Model name: model_name=EAM_MagneticCubic_DerletNguyenDudarev_2007_Mo__MO_424746498193_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.147199973464012
cohesive_energy=6.820536450052486
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.475574238557954e-21, 2.72985263607456e-20, 4.9647448446075e-20, 6.895640058605279e-20, 1.0447393286155498e-19, 1.5573220969545358e-19, 2.2250868875328598e-19, 3.4502072724872997e-19, 4.70389446682596e-19, 5.834518473907079e-19, 6.764165444019241e-19, 7.526641304139839e-19, 8.18148293798832e-19, 8.76962595856338e-19, 9.29055766934214e-19, 9.73665170954676e-19, 1.010173969913634e-18, 1.0385100658625578e-18, 1.059114057375798e-18, 1.0733109445296719e-18, 1.082757377963736e-18, 1.0886309575039798e-18, 1.091745588880476e-18, 1.092684464388e-18, 1.091644651752534e-18, 1.087994893380282e-18, 1.081392323471568e-18, 1.071758435371326e-18, 1.05895063535913e-18, 1.042722188233344e-18, 1.0226709476588338e-18, 9.97702626994578e-19, 9.660436167067378e-19, 9.255005369833679e-19, 8.73373720196178e-19, 8.063706933622979e-19, 7.20737556628266e-19, 6.11203148868222e-19, 4.696364236646159e-19, 2.83543607625516e-19, 3.38062474127268e-20, -3.05890767316548e-19, -7.681956307039799e-19, -1.3917723897165838e-18, -2.2275221960165398e-18, -3.34645031366946e-18, -4.88785638794184e-18, -7.0981231416102e-18, -1.034400482796348e-17, -1.4992752375047158e-17, -2.1454426870567197e-17, -3.10817460466098e-17, -4.68854561467224e-17, -7.327042139076119e-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: 0.021252163888298203
Energy: 2.3349415157645232
Energy: 2.2654111965027837
Energy: 0.021967882473741145
Energy: 0.022038099132864346
Energy: 2.5652649681765847
Energy: 0.021723168930441492
Energy: 0.2711026398815154
Energy: 0.41836923372856516
Energy: 0.7087564070591194
Energy: 0.2699515655750612
Energy: 0.4204164854776216
Energy: 0.41821811552390625
Energy: 0.2697178353281924
Energy: 0.2706055694062845
Energy: 0.41849332605046186
Energy: 0.4192438950099904
Energy: 0.2699778542318488
Energy: 0.7084228281047079
Energy: 0.4186797473068442
Energy: 0.26995096160241105
Energy: 0.3287425216944219
Energy: 0.4183577575775262
Energy: 0.41830874746502056
Energy: 0.27050585382954323
Energy: 0.3265410590071357
Energy: 0.41832355250039954
Energy: 0.26962701280181023
Energy: 0.3246942950321951
Energy: 0.41947253419331926
Energy: 0.6283970843368979
Energy: 0.270674891762345
Energy: 0.7085378982053293
Energy: 0.41878160343898024
Energy: 0.27184750841662303
Energy: 0.022204518957852706
Energy: 0.418504188514855
Energy: 0.3238143638100707
Energy: 0.02241302719750389
Energy: 0.02255966873720784
Energy: 0.4188025191813474
Energy: 0.27086765446475547

minimum gb energy = 0.021252163888298203 eV
minimum distance =  2.68837180978384 Angstroms
sigma value = 5


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

Energy: 3.5592551610739065
Energy: 2.8790048478235524
Energy: 2.635109044545113
Energy: 3.3804465780898463
Energy: 2.2427940591150337
Energy: 2.706982740589866
Energy: 2.920993733299163
Energy: 2.2786159346884465
Energy: 2.1833185255483087
Energy: 2.3111624677926965
Energy: 2.297531099083467
Energy: 2.2563964659930136
Energy: 2.3310605045290287
Energy: 2.2298763543136655
Energy: 2.181409148363073
Energy: 2.223807375934074
Energy: 2.229152032760098
Energy: 2.175304700521193
Energy: 2.2261436034572637
Energy: 2.2145839681680766
Energy: 2.1601715234339753
Energy: 2.092192141776676
Energy: 2.1624243655802355
Energy: 2.1443954693080243
Energy: 2.085974835173752
Energy: 2.116878065964344
Energy: 2.1634932363731636
Energy: 2.133583930229615
Energy: 2.274536049714504
Energy: 2.2531681707456097
Energy: 2.206053262342079
Energy: 2.166228605864613
Energy: 2.219967352450778
Energy: 2.215159374085165
Energy: 2.21956522368779
Energy: 2.1969082716995527
Energy: 2.2075875813704644
Energy: 2.1278804317864624
Energy: 2.184385847444167
Energy: 2.167832732556974
Energy: 2.1656546671268373
Energy: 2.1859750778997187
Energy: 2.1539140319971923
Energy: 2.1105064680002794
Energy: 2.11696408479499
Energy: 2.187657035435905
Energy: 2.1876000347535043
Energy: 2.0992207819458573
Energy: 2.11426406147129
Energy: 2.2563962234094195
Energy: 2.222169665877952
Energy: 2.202713122870743
Energy: 2.2165831420043483
Energy: 2.2353329270409987
Energy: 2.1662181330332624
Energy: 2.2625605945095772
Energy: 2.4299939361528615
Energy: 2.2619283925752436
Energy: 2.2873515975677563
Energy: 2.462727168804693
Energy: 2.2553734159495535
Energy: 2.204915755887401
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Energy: 2.2230850109540103
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Energy: 2.312223432850688
Energy: 2.277603685807164
Energy: 2.386325264799821
Energy: 2.361948226300822
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Energy: 2.279706362312395
Energy: 2.3364853171761655
Energy: 2.2890702582908617
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Energy: 2.255409977443523
Energy: 2.1317909924512453
Energy: 2.1440827358238215
Energy: 2.3238154253311563
Energy: 2.3200540959313174
Energy: 2.082879059710355
Energy: 2.1849533096480083
Energy: 2.1213811369885422
Energy: 2.2062324707382674
Energy: 2.220917905648607
Energy: 2.2501355800443448
Energy: 2.1549773593421135
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Energy: 2.0507093559976908
Energy: 2.021810930017814
Energy: 2.073170904913503
Energy: 2.075152781207116
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Energy: 2.044337594650723
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Energy: 2.0412233025672104
Energy: 2.1092912331576614
Energy: 2.1228731484145547
Energy: 2.0866936645010554
Energy: 2.0687152679566965
Energy: 2.090560444474655
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Energy: 2.199113706756899
Energy: 2.213419289676428
Energy: 2.138244672443566
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Energy: 2.3573994389832524
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Energy: 2.303910836607988
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Energy: 2.1883058316676243
Energy: 2.0273464342004988
Energy: 2.1232209466003975
Energy: 2.1080914408520224
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Energy: 2.0916289510514
Energy: 2.148831937819152
Energy: 2.0340255100680547
Energy: 1.988686429139496
Energy: 2.0739910694700137
Energy: 2.050827533594074
Energy: 2.0283426825017257
Energy: 2.064196886617041
Energy: 2.0766559258337867
Energy: 2.04045117200818
Energy: 2.0506244976811225
Energy: 2.114760609792878
Energy: 2.0714297018983197
Energy: 2.04543521721666
Energy: 2.07055173474236
Energy: 2.0969923786904974
Energy: 2.0860324977663423
Energy: 2.2137491230927986
Energy: 2.3342790593267244
Energy: 2.2362493782472104
Energy: 2.2764870930193086
Energy: 2.195290137766058
Energy: 2.3114158486466594
Energy: 2.2796415900815696
Energy: 2.364408302063204
Energy: 2.3810128686347594
Energy: 2.3279402076221096
Energy: 2.376916875546426
Energy: 2.3840197812906476
Energy: 2.3276550032193604
Energy: 2.390739468600199
Energy: 2.237622475500259
Energy: 2.3685901662545565
Energy: 2.337986018387721
Energy: 2.2521584299464714
Energy: 2.1944872290219957
Energy: 2.341179076260317
Energy: 2.2841208342101997
Energy: 2.3994077675091816
Energy: 2.286533495026128
Energy: 2.261529917950979
Energy: 2.3033049992756824
Energy: 2.342674956401449
Energy: 2.2593337436462075
Energy: 2.28420676552248
Energy: 2.3339511929924455
Energy: 2.40694460808205
Energy: 2.3637810534693906
Energy: 3.04093182126598
Energy: 2.9050623375475078
Energy: 2.402407510386254
Energy: 2.7452400514556934
Energy: 2.3710431731251704
Energy: 2.3079411975613575
Energy: 2.2744764943270854
Energy: 2.3043752460990943
Energy: 2.3733802508908823
Energy: 2.2655461298775195
Energy: 2.278966688858444
Energy: 2.081502852396363
Energy: 2.0567652901086353
Energy: 2.0702741940914553
Energy: 2.0772539472735376
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Energy: 2.0315395293724814
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Energy: 2.0656644777563073
Energy: 2.0548584071448066
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Energy: 2.0590054080156177
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Energy: 2.0337672066520813
Energy: 2.17020614252037
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Energy: 2.3519358505621835
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Energy: 2.3325555474567414
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Energy: 2.1526231941285245
Energy: 2.251321659531199
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Energy: 2.210790225591765
Energy: 2.2186518805537587
Energy: 2.264292489967195
Energy: 2.355793619712402
Energy: 2.301083172218287
Energy: 2.230424555950998
Energy: 2.3844659719690835
Energy: 2.2722824325811706
Energy: 2.201302675058872
Energy: 2.2483377176829893
Energy: 2.3019247502867994
Energy: 2.305509663133735
Energy: 2.2427715325147
Energy: 2.350673835333178
Energy: 2.3061489578566974
Energy: 2.2578354527440148
Energy: 2.3755924128262933
Energy: 2.3714000662477073
Energy: 2.320685495742712
Energy: 2.2108956267546844
Energy: 2.38072645766291
Energy: 2.3532135811084047
Energy: 2.230966681268637
Energy: 2.360833365654967
Energy: 2.1972809911762092
Energy: 2.078483844224405
Energy: 2.124551534094764
Energy: 2.1932466871155314
Energy: 2.0939552276345355
Energy: 2.152158262524455
Energy: 2.2040478830145096
Energy: 2.0921238384397896
Energy: 2.051975657049615
Energy: 2.078257124064914
Energy: 2.113209503895004
Energy: 2.0752084043503642
Energy: 2.083128138416279
Energy: 2.1347711183836475
Energy: 1.9748029147851698
Energy: 2.0706443325786013
Energy: 2.0736770742909636
Energy: 2.0909839305262756
Energy: 2.0565243836857543
Energy: 2.0574523056974265
Energy: 2.092351025251023
Energy: 2.3038860153646628
Energy: 2.2750348697705873
Energy: 2.2702180857713836
Energy: 2.163772608867372
Energy: 2.158106940276979
Energy: 2.3243501173267362
Energy: 2.233208827310273
Energy: 2.2370775603887063
Energy: 2.3748121189678493
Energy: 2.3907722117414205
Energy: 2.088889395667413
Energy: 2.3345348612683647
Energy: 2.3454779868999363
Energy: 2.096053433816025
Energy: 2.1326923811332583
Energy: 2.3143283712480014
Energy: 2.206156493028391
Energy: 2.120288787473604
Energy: 2.309327764516966
Energy: 2.349761036523027
Energy: 2.1607210687785865
Energy: 2.2725657379609236
Energy: 2.292903376329423
Energy: 2.3837041230006215
Energy: 2.243822710597259
Energy: 2.2756896271311735
Energy: 2.34054254296908
Energy: 2.297749488905671
Energy: 2.2660192651600792
Energy: 2.2867358807346703
Energy: 2.4587639532235555
Energy: 2.276048252081737
Energy: 2.2506702498977598
Energy: 2.4785425359569864
Energy: 2.27062352763455

minimum gb energy = 1.9748029147851698 eV
minimum distance =  2.45432968742608 Angstroms
sigma value = 401


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

Energy: 3.0900485868138863
Energy: 2.74427332970204
Energy: 2.562402256243692
Energy: 2.5719360819608568
Energy: 2.4685908289941167
Energy: 2.8200130791947418
Energy: 2.7392503929109036
Energy: 2.1239808611883335
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Energy: 2.3911486214383673
Energy: 2.214065921923103
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Energy: 2.278318711859734
Energy: 2.3382052379608704
Energy: 2.2329854757815535
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Energy: 2.366047775248424
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Energy: 2.37071354236981
Energy: 2.3081082678166385
Energy: 2.409409728811369
Energy: 2.313049545398101
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Energy: 2.3558450147547516
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Energy: 2.4198374134342946
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Energy: 2.3392174466921904
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Energy: 2.2504311800090937
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Energy: 2.6283416764210665
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Energy: 2.145543205140282
Energy: 2.5765132900532923
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Energy: 2.1989051320562054
Energy: 2.3116565058944243
Energy: 2.3140139139309848
Energy: 2.3000891170476083
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Energy: 2.6476676206523186
Energy: 2.220434595657982
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Energy: 2.304270582044975
Energy: 2.7185721998064163
Energy: 2.0889826859313914
Energy: 2.0677165439287126
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Energy: 2.2112360361379775
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Energy: 2.0993310115935686
Energy: 2.337670270008734
Energy: 2.053703984646254
Energy: 2.054773552321679
Energy: 2.3983057330408397
Energy: 2.186052841937316
Energy: 2.129714818352653
Energy: 2.280049235597912
Energy: 2.324642732413447
Energy: 2.162079042731657
Energy: 2.1356324632636676
Energy: 2.3976292777107764
Energy: 2.2188184626117082
Energy: 2.148478289630267
Energy: 2.2156414578865418
Energy: 2.3690098782254436
Energy: 2.2069738259354152
Energy: 2.1894176273427863
Energy: 2.359654045752427
Energy: 2.3253049010568603
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Energy: 2.2810307417965086
Energy: 2.378166050774927
Energy: 2.2771609260959487
Energy: 2.205345320648761
Energy: 2.3714664589788974
Energy: 2.264541696730984
Energy: 2.4502106548667046
Energy: 2.42139976140251
Energy: 2.403165860651972
Energy: 2.363395365876599
Energy: 2.406609604491694
Energy: 2.3151548595325653
Energy: 2.4268059048373862
Energy: 2.3475639177410885
Energy: 2.2894645353535568
Energy: 2.288651129147215
Energy: 2.3333125605294156
Energy: 2.3905380598458437
Energy: 2.2248995214440974
Energy: 2.3725920884028078
Energy: 2.4171419949225235
Energy: 2.337210363679463
Energy: 2.2629040681766184
Energy: 2.3306809937393638
Energy: 2.450348605317158
Energy: 2.2914328784190072
Energy: 2.2864224814794567
Energy: 2.2534118528044447
Energy: 2.180690366357344
Energy: 2.4246560578116494
Energy: 2.4822937290983034
Energy: 2.211836361693259
Energy: 2.3941966897117424
Energy: 2.3967284959235458
Energy: 2.492009666915216
Energy: 2.2596167032409586
Energy: 2.4121816426419613
Energy: 2.315031743551482
Energy: 2.2831769859998383
Energy: 2.4807988366076295
Energy: 2.4086192031826976
Energy: 2.506623367619989
Energy: 2.336935774989526
Energy: 2.5072695912543024
Energy: 2.4559893095609326
Energy: 2.2625795119635037
Energy: 2.5298882220967185
Energy: 2.5018537252385116
Energy: 2.5587494117672644
Energy: 2.4112868703753767
Energy: 2.3807460856349834
Energy: 2.3269438430876828
Energy: 2.53274052828373
Energy: 2.3870518023876377
Energy: 2.3199029145041554
Energy: 2.5130055540250025
Energy: 2.392291722065224
Energy: 2.3923957622650396
Energy: 2.485609274242397
Energy: 2.608241849985372
Energy: 2.393269389391475
Energy: 2.5140334706986955
Energy: 2.58027330954953
Energy: 2.483246453976563
Energy: 2.3770659822925744
Energy: 2.397617980377101
Energy: 2.5093637055508817
Energy: 2.350145385295056
Energy: 2.491625857349961
Energy: 2.225298596630932
Energy: 2.1280363233729815
Energy: 2.231007459029838
Energy: 2.2074422618470044
Energy: 2.1308398703818345
Energy: 2.2281379063473294
Energy: 2.195207885528299
Energy: 2.1140643898383757
Energy: 2.157490501711918
Energy: 2.167178718914909
Energy: 2.155288684264918
Energy: 2.142355398924397
Energy: 2.172436467538755
Energy: 2.203338807266017
Energy: 2.1833058870351945
Energy: 2.233722823690132
Energy: 2.222385191305791
Energy: 2.1641948950388
Energy: 2.0978670850262855
Energy: 2.2282715289632846
Energy: 2.2187984610866853
Energy: 2.227230345230926
Energy: 2.205264677586442
Energy: 2.3277399432411063
Energy: 2.2574427631608356
Energy: 2.1642676665784446
Energy: 2.3697188033271663
Energy: 2.264920511447157
Energy: 2.120995789381388
Energy: 2.2947713483066274
Energy: 2.776091001611347
Energy: 2.2425858972991786
Energy: 2.3280538295501443
Energy: 2.7611070421945247
Energy: 2.401863650272953
Energy: 2.18357496004202
Energy: 2.3826266060109904
Energy: 2.2993895915927034
Energy: 2.221844840369837
Energy: 2.2713414905690987
Energy: 2.5715663044279737
Energy: 2.1783936187799973
Energy: 2.066946797784044
Energy: 2.154031698805067
Energy: 2.760089483355891
Energy: 2.047926222774217
Energy: 2.0693863299856616
Energy: 2.5850045584114554
Energy: 2.171647784821367

minimum gb energy = 2.047926222774217 eV
minimum distance =  2.38108216981024 Angstroms
sigma value = 311


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

Energy: 2.518824206207325
Energy: 2.880301830452869
Energy: 2.8381798594356336
Energy: 2.5480331216730545
Energy: 2.5749915278621365
Energy: 2.985319059939967
Energy: 2.6494719503872393
Energy: 2.2718034234678393
Energy: 2.2139688970874656
Energy: 2.1764411813557643
Energy: 2.1806197311009856
Energy: 2.2305157243241673
Energy: 2.2206970006394577
Energy: 2.1983244295526325
Energy: 2.1570111896461617
Energy: 2.2063053672988926
Energy: 2.149854985882946
Energy: 2.111541888525835
Energy: 2.273910833884448
Energy: 2.3305688623516314
Energy: 2.3322086342288704
Energy: 2.25040940076509
Energy: 2.2593272053303637
Energy: 2.128867862987727
Energy: 2.2361292234503445
Energy: 2.2832845862023863
Energy: 2.2578783353834013
Energy: 2.3598183229660448
Energy: 2.0890587918021972
Energy: 2.3406875213528604
Energy: 2.275820677752657
Energy: 2.1186035763535016
Energy: 2.298080911319491
Energy: 2.3224972739168073
Energy: 2.283200952811843
Energy: 2.424018350456191
Energy: 2.460482232727342
Energy: 2.4000891461326206
Energy: 2.4207634188599068
Energy: 2.447910992468243
Energy: 2.4742668625098547
Energy: 2.458090531724093
Energy: 2.3841954426250633
Energy: 2.4042564168488973
Energy: 2.4399522861558918
Energy: 2.429816361796073
Energy: 2.383633244342689
Energy: 2.42701071035132
Energy: 2.4116190233470762
Energy: 2.298365253055991
Energy: 2.3318421354959074
Energy: 2.2624087345030923
Energy: 2.2255391696386893
Energy: 2.204824680871627
Energy: 2.2058501369878996
Energy: 2.283812707914433
Energy: 2.4163865624892487
Energy: 2.338478135665454
Energy: 2.3705860248004416
Energy: 2.2470211698321347
Energy: 2.2323734470106773
Energy: 2.2839605533850746
Energy: 2.2594397776847313
Energy: 2.4585438318824555
Energy: 2.5642402800535216
Energy: 2.4065669424711995
Energy: 2.5970526737455772
Energy: 2.36585122559194
Energy: 2.525948337306333
Energy: 2.523766716947708
Energy: 2.4331872012991616
Energy: 2.411443592267519
Energy: 2.265564218451495
Energy: 2.3544597796382067
Energy: 2.343640042109088
Energy: 2.208816499569526
Energy: 2.4648252450983676
Energy: 2.4942828715920338
Energy: 2.4471617065974325
Energy: 2.4650023230097458
Energy: 2.488746800767807
Energy: 2.4238450181863542
Energy: 2.4571548631893116
Energy: 2.5047591088004175
Energy: 2.4884791807713165
Energy: 2.5296023978802897
Energy: 2.4809669795448253
Energy: 2.4800264772737166
Energy: 2.4925598582309134
Energy: 2.444689985249454
Energy: 2.535360822726283
Energy: 2.2935621251523806
Energy: 2.233615861710954
Energy: 2.242352254087172
Energy: 2.3009828608520304
Energy: 2.3032969863743027
Energy: 2.2380315816056404
Energy: 2.282377837434598
Energy: 2.343835085911426
Energy: 2.282652510113987
Energy: 2.2773119632966456
Energy: 2.2775802655877166
Energy: 2.298479688652477
Energy: 2.2936292813677284
Energy: 2.2820201701096323
Energy: 2.236384479868151
Energy: 2.3470484770464495
Energy: 2.2759881541290516
Energy: 2.2398024429395313
Energy: 2.247762535142149
Energy: 2.3713787278977154
Energy: 2.290041535298508
Energy: 2.339796841092942
Energy: 2.356398084536107
Energy: 2.30649840660698
Energy: 2.3180107397450858
Energy: 2.347034449035929
Energy: 2.2919644810160134
Energy: 2.260193968554756
Energy: 2.4584678270121945
Energy: 2.518395929446062
Energy: 2.4241951375734616
Energy: 2.4536052838003344
Energy: 2.501978338623946
Energy: 2.446221915807842
Energy: 2.483231406216354
Energy: 2.4369745734691546
Energy: 2.4736242739155925
Energy: 2.3803331584286362
Energy: 2.4419183216902867
Energy: 2.4596295643448802
Energy: 2.413156954779938
Energy: 2.4010532137913954
Energy: 2.3605588959235493
Energy: 2.4393544437243877
Energy: 2.2523308179319126
Energy: 2.1943452610533103
Energy: 2.361338517246613
Energy: 2.2256506278438932
Energy: 2.2560506246708996
Energy: 2.4139603472245668
Energy: 2.6075841476406176
Energy: 2.442452442185421
Energy: 2.603444537155961
Energy: 2.3950487036679564
Energy: 2.5535210197187843
Energy: 2.4152942130524155
Energy: 2.4090625622693427
Energy: 2.2170702039794663
Energy: 2.4815976242291464
Energy: 2.2503832121359046
Energy: 2.220563831655607
Energy: 2.3004687975969276
Energy: 2.0564089706177437
Energy: 2.192023860095254
Energy: 2.281281091709945
Energy: 2.1907636851118326
Energy: 2.264104908440642
Energy: 2.0366909565045463
Energy: 2.1296336726857557
Energy: 2.0520311829833835
Energy: 2.3940306490736996
Energy: 2.3582755013938623
Energy: 2.3596897219835893
Energy: 2.4691809815425416
Energy: 2.4112325040755263
Energy: 2.336622672172873
Energy: 2.3808652477691847
Energy: 2.3496830364641377
Energy: 2.3578375949515626
Energy: 2.383777686005445
Energy: 2.5023868705922885
Energy: 2.4157134944927288
Energy: 2.335693674433912
Energy: 2.383515087832039
Energy: 2.085405244079802
Energy: 2.0622236373830622
Energy: 2.2574429883693243
Energy: 2.326000208583976
Energy: 2.064509297380981
Energy: 2.0835074257649904
Energy: 2.052170966466573
Energy: 2.158378131593266
Energy: 2.0156094217758818
Energy: 2.2744401193110613
Energy: 2.3629154806732
Energy: 2.0948954411816594
Energy: 2.2706454962172344
Energy: 2.1754882278978434
Energy: 2.1451831884748938
Energy: 2.1941007939971624
Energy: 2.2497293410678636
Energy: 2.375984123507052
Energy: 2.338904311194052
Energy: 2.2715859146466997
Energy: 2.2843061681885697
Energy: 2.3865811515298034
Energy: 2.412140274030088
Energy: 2.2588549921866705
Energy: 2.307947805570951
Energy: 2.281492619515452
Energy: 2.3403684697117324
Energy: 2.397053523382477
Energy: 2.3854346830375786
Energy: 2.396926489470547
Energy: 2.4922952049193485
Energy: 2.45701462844856
Energy: 2.399424837939074
Energy: 2.47281835337747
Energy: 2.4849363576394583
Energy: 2.383206313474915
Energy: 2.3980604153917744
Energy: 2.429755243592068
Energy: 2.467822141021765
Energy: 2.4013538556712706
Energy: 2.461484675069854
Energy: 2.4614694262043635
Energy: 2.3378354670406107
Energy: 2.2333522466922813
Energy: 2.1838416994080925
Energy: 2.3658969842325877
Energy: 2.3548356297126953
Energy: 2.4989196272122842
Energy: 2.4383526283296386
Energy: 2.495503768877261
Energy: 2.579845112282533
Energy: 2.666020682199407
Energy: 2.4409226454879596
Energy: 2.5522117498979644
Energy: 2.5848355809090666
Energy: 2.6818216500938075
Energy: 2.3248222545740487
Energy: 2.2800071911557445
Energy: 2.139268067798913
Energy: 2.0743047037148425
Energy: 2.4146908294442717
Energy: 2.4196570235169954
Energy: 2.500475463571513
Energy: 2.33367825289582
Energy: 2.353354424909476
Energy: 2.3615997756415696
Energy: 2.367488144235853
Energy: 2.4521958652891582
Energy: 2.5748284868676556
Energy: 2.597299802324529
Energy: 2.4647535567327035
Energy: 2.4168247800358382
Energy: 2.449536936641075
Energy: 2.488318371033408
Energy: 2.452089993077052
Energy: 2.5295758373332617
Energy: 2.518273668332794

minimum gb energy = 2.0156094217758818 eV
minimum distance =  2.39777240963515 Angstroms
sigma value = 39


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

Energy: 2.4501208187898604
Energy: 2.477123164367557
Energy: 2.5644170741091923
Energy: 2.4722525222209524
Energy: 2.449441020584305
Energy: 2.657936420093442
Energy: 2.4293595969773927
Energy: 2.375489148205774
Energy: 2.347573999474427
Energy: 2.2516670193905837
Energy: 2.3339630262715567
Energy: 2.2646135326302486
Energy: 2.182925337068869
Energy: 2.2944270234028137
Energy: 2.3340845796997383
Energy: 2.2855303553944823
Energy: 2.1040734715371996
Energy: 2.3512683448247467
Energy: 2.3789281345385005
Energy: 2.1305201415551958
Energy: 2.3283485144639635
Energy: 2.335050021485357
Energy: 1.9497154175564706
Energy: 2.2585489725171746
Energy: 2.2608470427658105
Energy: 2.1612140762059426
Energy: 1.9511735764269822
Energy: 2.227292677430095
Energy: 2.689710249215795
Energy: 2.220935711522413
Energy: 2.1603069995244106
Energy: 2.164088380244375
Energy: 2.1679715414863416
Energy: 2.124402675436817
Energy: 2.1631167078323164
Energy: 2.2828998231284308
Energy: 2.12040881585673
Energy: 2.111392514415281
Energy: 2.140034120785549
Energy: 2.1849015595803114
Energy: 2.0856048029624077
Energy: 2.101706849545889
Energy: 2.1869925549893767
Energy: 2.094600024072822
Energy: 2.1012456706684555
Energy: 2.2674541763483163
Energy: 2.2208825573972084
Energy: 2.10220591693677
Energy: 2.11252015963879
Energy: 2.2485045418047913
Energy: 2.3253880762072234
Energy: 2.196175390661158
Energy: 2.2551854506819455
Energy: 2.2769523779502805
Energy: 2.2969789303399817
Energy: 2.2524880751773466
Energy: 2.3566038822092814
Energy: 2.376908223005048
Energy: 2.547256023785341
Energy: 2.3358210682544174
Energy: 2.3440300810344548
Energy: 2.5508439804498946
Energy: 2.381825421960066
Energy: 2.356417636839687
Energy: 2.3733064184920547
Energy: 2.6628589890085714
Energy: 2.363834795812443
Energy: 2.35204860949818
Energy: 2.610028756255095
Energy: 2.321180057101536
Energy: 2.2975584246495617
Energy: 2.2629027710917713
Energy: 2.564773388529906
Energy: 2.260387381935643
Energy: 2.3106952305100172
Energy: 2.249998602465318
Energy: 2.366790969622549
Energy: 2.348301718847768
Energy: 2.2363091791624945
Energy: 2.191149711716724
Energy: 2.3600051586651967
Energy: 2.338196998123872
Energy: 2.148085139338672
Energy: 2.403939944759468
Energy: 2.489818265476913
Energy: 2.5389182026640222
Energy: 2.4977203874808036
Energy: 2.568439581074064
Energy: 2.564144292994248
Energy: 2.132040594938662
Energy: 2.5752588826016507
Energy: 2.3078648731852205
Energy: 2.357710821515377
Energy: 2.2674869392519974
Energy: 2.3860697949013883
Energy: 2.3866778518566365
Energy: 2.249568994211635
Energy: 2.272906319246337
Energy: 2.3215712340495362
Energy: 2.3803721690547106
Energy: 2.6526255669015577
Energy: 2.3121218132986923
Energy: 2.379073478363458
Energy: 2.580621088863637
Energy: 2.306218324678482
Energy: 2.4503442593027067
Energy: 2.4242045918135116
Energy: 2.4703750235887565
Energy: 2.425235434088218
Energy: 2.449234449061119
Energy: 2.5526632653831762
Energy: 2.4295216547802734
Energy: 2.326568565804473
Energy: 2.166003763965229
Energy: 2.251710016164378
Energy: 2.3497052353213923
Energy: 2.3333885707041016
Energy: 2.1834554955954713
Energy: 2.2933293366468694
Energy: 2.3343120795236683
Energy: 2.409278341485085
Energy: 2.103116522193973
Energy: 2.348895833729486
Energy: 2.379302728551273
Energy: 2.1314107130893962
Energy: 2.3412186605726695
Energy: 2.335742713034752
Energy: 1.949047088604372
Energy: 2.2473566773628133
Energy: 2.252309577431269
Energy: 2.1367204646937097
Energy: 1.9518777934045042
Energy: 2.228086794646291
Energy: 2.690646409083095
Energy: 2.1937710376646966
Energy: 2.147145405962559
Energy: 2.16407603095589
Energy: 2.168846249119892
Energy: 2.1151175563527977
Energy: 2.1621515151837
Energy: 2.1744691447205713
Energy: 2.153873089907885
Energy: 2.1113218770485442
Energy: 2.105823784693611
Energy: 2.181947919433167
Energy: 2.0844892407169477
Energy: 2.149008908087126
Energy: 2.186095102481424
Energy: 2.087071964279532
Energy: 2.0948407235762896
Energy: 2.269313355213877
Energy: 2.219807845624649
Energy: 2.102740510301259
Energy: 2.109285706372584
Energy: 2.2493840261250964
Energy: 2.298191233021839
Energy: 2.1875392731567143
Energy: 2.254894398292799
Energy: 2.2767108562819103
Energy: 2.2950705579175543
Energy: 2.2758320246906694
Energy: 2.358534335578933
Energy: 2.373138971684926
Energy: 2.6159368760961126
Energy: 2.3941217576170963
Energy: 2.3436523116618275
Energy: 2.5494252103782054
Energy: 2.384640721378427
Energy: 2.3584993662329206
Energy: 2.3478154993568205
Energy: 2.6738567423339386
Energy: 2.386531874082913
Energy: 2.367538415801604
Energy: 2.610445778759103
Energy: 2.3234997747406547
Energy: 2.2975006990244573
Energy: 2.305364268250788
Energy: 2.255115587459059
Energy: 2.2583642425978354
Energy: 2.3112495516174727
Energy: 2.249320462709256
Energy: 2.3721228508244585
Energy: 2.3519932977554707
Energy: 2.237358454589234
Energy: 2.19151697912107
Energy: 2.3461811317446872
Energy: 2.337309193737371
Energy: 2.1495777743268647
Energy: 2.547773325850236
Energy: 2.3732942964815553
Energy: 2.541388059163897
Energy: 2.50111039831518
Energy: 2.5848849368535634
Energy: 2.5622137547350317
Energy: 2.131755804490924
Energy: 2.507051181395487
Energy: 2.3074807231207735
Energy: 2.3567501378834237
Energy: 2.2641806250142804
Energy: 2.385423253458073
Energy: 2.3792120656994844
Energy: 2.248614459999396
Energy: 2.272737631341999
Energy: 2.322234966112201
Energy: 2.3678049349370585
Energy: 2.6526196746033435
Energy: 2.312284988981168
Energy: 2.379069794582357
Energy: 2.5821237343725874
Energy: 2.3059121905451248

minimum gb energy = 1.949047088604372 eV
minimum distance =  2.45360629572807 Angstroms
sigma value = 21


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

Energy: 2.856507911863431
Energy: 2.2101632815610777
Energy: 2.22328723263154
Energy: 2.272951640429884
Energy: 2.3526066414926037
Energy: 2.3879595951752846
Energy: 2.3996411543522727
Energy: 2.2190793649016873
Energy: 2.2625880391046134
Energy: 2.1420414634700355
Energy: 2.271206818182213
Energy: 2.2985693530654165
Energy: 2.200970132199297
Energy: 2.2697202011889184
Energy: 2.2094376531158817
Energy: 2.146971162133226
Energy: 2.2012721044515637
Energy: 2.2608461916713436
Energy: 2.1833859022056106
Energy: 2.19593775336387
Energy: 2.214014323070212
Energy: 2.293537885879932
Energy: 2.1321123135126054
Energy: 2.2045387852145653
Energy: 2.31486300744751
Energy: 2.1781605587783726
Energy: 2.1829977683999116
Energy: 2.065296988968824
Energy: 2.084776040891485
Energy: 2.107522684771804
Energy: 2.153140240253348
Energy: 2.0986562368128663
Energy: 2.097000994307833
Energy: 2.157752114024392
Energy: 2.1117583234840116
Energy: 2.0433261717521267
Energy: 2.0936050699168613
Energy: 2.0788104378906906
Energy: 2.1184887427184034
Energy: 2.174030589125782
Energy: 2.130726994646983
Energy: 2.104643812080336
Energy: 2.161312003613617
Energy: 2.182329833063487
Energy: 1.9805881669722292
Energy: 2.1208116220228472
Energy: 2.184632961816583
Energy: 2.071001360080066
Energy: 2.064815227332646
Energy: 2.093632892758915
Energy: 2.209803776790302
Energy: 2.068962330721607
Energy: 2.030719683191198
Energy: 2.1026037132837234
Energy: 2.1562614396137905
Energy: 2.0939365667522636
Energy: 1.9850219011271726
Energy: 2.041775798284386
Energy: 2.1115691948965614
Energy: 2.0321243507433837
Energy: 2.0182242270303017
Energy: 2.132998869377991
Energy: 2.065797658089708
Energy: 1.9289894869753257
Energy: 1.936344376595787
Energy: 2.0947031821318753
Energy: 1.966753247975009
Energy: 1.929921952663938
Energy: 2.118686730023339
Energy: 2.04011515871747
Energy: 2.0998688940773906
Energy: 2.0334972292708717
Energy: 2.040800535162397
Energy: 2.0381980680175187
Energy: 2.029432818914159
Energy: 2.0168234489999337
Energy: 2.049112993307599
Energy: 2.10254419512451
Energy: 2.03474473879419
Energy: 2.0479545727191195
Energy: 2.025004620559819
Energy: 2.0564752917221893
Energy: 2.0290070754859517
Energy: 2.038378881247502
Energy: 2.162542218916332
Energy: 1.9041719680201097
Energy: 1.9201280274876558
Energy: 2.0380543432404554
Energy: 2.0917053595185746
Energy: 1.87975837200427
Energy: 2.0127247149710215
Energy: 2.0137088621843025
Energy: 1.9932334157599236
Energy: 1.9137997271225768
Energy: 2.07201841693533
Energy: 2.2063350721588786
Energy: 1.8934636511510023
Energy: 1.9259173847829067
Energy: 2.0630236255291248
Energy: 2.0517303951828585
Energy: 2.022048396734482
Energy: 2.049592271495075
Energy: 2.0896900779677434
Energy: 2.0505022567055287
Energy: 2.005679560889754
Energy: 2.060802518699587
Energy: 2.1316545903734068
Energy: 2.155383132178437
Energy: 2.028124507270255
Energy: 2.0838404593432873
Energy: 2.1187526322401564
Energy: 2.0262169226580746
Energy: 2.0311555882909493
Energy: 2.116232331403614
Energy: 2.1002453706191186
Energy: 2.050450886329787
Energy: 2.088361168437738
Energy: 2.1352842183769556
Energy: 2.012731348804511
Energy: 2.0694998307964916
Energy: 2.14998446256576
Energy: 2.112024346745589
Energy: 2.1350133671267604
Energy: 2.080410531654652
Energy: 2.1139032397468838
Energy: 2.11130635988694
Energy: 2.1108870126612884
Energy: 2.1475027337493153
Energy: 2.200270860634486
Energy: 2.198346629626651
Energy: 2.0855567432046187
Energy: 2.1323050504583696
Energy: 2.1558785801898894
Energy: 2.1999791453802726
Energy: 2.152276624045275
Energy: 2.227704332256828
Energy: 2.1690236770380324
Energy: 2.2186964816676276
Energy: 2.082497929553943
Energy: 2.201167215132339
Energy: 2.1725820896086105
Energy: 2.1565085624766693
Energy: 2.189508152959592
Energy: 2.2506747863979775
Energy: 2.1571785826433234
Energy: 2.1228741993547096
Energy: 2.2435836089838914
Energy: 2.2116909963584703
Energy: 1.9806271569873992
Energy: 2.2771145914602355
Energy: 2.2735575488146935
Energy: 2.0626016741426745
Energy: 2.2197415935095535
Energy: 2.2908106180030523
Energy: 2.190790676490521
Energy: 2.0599953646891667
Energy: 2.281298147673063
Energy: 2.324963906021726
Energy: 2.1438131379387597
Energy: 2.0525384612412547
Energy: 2.344833231462386
Energy: 2.278201141334552
Energy: 2.154325938490667
Energy: 2.166033606504559
Energy: 2.2900020835640067
Energy: 2.1713389771883524
Energy: 2.123423624114574
Energy: 2.3007340170481
Energy: 2.2203623005752595
Energy: 2.2382989608328594
Energy: 2.3216962238220615
Energy: 2.250853886710921
Energy: 2.2730667635676247
Energy: 2.153484610375812
Energy: 2.2833898770009173

minimum gb energy = 1.87975837200427 eV
minimum distance =  2.45936704796841 Angstroms
sigma value = 113


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

Energy: 2.8281975293598824
Energy: 2.206965955330065
Energy: 1.987718731170409
Energy: 2.173430692032238
Energy: 2.1487735206367247
Energy: 1.9563042064777547
Energy: 2.1147696554161093
Energy: 1.7998425012449957
Energy: 1.9072871867538486
Energy: 1.9160054184533923
Energy: 1.8867652959024754
Energy: 1.9672499010950704
Energy: 1.9324184947954433
Energy: 1.9052537566830918
Energy: 1.8841172983360777
Energy: 1.8549642808240963
Energy: 1.7882275181601242
Energy: 1.9277494176884724
Energy: 1.9354950071529307
Energy: 1.9035497910741197
Energy: 1.8429513061384621
Energy: 1.7437886694627114
Energy: 1.7914613378174773
Energy: 1.8460709150925585
Energy: 1.7857272743657673
Energy: 1.8159098391101243
Energy: 1.7564108502569702
Energy: 1.9373828515707137
Energy: 1.7412180703111901
Energy: 1.754140141366435
Energy: 1.8070743697352154
Energy: 1.9344668742835174
Energy: 1.8022179392900703
Energy: 1.7239244664795386
Energy: 1.8600178446024587
Energy: 1.7337940542348715
Energy: 1.802037219271033
Energy: 1.7410534354041387
Energy: 1.8038249191676132
Energy: 1.7115385626681932
Energy: 1.7348759452393403
Energy: 1.8332685241461564
Energy: 1.685702674566254
Energy: 1.974475867393801
Energy: 1.771436224084821
Energy: 1.84247808554072
Energy: 1.8915075221974125
Energy: 1.8263401303974114
Energy: 1.8152443328165653
Energy: 1.7260829270758573
Energy: 1.9539426330660339
Energy: 1.8353377855008268
Energy: 1.8214735138137657
Energy: 1.876830414806185
Energy: 1.877621324888939
Energy: 1.7278966659192043
Energy: 1.677476754986449
Energy: 1.76285547659479
Energy: 1.6953848756654166
Energy: 1.752744204534282
Energy: 1.6830088941409238
Energy: 1.7761742153586044
Energy: 1.735598345474226
Energy: 1.626436275940486
Energy: 1.6855130922544619
Energy: 1.7892676856104268
Energy: 1.7783598494197232
Energy: 1.719586345530611
Energy: 1.827058429734865
Energy: 1.6735927774240693
Energy: 1.6705795655952933
Energy: 1.8092172316823776
Energy: 1.7388162648254748
Energy: 1.7203873483110925
Energy: 1.7273235236492126
Energy: 1.7970566416485545
Energy: 1.8200959234999485
Energy: 1.6387634338274424
Energy: 1.726249995687165
Energy: 1.6736145092357708
Energy: 1.704228000444907
Energy: 1.7904920605217487
Energy: 1.7221925201671369
Energy: 1.6975979415635256
Energy: 1.6892075354685896
Energy: 1.6264644269166029
Energy: 1.5898674294531363
Energy: 1.7178934471373786
Energy: 1.797603700715553
Energy: 1.6438706900637254
Energy: 1.5923881491978702
Energy: 1.7937458292634616
Energy: 1.6819510456996192
Energy: 1.6519715703446067
Energy: 1.7198023818277974
Energy: 1.8516838055209284
Energy: 1.6996789083233463
Energy: 1.6384457016329563
Energy: 1.6897325536420058
Energy: 1.6322704787312339
Energy: 1.6350320464315224
Energy: 1.7367607651871642
Energy: 1.6925137908106533
Energy: 1.718256614801541
Energy: 1.5947181005022135
Energy: 1.6452761481263147
Energy: 1.6338233319412394
Energy: 1.6803510700955608
Energy: 1.6393178854133827
Energy: 1.636540009994233
Energy: 1.6673046137727454
Energy: 1.616743769305621
Energy: 1.5721394461940523
Energy: 1.7182217456407836
Energy: 1.6791088925844886
Energy: 1.6967883640225319
Energy: 1.6450752230872046
Energy: 1.6784454154768418
Energy: 1.7075624145171495
Energy: 1.5720481498165986
Energy: 1.6272353588988238
Energy: 1.7285145728823936
Energy: 1.640522968512619
Energy: 1.7037143522777514
Energy: 1.671142443238768
Energy: 1.7117781098807754
Energy: 1.5573845322411117
Energy: 1.6353871505790252
Energy: 1.6923491662523225
Energy: 1.6310088918897545
Energy: 1.5876128136419674
Energy: 1.6507464078206577
Energy: 1.659297100636438
Energy: 1.564594937798569
Energy: 1.589319868894267
Energy: 1.760738236780009
Energy: 1.64727369433443
Energy: 1.6076451714852658
Energy: 1.7309971189735363
Energy: 1.6481754046944692
Energy: 1.62053720123643
Energy: 1.7031025027236286
Energy: 1.641456943249107
Energy: 1.6730172639355592
Energy: 1.6195273654941007
Energy: 1.6558993113770517
Energy: 1.6549730059859078
Energy: 1.6257250538752315
Energy: 1.6484215718238744
Energy: 1.6334983470369269
Energy: 1.6320793908221767
Energy: 1.7092612419511004
Energy: 1.645747255218703
Energy: 1.6372841076637674
Energy: 1.6341936379989155
Energy: 1.5778366047854169
Energy: 1.6082246349626816
Energy: 1.6307167049212214
Energy: 1.7297094408858609
Energy: 1.6000398345178735
Energy: 1.5644708360168782
Energy: 1.6504322911832725
Energy: 1.6434546132023857
Energy: 1.605230387380062
Energy: 1.6619222109429639
Energy: 1.7114472549282562
Energy: 1.677962931310227
Energy: 1.606363324788761
Energy: 1.691848341133803
Energy: 1.6258228869526477
Energy: 1.6220710748230385
Energy: 1.6604448218964645
Energy: 1.6778509089402431
Energy: 1.6657263855780995
Energy: 1.6166360213969686
Energy: 1.618251821250901
Energy: 1.6813190587900977
Energy: 1.6723481569508367
Energy: 1.6968913849785867
Energy: 1.716138160908812
Energy: 1.6643193647812364
Energy: 1.6393534536946164
Energy: 1.58714869640914
Energy: 1.6604539753126581
Energy: 1.6353186297382514
Energy: 1.6661736627562027
Energy: 1.6844660290705447
Energy: 1.667786943043683
Energy: 1.6172425042236505
Energy: 1.6133898369695312
Energy: 1.6788748389463202
Energy: 1.721215614291217
Energy: 1.6516077265047904
Energy: 1.6929824006574503
Energy: 1.6779174173216207
Energy: 1.7234644874874319
Energy: 1.5904302625037194
Energy: 1.6652136321872506
Energy: 1.8345867894584948
Energy: 1.7061881205408442
Energy: 1.6377362129169417
Energy: 1.7646109838983977
Energy: 1.7640231021082813
Energy: 1.6163740655549987
Energy: 1.6076528849690261
Energy: 1.7259658316504678
Energy: 1.6645578332968942
Energy: 1.6448261601817797
Energy: 1.7769403225595048
Energy: 1.690012495896376
Energy: 1.7377056362625842
Energy: 1.7034545772979823
Energy: 1.7624879026211786
Energy: 1.6877163321440751
Energy: 1.752510548481988
Energy: 1.7558617096673343
Energy: 1.7217200519039395
Energy: 1.707705278403403
Energy: 1.7249428423950848
Energy: 1.7335410885366267
Energy: 1.7783406870857192
Energy: 1.79866140841903
Energy: 1.7707748469437954
Energy: 1.7058502846331625
Energy: 1.6539649987296816
Energy: 1.6984728580460562
Energy: 1.6695626665043783
Energy: 1.7613751004061635
Energy: 1.8849198684088835
Energy: 1.7139705142041866
Energy: 1.6837354403524443
Energy: 1.7608970418368746
Energy: 1.7884991294293053
Energy: 1.7116653772934423
Energy: 1.7645931707441447
Energy: 1.8248012618958285
Energy: 1.7340177394505694
Energy: 1.714362735732416
Energy: 1.7545278025247422
Energy: 1.831153545075162
Energy: 1.6928506526928624
Energy: 1.7763370996665242
Energy: 1.842913569621966
Energy: 1.8146729404318493
Energy: 1.7131981664709712
Energy: 1.7058622135682866
Energy: 1.778859326781974
Energy: 1.6786187922119304
Energy: 1.762218093931042
Energy: 1.8871230539981483
Energy: 1.8386549170046826
Energy: 1.6994507455696282
Energy: 1.778212454169954
Energy: 1.752183737021052
Energy: 1.691671300440439
Energy: 1.7639275004275798
Energy: 1.7754606328520355
Energy: 1.7762461154025517
Energy: 1.714739051851121
Energy: 1.776318247123028
Energy: 1.7948741749068773
Energy: 1.8122591408770914
Energy: 1.8262399371241422
Energy: 1.8801843224486097
Energy: 1.8071355495884835
Energy: 1.895401879073584
Energy: 1.7730454197191492
Energy: 1.9444233733554328
Energy: 2.103688999395038
Energy: 1.996425993902037
Energy: 1.8333215493200556
Energy: 1.7729978059307159
Energy: 2.059032842848817
Energy: 1.8146417817238236
Energy: 1.8864332843615998
Energy: 1.8336400561761768
Energy: 1.918631215564898
Energy: 1.8956816061785409
Energy: 1.8692439799769396
Energy: 1.8902723211507388
Energy: 1.8070052046163
Energy: 1.7828973415542007
Energy: 1.8319969348633243
Energy: 1.951673149719283
Energy: 1.9139959509459439
Energy: 1.8653433289091366
Energy: 1.9693660019321215
Energy: 2.0773327509914297
Energy: 2.0579894943398633
Energy: 1.9677164951836459
Energy: 2.1705960241858056
Energy: 1.839685584517959
Energy: 2.0107324307142496
Energy: 2.045044145763759
Energy: 1.9288474384716419
Energy: 1.9263630984793847
Energy: 1.8821578216812336
Energy: 2.0003013448225766
Energy: 1.9684609853317894
Energy: 1.8953002573723217
Energy: 1.8716514075369144
Energy: 1.8072415219833307
Energy: 1.92720302299578
Energy: 1.7990763816429334
Energy: 1.8276085887966793
Energy: 1.945955552457235
Energy: 1.937926873864176
Energy: 1.9726026334476199
Energy: 1.841322098456953
Energy: 1.8984518080524155
Energy: 1.8328281532261796
Energy: 2.043737103482937
Energy: 2.0403706825563157
Energy: 1.758736190965012
Energy: 2.075263710133518

minimum gb energy = 1.5573845322411117 eV
minimum distance =  2.46044338487522 Angstroms
sigma value = 365


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

Energy: 2.026734121496695
Energy: 1.8215097939534566
Energy: 1.7721275981006541
Energy: 1.8622531587904427
Energy: 1.8591380017647885
Energy: 1.7675364207007962
Energy: 1.7741437383178742
Energy: 0.5865328114849383
Energy: 0.7272926450186036
Energy: 0.7773709125767896
Energy: 0.8156293336713877
Energy: 0.8173263342896585
Energy: 0.7696798313050545
Energy: 0.7605215863591601
Energy: 0.6034432335237877
Energy: 0.7258034023770018
Energy: 0.7880993371333727
Energy: 0.7892755436574379
Energy: 0.8167911744396014
Energy: 0.8169732797831868
Energy: 0.7663082512237323
Energy: 1.8223974279796613
Energy: 1.9692445620886054
Energy: 1.768471144280945
Energy: 1.851482552586348
Energy: 1.8179794013774124
Energy: 1.8808108224110738
Energy: 1.9068191557500003
Energy: 1.8244540001243492
Energy: 1.9148096743866059
Energy: 1.94698290155534
Energy: 1.943223523230096
Energy: 1.9829831757391179
Energy: 1.8866185954378891
Energy: 1.9598079683783791
Energy: 0.5954450694129553
Energy: 0.7419074739882642
Energy: 0.8171063117163327
Energy: 0.8174534296952058
Energy: 0.8171111052949036
Energy: 0.8166578879685803
Energy: 0.8173556826206018
Energy: 1.9399633045536295
Energy: 1.8288863127629045
Energy: 1.8810969759019505
Energy: 1.98556062587144
Energy: 1.9851832813722048
Energy: 1.8797741585053942
Energy: 1.9100479064240434
Energy: 1.908147248234566
Energy: 1.9393579702357453
Energy: 1.8830715991481912
Energy: 1.8602705130536898
Energy: 1.9766690495135566
Energy: 1.8720901547963114
Energy: 1.9106346786459691
Energy: 0.6061969147049803
Energy: 0.742139334298353
Energy: 0.8174861908791476
Energy: 0.751775422099945
Energy: 0.8172427047181506
Energy: 0.8174406391336448
Energy: 0.8160247487918804
Energy: 2.0068837325469513
Energy: 2.0065523867486514
Energy: 1.9468284719667839
Energy: 1.8847481236749617
Energy: 1.9388650920122132
Energy: 1.8859391782850068
Energy: 1.910319708269694
Energy: 1.8275355343111068
Energy: 1.872387021819753
Energy: 1.9056086441180402
Energy: 1.8629290068996227
Energy: 1.8245143518478772
Energy: 1.8514123459531577
Energy: 1.8406520100921617
Energy: 0.5945723552791272
Energy: 0.7182651338092019
Energy: 0.7655654710592575
Energy: 0.8172144326406621
Energy: 0.8560440974694129
Energy: 0.8152010358407843
Energy: 0.7653269828107728
Energy: 0.5948811383577581
Energy: 0.7600377784515469
Energy: 0.7751302863350747
Energy: 0.8162706671201959
Energy: 0.8172030689482004
Energy: 0.6790817993093818
Energy: 0.7271750771051877
Energy: 2.095097054143566
Energy: 1.871833425340248
Energy: 1.7674574035309838
Energy: 1.8496976374353347
Energy: 1.820047558286991
Energy: 1.9020136049739353
Energy: 1.9022349815595467
Energy: 1.9615708320672753
Energy: 1.9419866061525937
Energy: 1.9478402561769386
Energy: 0.7757722948793674
Energy: 0.8165339224215006
Energy: 0.7787781796933908
Energy: 1.961993273212794
Energy: 0.5915543258771597
Energy: 0.7595050280854572
Energy: 0.7878017490624601
Energy: 0.789136892137103
Energy: 0.8172852285696495
Energy: 0.787848377140565
Energy: 0.7269449203116263
Energy: 1.8365262641063331
Energy: 1.9706705188255556
Energy: 1.8289883189623213
Energy: 1.8194633976192949
Energy: 1.9259866699200308
Energy: 1.8820054829759585
Energy: 1.908203301683994
Energy: 1.8318007663985705
Energy: 1.909604584207
Energy: 1.9592445490268378
Energy: 1.925971958875822
Energy: 1.980821640397079
Energy: 1.8895964118763993
Energy: 1.9590488974020566
Energy: 0.5917558793039315
Energy: 0.7411416652465598
Energy: 0.8217949645722255
Energy: 0.8165968260045562
Energy: 0.817098609183936
Energy: 0.8177184491235706
Energy: 0.8276769637991168
Energy: 1.8221965962093973
Energy: 1.8228989818541421
Energy: 1.8839983999384822
Energy: 1.9228467091239099
Energy: 1.9831517200837527
Energy: 1.818594921688416
Energy: 1.9099478082961967

minimum gb energy = 0.5865328114849383 eV
minimum distance =  2.57747180870735 Angstroms
sigma value = 23