742966
Energy: 1.0904566461205463
Energy: 1.141292935566809
Energy: 1.1283620234726057
Energy: 1.033798013277397
Energy: 0.9903694753027412
Energy: 1.1704536075594854
Energy: 1.0419993793796478
Energy: 1.142715311552319
Energy: 0.7732773251347954
Energy: 1.0768649763854559
Energy: 1.258873427042345
Energy: 1.0266055782290615
Energy: 1.0992025167027344
Energy: 0.9443525673971505
Energy: 1.0532577921786357
Energy: 1.0182295343826506
Energy: 0.9810198120986379
Energy: 0.9392190647113495
Energy: 1.1360230450072257
Energy: 1.1342856241443355
Energy: 1.017751987063717
Energy: 0.9759482957964833
Energy: 0.9702812462496686
Energy: 1.279417625085039
Energy: 1.0157457446594405
Energy: 1.0780343646559316
Energy: 0.9447535985620921
Energy: 0.9312280516770732
Energy: 1.115722564414759
Energy: 1.106581388434589
Energy: 1.1123005209823356
Energy: 0.9849946363141526
Energy: 0.9021709640748077
Energy: 0.9465155038022226
Energy: 0.977043279778501
Energy: 0.8405735533523416
Energy: 0.9323655801549746
Energy: 0.8039582547320189
Energy: 0.9055927033503456
Energy: 1.0046920812345927
Energy: 0.9971566402422694
Energy: 1.067489840902517

minimum gb energy = 0.6145893456128961 eV
minimum distance =  2.23392578903425 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.4874093080188886
Energy: 1.06988098871547
Energy: 1.1097544063785827
Energy: 1.1199357365643212
Energy: 1.036018466011524
Energy: 1.0602686870424067
Energy: 1.018229057337262
Energy: 1.1589309914852228
Energy: 1.090453071000428
Energy: 1.0710476280781773
Energy: 1.1564710819370165
Energy: 1.0924406375596516
Energy: 1.0812045014981113
Energy: 1.0985426577083899
Energy: 1.0068740908975855
Energy: 1.0770437130511181
Energy: 1.086160588442279
Energy: 1.0656181586949256
Energy: 1.106811256958073
Energy: 1.0787392354198928
Energy: 1.1408550586549429
Energy: 1.140277181535893
Energy: 1.1279535898272874
Energy: 1.109514257457777
Energy: 1.234909506613609
Energy: 0.9433540381002785
Energy: 1.1375969714000476
Energy: 1.1111210195613725
Energy: 1.1329211009129774
Energy: 1.2152020179639085
Energy: 1.1163992210479659
Energy: 1.0653544945669484
Energy: 1.0949861373215986
Energy: 1.0290403234916026
Energy: 1.2256528921958263
Energy: 1.0470954788645472
Energy: 1.1710269397171469
Energy: 1.0983674965192567
Energy: 1.1585377029816408
Energy: 1.2278403322866518
Energy: 1.1073633390384834
Energy: 1.310529812262019
Energy: 1.1073499481329678
Energy: 1.152473174477881
Energy: 1.1445955450558065
Energy: 1.0839621457531097
Energy: 1.1317517172911113
Energy: 1.139015178420172
Energy: 1.155491419225513
Energy: 1.0718021834397684
Energy: 1.1087994280630946
Energy: 1.104570544289867
Energy: 1.0506134667153906
Energy: 1.0965759805605144
Energy: 1.111836170387118
Energy: 1.131311551131354
Energy: 1.1791300278739456
Energy: 1.0994284776953358
Energy: 1.1343796404140971
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Energy: 1.048335388578226
Energy: 1.1266103394037865
Energy: 1.1171073358489438
Energy: 1.0939235405413508
Energy: 1.1298803768149344
Energy: 1.0902278811335528
Energy: 1.1248179746706086
Energy: 1.1284352898139058
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Energy: 1.0464437226147314
Energy: 1.229199219539025
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Energy: 1.1418040538414298
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Energy: 1.1889492063312745
Energy: 1.1164007087643468
Energy: 1.1143189752332605
Energy: 1.090179789894223
Energy: 1.2226996447992873
Energy: 1.0639974047086043
Energy: 1.0583952148187319
Energy: 1.1229090977412095
Energy: 1.140946651429918
Energy: 1.2201681845570713
Energy: 1.1680113260959577
Energy: 1.131607343103422
Energy: 1.2121426620735842
Energy: 1.111382476335436
Energy: 1.0674629177642943
Energy: 1.1423191643745536
Energy: 1.09273548687659
Energy: 1.1060640636344963
Energy: 1.156247208759342
Energy: 1.1074684255562963
Energy: 1.1719824072391654
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Energy: 1.0994951226813294
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Energy: 1.0289792473028985
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Energy: 1.129844652609069
Energy: 0.9982963487766576
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Energy: 1.129225602726547
Energy: 1.165952865765818
Energy: 1.1190206281291273
Energy: 1.0933263344164121
Energy: 1.173014848072349
Energy: 1.121718487696201
Energy: 1.1528587973428999
Energy: 1.1229633848579805
Energy: 1.0954098043953326
Energy: 1.2061988741471406
Energy: 1.1105372539065026
Energy: 1.1499910289411224
Energy: 1.2155990184191254
Energy: 1.2678191682835247
Energy: 1.1304027808035673
Energy: 1.1263820521192418
Energy: 1.2114215800643195
Energy: 1.0885082404264101
Energy: 1.2356024023411525
Energy: 1.0441147897400478
Energy: 1.1347714837998368
Energy: 1.046888305102953
Energy: 1.1453615736536322
Energy: 1.0948173369063177
Energy: 1.270731635075696
Energy: 1.1014715311537275
Energy: 1.153384958469461
Energy: 1.139511857558678
Energy: 1.0955635360458325
Energy: 1.130729741712276
Energy: 1.0557883810432724
Energy: 1.0959501238067306
Energy: 1.1563934822973203
Energy: 1.1156414883966654
Energy: 1.1584016379498012
Energy: 1.218970343202232
Energy: 1.1025648813449076
Energy: 1.5245283837367647
Energy: 1.0212982530861174
Energy: 1.142778706957893
Energy: 1.0706802062756933
Energy: 1.0353034184329668
Energy: 1.1589627789604233
Energy: 1.130853628250935
Energy: 1.0888326616194857
Energy: 1.111982975039025
Energy: 1.095987854980702
Energy: 1.1601423358656429
Energy: 1.0608057375737996
Energy: 1.0457332376099198
Energy: 1.1303442060393003
Energy: 1.0125945617413128
Energy: 1.1676485641257266
Energy: 1.116260137172756
Energy: 1.1370194767543997
Energy: 1.2424671554403073
Energy: 1.649921438512993
Energy: 1.172158849447672
Energy: 1.0499591484225708
Energy: 1.0362778730509035
Energy: 1.146164352088599
Energy: 1.6562910768478423
Energy: 1.146068749648586
Energy: 1.0780727469206348
Energy: 1.0758999503041888
Energy: 1.122328652540274
Energy: 1.6552920726880391
Energy: 1.1639607604638698
Energy: 1.0808187832948177
Energy: 1.0727777164727057
Energy: 1.0949099094336536
Energy: 1.5422662174735537
Energy: 1.096237220098189
Energy: 1.1330845272096837
Energy: 1.078787750143257
Energy: 1.129125062726389
Energy: 1.0611190709256686
Energy: 1.1582636693630017
Energy: 1.1351721045700711
Energy: 1.1241016194624027
Energy: 1.1998878574134455
Energy: 1.0654997443864413
Energy: 1.1179830228318237
Energy: 1.1581916053284405
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minimum gb energy = 0.9433540381002785 eV
minimum distance =  2.21927769431012 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.062202022962999
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Energy: 1.0774524442630584
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Energy: 1.007975810589634
Energy: 1.0201315409973064
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Energy: 1.07727014682027
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Energy: 1.063021975228446
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Energy: 0.9471158886826235
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Energy: 0.9506886990049083
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Energy: 1.0241250882999617
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Energy: 1.1898076638493436
Energy: 1.0074940280324973
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Energy: 1.080063832346887
Energy: 1.001468587641821
Energy: 1.1068372407920422
Energy: 1.1046762417367373
Energy: 1.0237311659054484
Energy: 0.9941637575691225
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Energy: 0.9894108738876124
Energy: 1.1468571806450896
Energy: 1.0105953175822717
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Energy: 1.0800253653071679
Energy: 1.0671092632770043
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Energy: 1.2401656084966224
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Energy: 1.119484411004933
Energy: 0.9670513436094551
Energy: 0.9349996104621412
Energy: 0.9404086541992097
Energy: 1.010446794900233
Energy: 1.127949678882463
Energy: 0.9385892181211097
Energy: 0.9432346626318688
Energy: 0.9329783562566333
Energy: 1.0092463021238642
Energy: 1.124633038276141
Energy: 1.1362847233540567
Energy: 1.0718769009429923
Energy: 0.9369517367103151
Energy: 1.1542882292069359
Energy: 1.1496313419020816
Energy: 1.1401901199944258
Energy: 1.0647655540402836
Energy: 0.9192262191946564
Energy: 1.0844242647650415
Energy: 1.14999233200207
Energy: 0.944612553171701
Energy: 0.9301586767518303
Energy: 1.0513333031798657
Energy: 1.1589348914338438
Energy: 0.9744612877799176
Energy: 0.9200814044559005
Energy: 0.920851277271537
Energy: 1.0744983063664237
Energy: 1.2049517001261005
Energy: 1.0381115401821162
Energy: 0.9287341641980467
Energy: 1.0675195659766454
Energy: 0.965767747823609
Energy: 1.193872835149381
Energy: 1.0512833671338446
Energy: 1.0419841892976285
Energy: 0.9391355256076596
Energy: 0.9959248622145079
Energy: 1.1627623416454282
Energy: 1.1029588037097773
Energy: 0.9196126516962307
Energy: 1.0911927354025588
Energy: 1.1267088101614562
Energy: 1.0524836582304782
Energy: 1.0863524064088321
Energy: 1.113032329769093
Energy: 1.133208845363598
Energy: 1.0131209874054206
Energy: 1.0890444909699477
Energy: 1.0195195509432833
Energy: 1.1340403074368437
Energy: 0.9777931418947093
Energy: 1.0199520576581402
Energy: 0.9686374906671477
Energy: 0.9862717597778599
Energy: 1.0791288160604031
Energy: 0.9793312619273067
Energy: 1.013080308876773
Energy: 0.9525546739111719
Energy: 1.1014144688058056
Energy: 1.1213092063747157
Energy: 1.0599163573227561
Energy: 1.0144299376608874
Energy: 1.0162502499089485
Energy: 1.1138175845355378
Energy: 1.066698589788028
Energy: 0.9664688637644828
Energy: 0.9841429781352405
Energy: 0.9986719192048936
Energy: 1.1776488509707168
Energy: 0.9264491791810592
Energy: 0.9231827540097345
Energy: 0.892158159996303
Energy: 0.9505344526368124
Energy: 1.2296725845463734
Energy: 0.9051234419944226
Energy: 0.9321888208979228
Energy: 0.9099894478356175
Energy: 1.0791136100475898

minimum gb energy = 0.892158159996303 eV
minimum distance =  2.23649684026124 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.18687861268024
Energy: 1.0163376937104078
Energy: 1.019633128419355
Energy: 1.0600704319044925
Energy: 0.9412199536077421
Energy: 1.4223890860669317
Energy: 0.9752698803049142
Energy: 1.0096274292101173
Energy: 1.0384090918055568
Energy: 1.0257212762794163
Energy: 1.0841731139361217
Energy: 1.0564045438718919
Energy: 1.0709895485176322
Energy: 1.0371310526099913
Energy: 1.1869839160322524
Energy: 1.0852030883250818
Energy: 1.0309840531719563
Energy: 1.0342076895319992
Energy: 1.0622329428197268
Energy: 1.2598309219293693
Energy: 1.0573621147553538
Energy: 1.0963566720347422
Energy: 0.988851719691378
Energy: 1.0341634560518032
Energy: 1.2031248843423443
Energy: 1.0202005932506826
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Energy: 1.0693805212126373
Energy: 1.0480564631190752
Energy: 1.1888256480350095
Energy: 1.0691548845163596
Energy: 1.1547832635702076
Energy: 1.0760294453422679
Energy: 1.0287467054410742
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Energy: 1.0514799290253047
Energy: 1.0562894552391904
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Energy: 1.1032147844525586
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Energy: 1.090814104802609
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Energy: 1.0767302418464195
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Energy: 1.0439682817704425
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Energy: 1.105313523551492
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Energy: 1.1120904708336738
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Energy: 1.079471823773205
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Energy: 1.057367534580822
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Energy: 1.1150713067070972
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Energy: 1.0434694144843915
Energy: 0.9634940380856631
Energy: 1.0767922024499113
Energy: 1.0704866708063743
Energy: 1.0031641392071609
Energy: 1.0545719867379952
Energy: 1.092747550229697
Energy: 1.123358944696969
Energy: 1.1055700910525317
Energy: 1.0245386407232293
Energy: 1.0703078015498373
Energy: 0.9557745227663104
Energy: 1.1062752481143785
Energy: 1.0638165781373397
Energy: 1.193903754117713
Energy: 1.0666846379669241
Energy: 1.1900875557024908
Energy: 1.1233712718245126
Energy: 1.0805411061792083
Energy: 1.185688612252108
Energy: 1.0825890551982018
Energy: 1.1452190222931857
Energy: 1.0706545159498813
Energy: 1.0388398660352722
Energy: 1.1154816071883602
Energy: 1.0579618030134619
Energy: 1.1645101600259558
Energy: 1.0677062921609062
Energy: 1.047860502913764
Energy: 1.1174318966358368
Energy: 1.0408802997455864
Energy: 1.2416367172768135
Energy: 1.1621483579269705
Energy: 1.1677582499190398
Energy: 1.1354371679331123
Energy: 1.0461490906616966
Energy: 1.0415751061772338
Energy: 1.1370192470061482
Energy: 1.1884028732259488
Energy: 1.0605807664429496
Energy: 1.0474479877827971
Energy: 1.046249581778942
Energy: 1.0797393687851835
Energy: 1.4963760251942315
Energy: 1.077671241643177
Energy: 0.9975271573838541
Energy: 1.015008045443334
Energy: 1.086934442706209
Energy: 1.0720137785982398
Energy: 1.023927881005698
Energy: 1.0437287107112678
Energy: 1.0058952928818954
Energy: 1.2950182297459736
Energy: 1.128003347953115
Energy: 1.041387178657087
Energy: 0.9784404614382339
Energy: 1.061951256478344
Energy: 1.2435714884753253
Energy: 1.0309623394253413
Energy: 1.0037444073240775
Energy: 0.9586320507047867
Energy: 1.0266532142594702
Energy: 1.0429554132253203
Energy: 1.1607143522869405
Energy: 1.0565884484847479
Energy: 1.0185648974930426
Energy: 1.0157837721219292
Energy: 0.9560120557489166
Energy: 1.0616010349531302
Energy: 1.027836039791895
Energy: 1.0200415292127993
Energy: 1.056787896839606

minimum gb energy = 0.9412199536077421 eV
minimum distance =  2.22277838600666 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.0312379778099887
Energy: 0.8907084435069752
Energy: 0.8450122586437863
Energy: 0.8609417026200573
Energy: 0.7807082092040333
Energy: 1.0934627177256937
Energy: 0.7889746548514371
Energy: 0.8573510290971148
Energy: 0.864279009060011
Energy: 1.013463333167941
Energy: 1.0283110382401512
Energy: 0.9241100694302745
Energy: 0.9539446056250203
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Energy: 1.0176373125603793
Energy: 1.0310671750204143
Energy: 0.9753600133057794
Energy: 0.9063410017156387
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Energy: 0.9786346320769879
Energy: 1.0097159559157534
Energy: 0.936526619044569
Energy: 0.9822647005799078
Energy: 0.9916430464749437
Energy: 0.9989608355092187
Energy: 1.0904399434891088
Energy: 0.9623805909166887
Energy: 0.9651958800402951
Energy: 0.814225560447305
Energy: 1.0165328482940996
Energy: 0.9094042085036709
Energy: 0.9710329452335946
Energy: 0.9282711151338303
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Energy: 0.9740103889471939
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Energy: 0.9712817190421982
Energy: 1.0222051436576085
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Energy: 1.0388605368801322
Energy: 0.9634222915369818
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Energy: 1.3070608896938292
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Energy: 0.9485215915713578
Energy: 0.9064411428473773
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Energy: 0.9360007107491132
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Energy: 0.8717594227535466
Energy: 0.8403267142660572
Energy: 0.9889851816716435
Energy: 0.8997213007747659
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Energy: 0.81776951521287
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Energy: 0.8921337493643567
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Energy: 0.8024007461793349
Energy: 0.909305021126024
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Energy: 0.8641088724036335
Energy: 0.8632495670392747
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Energy: 0.9233102800477662
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Energy: 0.9416331834790289
Energy: 0.8006670409371819
Energy: 0.9803974135051721
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Energy: 0.814502819115216
Energy: 0.9133094035723357
Energy: 0.8306636981459263
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Energy: 1.0026795087010498
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Energy: 0.9491715559703567
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Energy: 0.8925726501429317
Energy: 0.7795152635074265
Energy: 0.9513006467788726
Energy: 0.994893261521124
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Energy: 0.9259685590329371
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Energy: 0.9492207360596847
Energy: 0.9855981325151851
Energy: 0.9796880849226742
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Energy: 0.9352321179840825
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Energy: 0.9866085657888876
Energy: 0.9653958888911149
Energy: 0.9121016402005423
Energy: 0.9830955152498835
Energy: 0.9767307146578572
Energy: 0.9660256247497806
Energy: 0.9989112121505862
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Energy: 0.9905660641849812
Energy: 1.0017386307570137
Energy: 0.9463984994462467
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Energy: 0.9765747338547175
Energy: 0.9809219485102073
Energy: 1.219039443545704
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Energy: 0.9744005284931387
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Energy: 0.9688316948354738
Energy: 1.2120919180932876
Energy: 0.9897284130027773
Energy: 0.9858803317757446
Energy: 1.0358910351408903
Energy: 0.9494753069569892
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Energy: 0.9785204148404634
Energy: 0.9998265102367294
Energy: 1.0024352146982427
Energy: 0.9546615291489123
Energy: 0.943498935685706
Energy: 0.9810234701938007
Energy: 1.0375585882701597
Energy: 0.8639321660290652
Energy: 0.9918078777930821
Energy: 1.0884627424528435
Energy: 0.9603480190490502
Energy: 1.0641759827540127
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Energy: 0.9866579174743352
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Energy: 0.9083767323509735
Energy: 1.0055735407740696
Energy: 0.8810461570655727
Energy: 0.9223767761504704
Energy: 0.9917112935752556
Energy: 0.9053932094686935
Energy: 0.9082482309974377
Energy: 0.8794928478106896
Energy: 0.9249710185962372
Energy: 0.9554881769992993
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Energy: 1.0570458303265695
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Energy: 0.7501365064061782
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Energy: 0.7514893805221424
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Energy: 0.7770576942726041
Energy: 0.9007939630072097
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Energy: 1.0438342283573827
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Energy: 0.9497801016846519
Energy: 0.9599253100059331
Energy: 0.9550701052473304
Energy: 0.9750242465973625
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Energy: 0.9684234556803664
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Energy: 0.9388524438652811
Energy: 0.9280653999613337
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Energy: 0.9764286031702039
Energy: 1.042722487458485
Energy: 0.9084406707319922
Energy: 1.0664858953420222
Energy: 1.0235004875156697
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Energy: 0.9543464718071081
Energy: 0.8858197090969291
Energy: 1.042741272161382
Energy: 1.0065851195233653
Energy: 0.9324830976124702
Energy: 1.0364087344413129
Energy: 0.9360016157841318
Energy: 1.0772637279848403
Energy: 0.9974087658979995
Energy: 0.8882228033689303
Energy: 0.8709664531708237
Energy: 0.9058971409842402
Energy: 1.1031829763001197
Energy: 0.986440487588689
Energy: 0.9043006284989977
Energy: 0.9506770996812147
Energy: 0.9088111413970154
Energy: 1.0129444775264982
Energy: 1.1474850134213999
Energy: 0.858533233730517
Energy: 0.8472085832506511
Energy: 0.8868056207705715
Energy: 1.5079844327819576
Energy: 1.117136348878651
Energy: 0.8665017776581541
Energy: 0.9781610251874853
Energy: 0.929223771427999
Energy: 0.945054903887305
Energy: 0.9851507305111981
Energy: 0.7075542014020371
Energy: 0.8622851368485641
Energy: 0.9356068099638024
Energy: 1.0120337634021404
Energy: 0.9305467005049889
Energy: 0.8572503535735712
Energy: 0.8651468924255887
Energy: 1.0317250936339535
Energy: 1.1096928993249484
Energy: 0.9362616190517448
Energy: 0.8299217086089394
Energy: 0.8171637881191279
Energy: 0.9590404125230754
Energy: 0.9185523175270699
Energy: 0.9319630462743301
Energy: 0.8632628107538493
Energy: 0.927016942110578
Energy: 1.0219857572838085
Energy: 0.8563826411593094
Energy: 0.8647760350394303
Energy: 0.839303344721841
Energy: 0.7828005561856819
Energy: 0.9132873871241556
Energy: 0.7968597827221955
Energy: 0.8890840656117938
Energy: 0.8651032393399994
Energy: 0.8969701481298828

minimum gb energy = 0.7075542014020371 eV
minimum distance =  2.24963085883276 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.6712667270082734
Energy: 0.6952295894827094
Energy: 0.6125100918086983
Energy: 0.7035821373708003
Energy: 0.3350799598452684
Energy: 0.55221345380904
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Energy: 0.6533862268695518
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Energy: 0.6747736017476991
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Energy: 0.7930492085438994
Energy: 0.6680579948502164
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Energy: 0.6219259222127502
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Energy: 0.704080223616691
Energy: 0.8234230505766943
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Energy: 0.7387811809232482
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Energy: 0.7656528868546476
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Energy: 0.38258708070836056
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Energy: 0.6827776631714211
Energy: 0.7625627339957738
Energy: 0.3357624592688647
Energy: 0.5521379452666707
Energy: 0.7801431762503871
Energy: 1.2666127992430973
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Energy: 0.3460383414859684
Energy: 0.5521908755458883
Energy: 0.7576019970089612
Energy: 0.5872426151534444
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Energy: 0.8763058486361762
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Energy: 0.33427911732134574
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Energy: 0.33585084229168993
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Energy: 0.8700628791524118
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Energy: 0.7793877274315674
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Energy: 0.8511037290297709
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Energy: 1.6200028861507598
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Energy: 0.3764627783577545
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Energy: 0.7786202390337791
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Energy: 0.2899716662219767
Energy: 0.704071094497202
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Energy: 0.8628136822683532
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Energy: 0.6247016544166505
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Energy: 0.8678629676634034
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Energy: 0.7258221450051519
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Energy: 0.7150352958720085
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Energy: 0.6638730346274352
Energy: 0.7850136139102054
Energy: 0.6123823561765591
Energy: 0.40665465653647187
Energy: 0.6784486086101116
Energy: 1.2846178140673234
Energy: 0.7869342099983714
Energy: 0.5522200417107042
Energy: 0.29835755379635964
Energy: 0.7798891152351655
Energy: 0.6023889161581696
Energy: 0.868072084706499
Energy: 0.7040150182791092
Energy: 0.39795564269674183
Energy: 0.7373207847658887
Energy: 0.6185687648147492
Energy: 0.8258461046340265
Energy: 0.722246782357041
Energy: 0.6972861162541941
Energy: 0.6113978988335823
Energy: 0.640318414730709
Energy: 0.6136029909650869
Energy: 0.34508565565609317
Energy: 0.6267215101677541
Energy: 0.6585981343870342
Energy: 0.6910105173391073
Energy: 0.7638435977690718
Energy: 0.3465485934613455
Energy: 0.7198503220049598
Energy: 0.7907710432393391
Energy: 0.6484749858403825
Energy: 0.33516381905253123
Energy: 0.42759285535615205
Energy: 0.737297841856723
Energy: 1.1411365922460504
Energy: 0.5953669131426705
Energy: 0.3353259644019866
Energy: 0.5523889268589318
Energy: 0.7760014783570085
Energy: 0.6447739469495168
Energy: 0.7171849010066452
Energy: 0.7499873027233576
Energy: 0.6604704579256157
Energy: 0.6765672590298597
Energy: 0.5905590094983462
Energy: 0.735231126213607
Energy: 0.8044500424636772
Energy: 0.7029226400163568
Energy: 0.6470759476770129
Energy: 0.6604027600365054
Energy: 0.7271308942335228
Energy: 0.46104058624181304
Energy: 0.6990975905154702
Energy: 0.658986918198378
Energy: 0.6394514220805834
Energy: 0.6851095513979296
Energy: 0.33405078521414927
Energy: 0.719528348382837
Energy: 0.6057730225688421
Energy: 0.7396789169329631
Energy: 0.454467220802908

minimum gb energy = 0.2899716662219767 eV
minimum distance =  2.42968628909991 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.2021897904696852
Energy: 0.7548664571039656
Energy: 0.7609704211177603
Energy: 0.7252534513409311
Energy: 0.7537653025454863
Energy: 0.7709676319647877
Energy: 0.7422539525017131
Energy: 0.76542812449986
Energy: 0.7635240887464263
Energy: 0.7862697789553211
Energy: 0.8284477766070293
Energy: 0.7923627932789411
Energy: 0.803515070910444
Energy: 0.7984458379382252
Energy: 0.7841925263762887
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Energy: 0.7726943383291879
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Energy: 0.8178200591115939
Energy: 0.8135584190537756
Energy: 0.8167450413916338
Energy: 0.8082851221071834
Energy: 0.9633663278116811
Energy: 0.7991884667316438
Energy: 0.92782047025608
Energy: 0.7464996516395089
Energy: 0.786589513313658
Energy: 0.8387712594430323
Energy: 0.7724013229096572
Energy: 0.9181395595409662
Energy: 0.856465370457194
Energy: 0.7627034912621141
Energy: 0.8283176234634644
Energy: 0.7597409133995239
Energy: 0.803029749088108
Energy: 0.7994046653224932
Energy: 0.7811248027875164
Energy: 0.8185270739952325
Energy: 0.8149518767190045
Energy: 0.8795590197206823
Energy: 0.777125385913714
Energy: 0.7582364543427726
Energy: 0.7584916427875633
Energy: 0.7986825620384084
Energy: 0.8367167950347519
Energy: 0.7687691998820492
Energy: 0.7862976621840627
Energy: 0.7884154229471831
Energy: 0.7622932284935809
Energy: 0.8245483304095866
Energy: 0.753153934538896
Energy: 0.7725805930319481
Energy: 0.8963321961532957
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Energy: 0.7592999223320395
Energy: 0.7450304376082257
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Energy: 0.7630379617699566
Energy: 0.7791843166736436
Energy: 0.783566336636155
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Energy: 0.7920382984148836
Energy: 0.8147606822014545
Energy: 0.9015737513280876
Energy: 0.7773259954264683
Energy: 0.7570569679643611
Energy: 1.1581564510380635
Energy: 0.8018140835468327
Energy: 0.7557143901577136
Energy: 0.7729601734490436
Energy: 0.7668474896233333
Energy: 0.7989142975527558
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Energy: 0.7825664072614443
Energy: 0.7436698181299265
Energy: 0.7660535268835577
Energy: 0.8325767582876299
Energy: 0.7858443178828423
Energy: 0.8247809021606994
Energy: 0.7509724319533484
Energy: 0.8244890486492488
Energy: 0.7921014617599071
Energy: 0.7416438025441511
Energy: 0.7682560170396577
Energy: 0.7579981024146832
Energy: 0.7898978692574912
Energy: 0.7830210566677588
Energy: 0.7390971843419186
Energy: 0.8409153384110921
Energy: 0.7570525319699828
Energy: 0.8266462144956624
Energy: 0.765882676257974
Energy: 0.7764526913815591
Energy: 0.8201016502897518
Energy: 0.7791302552437025
Energy: 0.7849901144133237
Energy: 0.7570996466956356
Energy: 0.7602897291812498
Energy: 0.782282170049538
Energy: 0.7494987060115672
Energy: 0.8011149977275935
Energy: 0.7639345625831979
Energy: 0.7591688917164943
Energy: 0.8023851754445398
Energy: 0.7505554904981369
Energy: 0.7894143305945169
Energy: 0.7508033170791027
Energy: 0.7765140738934337
Energy: 0.7644104513303738
Energy: 0.7795474789963862
Energy: 0.8920271331228494
Energy: 0.7561676565719483
Energy: 0.8774601413422138
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Energy: 0.8014742744600005
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Energy: 0.7795764117291263
Energy: 0.786788946542284
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Energy: 0.7996173476675902
Energy: 0.7538524266697665
Energy: 0.7992822897233905
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Energy: 0.8583896788563461
Energy: 0.750474847355106
Energy: 0.7565370978354828
Energy: 0.7332801080957996
Energy: 0.7923723733903311
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Energy: 0.8037014904278692
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Energy: 0.7710834466825172
Energy: 0.7649087822758663
Energy: 0.7316748169478919
Energy: 0.7651623556676379
Energy: 0.7679520161327986
Energy: 0.76678521163783

minimum gb energy = 0.7153190580826703 eV
minimum distance =  2.23230981695569 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.0196924031138066
Energy: 1.069374856139909
Energy: 1.0612268199849602
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Energy: 1.2909131973244048
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Energy: 1.2722355309686078
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Energy: 1.0127404169300147
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Energy: 1.1332773875418618
Energy: 1.056310531052113
Energy: 1.033028599261907
Energy: 1.0689954398140398
Energy: 1.0705406440881597
Energy: 1.0509129958750765
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Energy: 1.0562826907861338
Energy: 1.0551940493729262
Energy: 1.033771550267412
Energy: 1.0419876921616187
Energy: 1.0416746094178078
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Energy: 1.0698995764059465
Energy: 1.0675037853227738
Energy: 1.038068283138359
Energy: 1.079076779967018
Energy: 1.0918381758484537
Energy: 1.036264716389774
Energy: 1.0819403188556878

minimum gb energy = 1.0096107585388798 eV
minimum distance =  2.25110782579446 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.296331530385257
Energy: 1.3412816609593672
Energy: 1.2685742091758374
Energy: 1.3695162955384703
Energy: 1.3876700390125967
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Energy: 1.2637446626864741
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Energy: 1.21978560278329
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Energy: 1.2882414576700605
Energy: 1.6485301517973678
Energy: 1.3100919443978438
Energy: 1.2391296336100992
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Energy: 1.3273624432346098
Energy: 1.2443157851636404
Energy: 1.305963047898367
Energy: 1.286486559344776
Energy: 1.439493930112562
Energy: 1.3587020417381057
Energy: 1.2410742485554147
Energy: 1.2886564950535853
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minimum gb energy = 1.193004788309365 eV
minimum distance =  2.23581019298583 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.3483370209504038
Energy: 1.2110987066411731
Energy: 1.3015242583464892
Energy: 1.6519674761538095
Energy: 1.4303785225458996
Energy: 1.3626022095999715
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Energy: 1.2788929880335007
Energy: 1.1917052667799215
Energy: 1.2482949085772321
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Energy: 1.388421669991698
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Energy: 1.5039360322709991
Energy: 1.2796388048610277
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Energy: 1.392364807087784
Energy: 1.4401801577499478
Energy: 1.2403272623283073
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Energy: 1.2232150822489956
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Energy: 1.2641028611019887
Energy: 1.6394714254512714
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Energy: 1.2064623815383462
Energy: 1.2023489945832917
Energy: 1.270929201066154
Energy: 1.5788218256101694
Energy: 1.1939440309617029
Energy: 1.2488466156278106
Energy: 1.3056949105809157
Energy: 1.3449293608771835
Energy: 1.2936582580502498
Energy: 1.2293781980951262
Energy: 1.221464557557844
Energy: 1.2790085256290558
Energy: 1.3126012525050181
Energy: 1.4352374419831777
Energy: 1.3361522241521397
Energy: 1.3049827923596478
Energy: 1.2623943368201673
Energy: 1.288239855422846
Energy: 1.3176612820759865
Energy: 1.2726349048902057
Energy: 1.358655209795929
Energy: 1.2599246559960011
Energy: 1.4424684971476442
Energy: 1.269203661238717
Energy: 1.2594594472691532
Energy: 1.3938325825312847
Energy: 1.2361796464942065
Energy: 1.4378890265675557
Energy: 1.2618496157448116
Energy: 1.2518903395746663
Energy: 1.279496313465495
Energy: 1.2422645743422567
Energy: 1.3813564827873974
Energy: 1.2594405830848179
Energy: 1.2611727956350252
Energy: 1.287925299645927
Energy: 1.4251955800543856
Energy: 1.228105176100958
Energy: 1.2796804615407318
Energy: 1.255864193193058
Energy: 1.3169444385784879
Energy: 1.447995993664992
Energy: 1.2627678963029922
Energy: 1.2881228135835412
Energy: 1.6865979022358735
Energy: 1.2529414381831447
Energy: 1.2746278309921497
Energy: 1.28575057038706
Energy: 1.250119076830289
Energy: 1.4043437776991772
Energy: 1.2410014977364106
Energy: 1.2347760137829242
Energy: 1.305829066068569
Energy: 1.3911795878064404

minimum gb energy = 1.163551507120277 eV
minimum distance =  2.23807832967196 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 1.2038889366365961
Energy: 1.2422324319335332
Energy: 1.2052279917026487
Energy: 1.1442654258346108
Energy: 1.4339018517621007
Energy: 1.1601986451205166
Energy: 1.620499085536581
Energy: 1.152475949518482
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Energy: 1.2352664497462442
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Energy: 1.162597165368488
Energy: 1.146142301631843
Energy: 1.2230468579355744
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Energy: 1.149183296305672
Energy: 1.253035207500292
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Energy: 1.2038336441423858
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Energy: 1.2432693585707104
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Energy: 1.542180468800722
Energy: 1.3000629483080473
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Energy: 1.1427368042465629
Energy: 1.7769287482315608
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Energy: 1.2580993389535153
Energy: 1.237699389899968
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Energy: 1.1442802528343732
Energy: 1.217168600828418
Energy: 1.1864379695819003
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Energy: 1.1625593220166197
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Energy: 1.1847238780031433
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Energy: 1.2530555484616197
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Energy: 1.2454278853910816
Energy: 1.1346054666294563
Energy: 1.1684235111732584
Energy: 1.2006181367730522
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Energy: 1.2396679358489833
Energy: 1.2089099097236675
Energy: 1.1490768651691272
Energy: 1.207204103216823
Energy: 1.2542063113072195
Energy: 1.1536683576358233
Energy: 1.1354322688660452
Energy: 1.1362485687982011
Energy: 1.7554750930783665
Energy: 1.1765442844160119
Energy: 1.147149940208673
Energy: 1.1370779720545412
Energy: 1.1677227480261898
Energy: 1.5061467278407434
Energy: 1.1548783190575336
Energy: 1.151332727866176
Energy: 1.1716387745033268
Energy: 1.2310515367052786
Energy: 1.156772874162809
Energy: 1.1404362843419484
Energy: 1.247488431104232
Energy: 1.2459285487726215
Energy: 1.2022352697325034
Energy: 1.3415879111741413
Energy: 1.1419743794464157
Energy: 1.152001194411484
Energy: 1.2935317462240465
Energy: 1.1509614899595677
Energy: 1.2799209653899657
Energy: 1.5286068436658582
Energy: 1.1486059212091877
Energy: 1.285228838201036
Energy: 1.15516306858647
Energy: 1.1678973870798144
Energy: 1.2425336907545959
Energy: 1.1471006849127183
Energy: 1.2408433127196774
Energy: 1.4784834156242657
Energy: 1.1480849170532
Energy: 1.1390519973448663
Energy: 1.2205073113961635
Energy: 1.5148448060710633
Energy: 1.260841606792341
Energy: 1.4016564971517893
Energy: 1.1451639111018324
Energy: 1.159572900932184
Energy: 1.1438531383359885
Energy: 1.1401743279266467
Energy: 1.1575620373937987
Energy: 1.6386509618588674
Energy: 1.1525597197585238
Energy: 1.1547028541317008
Energy: 1.1985500968789895
Energy: 1.1851706347281143
Energy: 1.5070540257822531
Energy: 1.2944397943897414
Energy: 1.3109990132544342
Energy: 1.5088061143399987
Energy: 1.1460467821786346
Energy: 1.211944163194658
Energy: 1.2830265451848102
Energy: 1.1458059422515634
Energy: 1.2473469830298325
Energy: 1.153833110091154
Energy: 1.2192182261403777
Energy: 1.153704774799012
Energy: 1.203823124458684
Energy: 1.1557378943428624
Energy: 1.2907673653747984
Energy: 1.1650482244132547
Energy: 1.147652834440798
Energy: 1.1956186850640813
Energy: 1.3038146778987842
Energy: 1.162151342395031
Energy: 1.5494148150968152

minimum gb energy = 1.133927338672546 eV
minimum distance =  2.24407879134445 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.4165673476068146
Energy: 1.287292251424322
Energy: 1.3585091550892263
Energy: 1.2324497272800952
Energy: 1.2503261743195815
Energy: 1.1737189673941393
Energy: 1.253885610856222
Energy: 1.2961138510843786
Energy: 1.280040427468247
Energy: 1.2366133202390777
Energy: 1.283175077752231
Energy: 1.28473347955134
Energy: 1.264323094663087
Energy: 1.2593422225610804
Energy: 1.3158051705284375
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Energy: 1.2386810574426108
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Energy: 1.2297760829765356
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Energy: 1.2320212727587225
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Energy: 1.2295425703543374
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Energy: 1.4009971463169673
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Energy: 1.407558526640956
Energy: 1.3020093546719322
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Energy: 1.4413304866053964
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Energy: 1.2233463012599055
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Energy: 1.2339134153319022
Energy: 1.2036020080370664
Energy: 1.2072331320238043
Energy: 1.2672299013619315
Energy: 1.374755626719332
Energy: 1.302120012468672
Energy: 1.3402778463274763
Energy: 1.2012558452695967
Energy: 1.2579713362670293
Energy: 1.3524891585740244
Energy: 1.2915384982329348
Energy: 1.3125008022292683
Energy: 1.2792419605487504
Energy: 1.2246452550451852
Energy: 1.2106841620927464
Energy: 1.2532321748554893
Energy: 1.461124199862781
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Energy: 1.2312806411643387
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Energy: 1.2521066856363015
Energy: 1.428999953114701
Energy: 1.273546536428658
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Energy: 1.3429217143581353
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Energy: 1.4006388241639443
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Energy: 1.2104226694892586
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Energy: 1.4453785558386187
Energy: 1.3989283938092196
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Energy: 1.2259351001134464
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Energy: 1.3642674312503817
Energy: 1.1570901603868025
Energy: 1.1961830455590174
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Energy: 1.4265616117164674
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Energy: 1.3154079964129561
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Energy: 1.2507611449753167
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Energy: 1.2666999251255093
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Energy: 1.3753563125156796
Energy: 1.2433729331968555
Energy: 1.2999575997476893
Energy: 1.3545686569254658
Energy: 1.231322007230117
Energy: 1.2423094957219296
Energy: 1.2315983172215648
Energy: 1.4685266386578342
Energy: 1.3638877307469304
Energy: 1.2250795305833626
Energy: 1.2767481584255818
Energy: 1.4415167186307225
Energy: 1.2627973259970018
Energy: 1.2028828434380703
Energy: 1.1882587004234644
Energy: 1.1984977663543706
Energy: 1.4252469219181376
Energy: 1.2617911563851192
Energy: 1.2027308920324509
Energy: 1.188691445831969
Energy: 1.1978557683768862
Energy: 1.5596057511798962
Energy: 1.2477802971032705
Energy: 1.3018907192886024
Energy: 1.3475330103329959
Energy: 1.2134059528593921
Energy: 1.4702721843847226
Energy: 1.253088250059714
Energy: 1.2923599412249056
Energy: 1.3083777327990411
Energy: 1.2281641964730912
Energy: 1.4488807569594346
Energy: 1.3185602206925162
Energy: 1.1944064721001288
Energy: 1.1954597473846678
Energy: 1.2701466136508586
Energy: 1.4579892059145136
Energy: 1.3213646006322235
Energy: 1.247955338769152
Energy: 1.1912896363304606
Energy: 1.2745894926553172
Energy: 1.2718425316435449
Energy: 1.2289327894245083
Energy: 1.2871327646508757
Energy: 1.2281944569170304
Energy: 1.2366378261719604
Energy: 1.2835504716029922
Energy: 1.2346609716128274
Energy: 1.2343701053302063
Energy: 1.199644171889474
Energy: 1.2183492191013505
Energy: 1.2816121773902347
Energy: 1.3912414545327192
Energy: 1.292657840246608
Energy: 1.3046927894533253
Energy: 1.2084223562047398
Energy: 1.3126848544950154
Energy: 1.3044877526860779
Energy: 1.3527165772558152
Energy: 1.26469976727609
Energy: 1.2122297752682445
Energy: 1.3892950097418066
Energy: 1.3436423572910388
Energy: 1.3860034891314237
Energy: 1.32215557835329
Energy: 1.3863159778964174
Energy: 1.3388376539023237
Energy: 1.3447786544665057
Energy: 1.3733025018528489
Energy: 1.3151032050279636
Energy: 1.4666908083879835
Energy: 1.2142004500933727
Energy: 1.233237789290934
Energy: 1.246602244259716
Energy: 1.2686066287939555
Energy: 1.26280239716509
Energy: 1.2040134638324158
Energy: 1.2655719247759487
Energy: 1.4149199955271898
Energy: 1.2764626375929597
Energy: 1.354113257674109
Energy: 1.3631324242699845
Energy: 1.3329705716322653
Energy: 1.4386715145481836
Energy: 1.4061303718097562
Energy: 1.2589727957087122
Energy: 1.342063453332515
Energy: 1.3531747417050282
Energy: 1.451379354442485
Energy: 1.3633886329353206
Energy: 1.2413776187190924
Energy: 1.1763010938768939
Energy: 1.3749966418517368
Energy: 1.332009144924745
Energy: 1.2063345541617658
Energy: 1.1525512247355916
Energy: 1.1798295770542166
Energy: 1.4302858373599
Energy: 1.1909119994933415
Energy: 1.238930604689322
Energy: 1.1497119841440175
Energy: 1.2470505491556154
Energy: 1.3397549158794553
Energy: 1.2442153674129637
Energy: 1.2110077393063985
Energy: 1.224983031544792
Energy: 1.273742077337696
Energy: 1.29542578900489
Energy: 1.2499820423178083
Energy: 1.1923486409249127
Energy: 1.1955493730050148
Energy: 1.2243010631385267
Energy: 1.3218389006991218
Energy: 1.2524961719360612
Energy: 1.3792702733096505
Energy: 1.2609327566214152
Energy: 1.2363294263613052
Energy: 1.3177713055565283
Energy: 1.3290623407213766
Energy: 1.4024731172244453
Energy: 1.2389272752409366
Energy: 1.2218274705006187
Energy: 1.2112070166616065
Energy: 1.2201958634269907
Energy: 1.486574463883225
Energy: 1.1973050688309004
Energy: 1.2605618383724322
Energy: 1.197181458417469
Energy: 1.236022360855247
Energy: 1.4301371969519938
Energy: 1.2276368228729693
Energy: 1.1548166539000022
Energy: 1.1967572835812788
Energy: 1.1935467433528173
Energy: 1.3456813466032662
Energy: 1.1911063348460216
Energy: 1.153033975474535
Energy: 1.2139906806474223
Energy: 1.2383484880430065
Energy: 1.407288027856784
Energy: 1.160655399735166
Energy: 1.1866373113214745
Energy: 1.4350297731431385
Energy: 1.4532225547492335
Energy: 1.4324705420904091
Energy: 1.3390205950812457
Energy: 1.202030711995809
Energy: 1.3936855027551285
Energy: 1.4540964793568723
Energy: 1.2853845223670821
Energy: 1.3427056201134886
Energy: 1.3621298280005572
Energy: 1.2956795114070259
Energy: 1.3197295573876529
Energy: 1.3671339944456087
Energy: 1.4088230737852312
Energy: 1.2124150037622057
Energy: 1.269196247512319
Energy: 1.4533196684878167
Energy: 1.3487800301331192
Energy: 1.345819307768793

minimum gb energy = 1.1497119841440175 eV
minimum distance =  2.22817429260306 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.8671058508795828
Energy: 1.1993129064820136
Energy: 1.306631742387878
Energy: 1.225286394971696
Energy: 1.2846430496622943
Energy: 1.8624275113086748
Energy: 1.297418758028639
Energy: 1.3809476974064265
Energy: 1.251869366916807
Energy: 1.2545638814355218
Energy: 1.2040407321255304
Energy: 1.3115310975997547
Energy: 1.3175369497989204
Energy: 1.314040600698356
Energy: 1.339058918130087
Energy: 1.1825662699650976
Energy: 1.3304854111831588
Energy: 1.3171825449125605
Energy: 1.3190676540691304
Energy: 1.3323454827033896
Energy: 1.1116637739623842
Energy: 1.1835009177407219
Energy: 1.2393286581491216
Energy: 1.1124474250313023
Energy: 1.2007638507676224
Energy: 1.1284800921467215
Energy: 1.2017830959900628
Energy: 1.3051071010911195
Energy: 1.1468577097467259
Energy: 1.1661350180635892
Energy: 1.0660416079096962
Energy: 1.16788040300079
Energy: 1.2219672926856666
Energy: 1.1147211129387289
Energy: 1.198078165910707
Energy: 1.0893796653016532
Energy: 1.1155185668390093
Energy: 1.2199564884319243
Energy: 1.1414134499239443
Energy: 1.2161058989463347
Energy: 1.187655635142308
Energy: 1.2190654779125
Energy: 1.2747399211563077
Energy: 1.1370524073095927
Energy: 1.358839807399039
Energy: 1.1836212057094995
Energy: 1.198399119748044
Energy: 1.131732263452747
Energy: 1.1380752158877763
Energy: 1.3562749505383116
Energy: 1.2459609804724359
Energy: 1.1941521715748258
Energy: 1.2468687287543914
Energy: 1.116166426127142
Energy: 1.4170731799877492
Energy: 1.2461591143274509
Energy: 1.1971871348775185
Energy: 1.2157187763247284
Energy: 1.1136218054744595
Energy: 1.4388642641741194
Energy: 1.1481061282390514
Energy: 1.131209917775583
Energy: 1.2220704646110454
Energy: 1.2544535899900238
Energy: 1.2645770791832733
Energy: 1.1462912811283539
Energy: 1.1648100150444596
Energy: 1.223448396621819
Energy: 1.3065829071198047
Energy: 1.2693125641519467
Energy: 1.286313628703716
Energy: 1.1540433275188504
Energy: 1.20451152591993
Energy: 1.4336848199107173
Energy: 1.3245863020132407
Energy: 1.149026434646656
Energy: 1.1825178509799648
Energy: 1.1888765436808577
Energy: 1.4177113005772672
Energy: 1.327882134158156
Energy: 1.1765316013344418
Energy: 1.3247962657860946
Energy: 1.1647768757984425
Energy: 1.3283084438535546
Energy: 1.1324421885935618
Energy: 1.158653127674479
Energy: 1.241688957840251
Energy: 1.1644421761925097
Energy: 1.3298440820755062
Energy: 1.1485334962326148
Energy: 1.128199380357803
Energy: 1.437373997635265
Energy: 1.1664543818774804
Energy: 1.377283213819011
Energy: 1.2397093549236562
Energy: 1.1493610286375746
Energy: 1.401284991693468
Energy: 1.153391014014804
Energy: 1.3641367689110875
Energy: 1.1727524933830173
Energy: 1.184513574317203
Energy: 1.137392172354972
Energy: 1.2273865205933896
Energy: 1.2542884992059766
Energy: 1.2029896845947112
Energy: 1.1855933286691565
Energy: 1.1655675626588387
Energy: 1.2091585332086916
Energy: 1.3840905145422366
Energy: 1.1842238536905352
Energy: 1.0653077807141842
Energy: 1.0430710951784399
Energy: 1.1179559673623005
Energy: 1.333462999355776
Energy: 1.0452943514373614
Energy: 1.0569022796279735
Energy: 1.0404579678847192
Energy: 1.2904885199601999
Energy: 1.2799921476391463
Energy: 1.047517032940119
Energy: 1.169970165934354
Energy: 1.2130198182529779
Energy: 1.4198894329875773
Energy: 1.3577771628316653
Energy: 1.2346506851874648
Energy: 1.2167306015570711
Energy: 1.2008242698360325
Energy: 1.4181151724156085
Energy: 1.3550960998816173
Energy: 1.3012969857199344
Energy: 1.3094451282074633
Energy: 1.192392733434604
Energy: 1.3961737138956418
Energy: 1.413120983167942
Energy: 1.1062172767575755
Energy: 1.1957235953815109
Energy: 1.2019364398697776
Energy: 1.3153997404512148
Energy: 1.1438839122792994
Energy: 1.2522391237591302

minimum gb energy = 1.0404579678847192 eV
minimum distance =  2.23868542749009 Angstroms
sigma value = 33