Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.051526293158533
cohesive_energy=3.3624417440272794
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.09114492093046e-19, 2.64508147036962e-19, 3.1174351856055e-19, 3.47369518194174e-19, 3.7496701071482396e-19, 3.9774836027366994e-19, 4.1717154760765195e-19, 4.340296501506e-19, 4.489571298495779e-19, 4.62498726760146e-19, 4.747778084831219e-19, 4.85584489879452e-19, 4.9487230782675e-19, 5.0286716923041e-19, 5.09827024528506e-19, 5.15921704444242e-19, 5.212393286924879e-19, 5.258295647488979e-19, 5.29714843086348e-19, 5.329127876478119e-19, 5.35425000609924e-19, 5.372322558530759e-19, 5.383201337875619e-19, 5.386806235302119e-19, 5.38289692431516e-19, 5.370399946569959e-19, 5.34833797431978e-19, 5.316006049845659e-19, 5.272731258961319e-19, 5.21731196919126e-19, 5.14748911148154e-19, 5.05944950544324e-19, 4.94761757639004e-19, 4.80459126827286e-19, 4.6211580654462e-19, 4.38855406172208e-19, 4.1034947950007995e-19, 3.77302984247196e-19, 3.4066440898088396e-19, 2.98764285648516e-19, 2.45112196705758e-19, 1.6979227096478399e-19, 6.189560816001479e-20, -9.373790745478439e-20, -3.2946839866249197e-19, -6.92185166833752e-19, -1.270292152973436e-18, -2.4670636245658796e-18, -5.06683553972598e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -9.23201098901316e-12 eV

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

Energy: 0.012643890940066242
Energy: 0.5105950619112695
Energy: 0.3594242275504727
Energy: 0.77720618396912
Energy: 0.738780708967222
Energy: 0.26002867123123147
Energy: 0.013181607156917699
Energy: 0.10511456913685163
Energy: 0.6172618378923412
Energy: 0.20438947212916994
Energy: 0.35832812686568744
Energy: 0.5115877461119273
Energy: 0.013393970212843387
Energy: 0.10478876690379528
Energy: 0.013235460375773419
Energy: 0.6149217458003848
Energy: 0.2855033793240188
Energy: 0.3587879296715877
Energy: 0.5124571592514104
Energy: 0.10501879055612327
Energy: 0.10628956612218889
Energy: 0.014940490645743803
Energy: 0.510263301017263
Energy: 0.35905817793520256
Energy: 0.7780661544337829
Energy: 0.6165918969997708
Energy: 0.10552548568941793
Energy: 0.013286729620372
Energy: 0.10603125252462638
Energy: 0.7344929572488758
Energy: 0.204247397088832
Energy: 0.3582799548034075
Energy: 0.5107427514580649
Energy: 0.013214205860440534
Energy: 0.10517139663773956
Energy: 0.012904680280768282
Energy: 0.6159263463925493
Energy: 0.3624872029927224
Energy: 0.35847980144810737
Energy: 0.6503939255751007
Energy: 0.10479776145803404
Energy: 0.1063827427736908

minimum gb energy = 0.012643890940066242 eV
minimum distance =  2.8403246035108 Angstroms
sigma value = 5


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

Energy: 0.9280971786349498
Energy: 0.8614271690464362
Energy: 0.9382896265173691
Energy: 0.8844457303795665
Energy: 0.9197193262069443
Energy: 0.9178339478553257
Energy: 0.8559076026501156
Energy: 0.8163987795232658
Energy: 0.9336893263666852
Energy: 0.8071722400418427
Energy: 0.815343978001692
Energy: 0.8194137607447284
Energy: 0.8150615444337032
Energy: 0.8542953359262644
Energy: 0.9105616463153517
Energy: 0.88250607386767
Energy: 0.8860557632502485
Energy: 0.8637556781448141
Energy: 0.8870078094248697
Energy: 0.8602015124291282
Energy: 0.9400370767869572
Energy: 0.8201272409521987
Energy: 0.848757703491245
Energy: 0.830016840935033
Energy: 0.8426972699571307
Energy: 0.913893036209126
Energy: 0.8246540705020392
Energy: 0.8981373647926207
Energy: 0.9334272778326437
Energy: 0.8407803239772708
Energy: 0.8692265758303516
Energy: 0.8580317121701558
Energy: 0.9064524258109563
Energy: 0.8552286838440469
Energy: 0.864279508588958
Energy: 0.8086796516479313
Energy: 0.8915549407349058
Energy: 0.8614246970312809
Energy: 0.8227388066827952
Energy: 0.8928165614017637
Energy: 0.862102324272289
Energy: 0.9129240174271256
Energy: 0.8620646818857346
Energy: 0.8473326975856066
Energy: 0.8801391624305587
Energy: 0.8492583568098429
Energy: 0.8521473503006247
Energy: 0.8646485261089923
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Energy: 0.8537995240987751
Energy: 0.8779607623983281
Energy: 0.8814445965774151
Energy: 0.8966568209769608
Energy: 0.8121063546814717
Energy: 0.8168974783720994
Energy: 0.8907877033876699
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Energy: 0.8695658511859742
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Energy: 0.8611700977443251
Energy: 0.8926270022749884
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Energy: 0.9030720363775314
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Energy: 0.9240257718141528
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Energy: 0.8586109038650116
Energy: 0.9063491986194042
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Energy: 0.8581255924082223
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Energy: 0.9578359881561099
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Energy: 0.903521026016842
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Energy: 0.8687959267782862
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Energy: 0.8669757688093864
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Energy: 0.8845482379690214
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Energy: 0.8169986081005121
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Energy: 0.8130129863889449
Energy: 0.8193028838857097
Energy: 0.9173577261517623
Energy: 0.8235994571953968
Energy: 0.8232527687233825
Energy: 0.8861003588334281
Energy: 0.8998777815912149
Energy: 0.9300458770274463
Energy: 0.9180525874958619
Energy: 0.8471758089820076
Energy: 0.8695361465223542
Energy: 0.9002715004564423
Energy: 0.8781867717426544
Energy: 0.8526814173321416
Energy: 0.8545621076621738
Energy: 0.8332703018625985
Energy: 0.8401288878598643
Energy: 0.8859490252291207
Energy: 0.8249859646280917
Energy: 0.9377769066926365
Energy: 0.8485957589872106
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Energy: 0.8690061009137026
Energy: 0.8579730509047525
Energy: 0.8594954203924822
Energy: 0.8594547983887195
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Energy: 0.8940848101651554
Energy: 0.8684650962453925
Energy: 0.8136568468761091
Energy: 0.8686356938639698
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Energy: 0.8423129287406304
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Energy: 0.8473767195072468
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Energy: 0.8202778318120395
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Energy: 0.9850295333345498
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Energy: 0.9145120527861292
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Energy: 0.8820035612520809
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Energy: 0.8174413749098064
Energy: 0.8302794950658282
Energy: 0.8774639536416565
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Energy: 0.8709984368084174
Energy: 0.8604538593386327
Energy: 0.9911471859338103
Energy: 0.958941858932946
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Energy: 0.8707824922374621
Energy: 0.9589057013108041
Energy: 0.9146142529221505
Energy: 0.8220893100778627
Energy: 0.8625255424853726
Energy: 0.918264501275041
Energy: 0.8804891596444497
Energy: 0.8568933241502553
Energy: 0.8633344082733557
Energy: 0.893900734569918
Energy: 0.8558445757468854
Energy: 0.869342974138419
Energy: 0.8813253614940489
Energy: 0.8358601208333504
Energy: 0.8350915882325705
Energy: 0.9198715100242175
Energy: 0.9731891374135946
Energy: 0.9057825364158034
Energy: 0.846143512576379
Energy: 0.8934196878665854
Energy: 0.8128933272947757
Energy: 0.8047844809061282
Energy: 0.8600539180543075
Energy: 0.824954917767728
Energy: 0.8750615730987953
Energy: 0.9234451278236604
Energy: 0.904957024146656
Energy: 0.9012442439912027
Energy: 0.8831476447371951
Energy: 0.886838355669791
Energy: 0.927138559208446
Energy: 0.9207000247734768
Energy: 0.8436669653475147
Energy: 0.8652959415300463
Energy: 0.8080219459128034
Energy: 0.8210846755013029
Energy: 0.925573409827558
Energy: 0.86940646610412
Energy: 0.8763677656665714
Energy: 0.9843800173385585
Energy: 0.8733155108256976
Energy: 0.8463428091930879
Energy: 0.9609805708801129
Energy: 0.8539260239482497
Energy: 0.8527379366360418
Energy: 0.8326926100089883
Energy: 0.8373276759337747
Energy: 0.8683646146071367
Energy: 0.8723699381992772
Energy: 0.8409482735471697
Energy: 0.8716822710790624
Energy: 0.837788365674915
Energy: 0.8651704818720414
Energy: 0.8995206269245303
Energy: 0.8650749063004948
Energy: 0.8863620825159836
Energy: 0.9813789706073827
Energy: 0.8213244626858806
Energy: 0.896367103050352
Energy: 0.8618266302174027

minimum gb energy = 0.7994902165035768 eV
minimum distance =  2.60271171547731 Angstroms
sigma value = 401


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

Energy: 0.9043232213053783
Energy: 0.8478929932150789
Energy: 0.8852224788941874
Energy: 0.8280826340094668
Energy: 0.9174586014663206
Energy: 0.8721387201500932
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Energy: 0.8885794130012215
Energy: 0.9481049311801204
Energy: 0.9524921419354185
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Energy: 0.8208260785606823
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Energy: 0.8355978385607893
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Energy: 0.9538394176651231
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Energy: 0.8928034862876821
Energy: 0.8463911491294538
Energy: 0.8872339293595711
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Energy: 0.8363482018272965
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Energy: 0.8347445684483114
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Energy: 0.8324010053851771
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Energy: 0.8303458418271246
Energy: 0.8552739660009286
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Energy: 0.9259746132634603
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Energy: 0.8439055581669536
Energy: 0.831107066650925
Energy: 0.8922495759450586
Energy: 0.9166272769625025
Energy: 0.8567493682195325
Energy: 0.8223083725110558
Energy: 0.8469435491063136
Energy: 0.8362305883889374
Energy: 0.8354355874231537
Energy: 0.935570671986195
Energy: 0.964472808671108
Energy: 0.9499927256126025
Energy: 0.8391600630913103
Energy: 0.8492531497062433
Energy: 0.8281107085337495
Energy: 0.8361214962331213
Energy: 0.9495934842424427
Energy: 0.8733640813820526
Energy: 0.8864426516945851
Energy: 0.8834478695010628
Energy: 0.8499993618229623
Energy: 0.8720599767195822
Energy: 0.9221461949934137
Energy: 0.8784473966903212
Energy: 0.8484302155682077
Energy: 0.8946506281104278
Energy: 0.8541367977946345
Energy: 0.8574630732875682
Energy: 0.8324809059468692
Energy: 0.8403741764791515
Energy: 0.8510151692227594
Energy: 0.8316014512169471
Energy: 0.8333077016327531
Energy: 0.8692672773159775
Energy: 0.8205871614920486
Energy: 0.8180660290032845
Energy: 0.8574773794749255
Energy: 0.8279564741096395
Energy: 0.8478899278958619
Energy: 0.8456600676761421
Energy: 0.8733898932590028
Energy: 0.8245220936877623
Energy: 0.822153656000262
Energy: 0.854710869820762
Energy: 0.8336583044315281
Energy: 0.836759695637429
Energy: 0.8298748990467087
Energy: 0.8566369793008541
Energy: 0.8505479924856939
Energy: 0.8571336252876858
Energy: 0.8933324525516728
Energy: 0.8402639612780834
Energy: 0.8728298842268948
Energy: 0.9100540740232441
Energy: 0.900007938628759
Energy: 0.8612583577994389
Energy: 0.8626878203612356
Energy: 0.9323423813996166
Energy: 0.945128979021519
Energy: 0.8396513799905088
Energy: 0.8423518124306024
Energy: 0.8652507192651823
Energy: 0.8521134771170937
Energy: 0.8596837353656672
Energy: 0.8314229871306653
Energy: 0.9479954174631221
Energy: 0.9527762194150856
Energy: 0.8673424307736034
Energy: 0.8387941613081673
Energy: 0.8922106291243083
Energy: 0.8378764911056017
Energy: 0.8434946259137978
Energy: 0.8843738382790585
Energy: 0.8381786295864941
Energy: 0.8607207938824162
Energy: 0.8294587012518692
Energy: 0.8561049806413815
Energy: 0.8370304423998326
Energy: 0.8310112793885994
Energy: 0.9463812996657327
Energy: 0.9339016018407952
Energy: 0.9018825226362503
Energy: 0.8188074399095452
Energy: 0.8494535263665325
Energy: 0.8697563798333429
Energy: 0.9117629059670154
Energy: 0.9227676106150517
Energy: 0.8637437654209602
Energy: 0.8613123664740268
Energy: 0.823824184799249
Energy: 0.8234496695229612
Energy: 0.8828693766161976
Energy: 0.9226450811246888
Energy: 0.8689010304652209
Energy: 0.831440394987399
Energy: 0.878805504336484
Energy: 0.8561341659360376
Energy: 0.8747318490915782
Energy: 0.8540505031778908
Energy: 0.8583641332649569
Energy: 0.8717205595579239
Energy: 0.8393313176911986
Energy: 0.8483240203333526
Energy: 0.8663996706873494
Energy: 0.857298365242778
Energy: 0.8261479451401006
Energy: 0.875609420587087
Energy: 0.8454153962382651

minimum gb energy = 0.8060437106908422 eV
minimum distance =  2.60023121957645 Angstroms
sigma value = 311


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

Energy: 0.8817136347151862
Energy: 0.9085485370891004
Energy: 0.934871896550622
Energy: 0.854241137681021
Energy: 0.8924610511808074
Energy: 0.869312658623868
Energy: 0.8859535958439713
Energy: 0.8644930652701338
Energy: 0.8700934025822664
Energy: 0.8726507544826673
Energy: 0.9036605755805006
Energy: 0.8867410008671458
Energy: 0.8712143558298862
Energy: 0.8779765044722481
Energy: 0.857499708895341
Energy: 0.8581781448313437
Energy: 0.8563876076472605
Energy: 0.8458908554823839
Energy: 0.8819588424093977
Energy: 0.8561374258258645
Energy: 0.8707557050570408
Energy: 0.8412146633684828
Energy: 0.9068678548738198
Energy: 0.8414480980173813
Energy: 0.948916327792002
Energy: 0.8902245411662556
Energy: 0.8412672045599309
Energy: 0.8997514867891392
Energy: 0.8677926411167166
Energy: 0.890269226877614
Energy: 0.8758942648941236
Energy: 0.8671108900564862
Energy: 0.8807882966240189
Energy: 0.8893952106350687
Energy: 0.8707935499367564
Energy: 0.8525194228990464
Energy: 0.8855145102616683
Energy: 0.8735721913832482
Energy: 0.8641024311213572
Energy: 0.8744341506667992
Energy: 0.841644182374282
Energy: 0.8758675398245426
Energy: 0.9284769565431663
Energy: 0.8528331242802168
Energy: 0.8909877448228786
Energy: 0.8575574071244824
Energy: 0.8722068680521173
Energy: 0.8741237329161592
Energy: 0.9225355143742061
Energy: 0.858855871384201
Energy: 0.8778329729523029
Energy: 0.8780741533001376
Energy: 0.8923283314779091
Energy: 0.9489450902854563
Energy: 0.8801230692836131
Energy: 0.8740308521990522
Energy: 0.8556873012836553
Energy: 0.8583293230302032
Energy: 0.8567947978220332
Energy: 0.8727514695815234
Energy: 0.8775931082931224
Energy: 0.8622025717861628
Energy: 0.8656385556785249
Energy: 0.8745248398915441
Energy: 0.9297733917976305
Energy: 0.8716462363888594
Energy: 0.9393882951775604
Energy: 0.8948020694221159
Energy: 0.8312983870269216
Energy: 0.897512685315472
Energy: 0.8828978564325407
Energy: 0.9001743833330772
Energy: 0.8750336462989597
Energy: 0.9937903688401
Energy: 0.8812589484957296
Energy: 0.8416049868042782
Energy: 0.8744868346720437
Energy: 0.8446443497045761
Energy: 0.9167961249163494
Energy: 0.8595236396954701
Energy: 0.8457011553048702
Energy: 0.8711549626280378
Energy: 0.8559088852874621
Energy: 0.8940974162651604
Energy: 0.9166489086179831
Energy: 0.861270482065086
Energy: 0.8549244576725485
Energy: 0.8506401403682118
Energy: 0.9173643874427895
Energy: 0.8527781514046858
Energy: 0.8902849959894826
Energy: 0.8985600499792368
Energy: 0.9060930937646396
Energy: 0.8640800557366496
Energy: 0.8897319940973056
Energy: 0.9445478737582764
Energy: 0.9027946225422656
Energy: 0.8771826735441659
Energy: 0.8793217777789919
Energy: 0.8818407586413121
Energy: 0.8538678831916862
Energy: 0.8525332826892195
Energy: 0.9255990834272884
Energy: 0.8471094965242905
Energy: 0.8637084397150432
Energy: 0.8593202462062909
Energy: 0.9467452126321335
Energy: 0.8323439251159023
Energy: 0.9009993458070082
Energy: 0.9072367356770731
Energy: 0.854535359804885
Energy: 0.8576912839412009
Energy: 0.881840413167732
Energy: 0.8446352793211824
Energy: 0.9137896409685373
Energy: 0.8684168479941259
Energy: 0.8919058595527757
Energy: 0.8914714270854781
Energy: 0.8856735080067311
Energy: 0.8465880085214528
Energy: 0.9310329286250749
Energy: 0.876162508992204
Energy: 0.885912420415111
Energy: 0.9064761928881971
Energy: 0.8667963485541006
Energy: 0.9005214811792269
Energy: 0.9035098123687584
Energy: 0.8510382063082915
Energy: 0.9255733694715517
Energy: 0.849758143245245
Energy: 0.9282504467441546
Energy: 0.8508290873835165
Energy: 0.8678543024680658
Energy: 0.9055883510165219
Energy: 0.908933062360132
Energy: 0.9314412962872778
Energy: 0.9141358152480891
Energy: 0.9271641219053994
Energy: 0.8914439661309522
Energy: 0.9804131660064382
Energy: 0.870513947736144
Energy: 0.8875559309705932
Energy: 0.8633396057660759
Energy: 0.8626108410167284
Energy: 0.945165119872398
Energy: 0.8612573390586538
Energy: 0.8693065914942177
Energy: 0.847829714916172
Energy: 0.9304897908372619
Energy: 0.8639295399734791
Energy: 0.8450886610252003
Energy: 0.8860691904941961
Energy: 0.835754708319645
Energy: 0.8689205007068297
Energy: 0.887906295997137
Energy: 0.9122039775821228
Energy: 0.8866011728999618
Energy: 0.9132901935603414
Energy: 0.8825043197239993
Energy: 0.8834582867198535
Energy: 0.8978732063930006
Energy: 0.84390301839078
Energy: 0.9178144792844712
Energy: 0.8634022565623604
Energy: 0.882866085945274
Energy: 0.862069547456371
Energy: 0.8589600886098206
Energy: 0.884377052555422
Energy: 0.9067119127251467
Energy: 0.8609671923324749
Energy: 0.9008909547861017
Energy: 0.8583101220111816
Energy: 0.8697339369481647
Energy: 0.8775798679287866
Energy: 0.8916799270558082
Energy: 0.9047179680043528
Energy: 0.8779306045337144
Energy: 0.8674652952285582
Energy: 0.9044691569693176
Energy: 0.9437700978992188
Energy: 0.8502336776854733
Energy: 0.9499783394819117
Energy: 0.870305580443859
Energy: 0.8606116066900501
Energy: 0.8718608539511673
Energy: 0.874946402483052
Energy: 0.9381746417429351
Energy: 0.8709191627887919
Energy: 0.8746091655389251
Energy: 0.8483451618192445
Energy: 0.8980143075671058
Energy: 0.8824536672985334
Energy: 0.8738768657073821
Energy: 0.8741004342931104
Energy: 0.839276453187323
Energy: 0.8927498395662754
Energy: 0.8825039614010708
Energy: 0.8891571535806199
Energy: 0.878027384359255
Energy: 0.8470971423073419
Energy: 0.8906268073540368
Energy: 0.9212073384490529
Energy: 0.8996800582734129
Energy: 0.8478416583323899
Energy: 0.9193861799298763
Energy: 0.8812465396316624
Energy: 0.9290969868294027
Energy: 0.8876104292071944
Energy: 0.8409167180819175
Energy: 0.895413837263523
Energy: 0.8650653926894252
Energy: 0.8692141780414433
Energy: 0.9083851319698142
Energy: 0.8692929803966446
Energy: 0.8834089640939441
Energy: 0.8492044125462648
Energy: 0.925538355534642
Energy: 0.8762539374558141
Energy: 0.86890465151731
Energy: 0.8628049821250776
Energy: 0.9083019553308324
Energy: 0.9288975033744539
Energy: 0.8732259233473931
Energy: 0.9057088735044401
Energy: 0.8557316131562613
Energy: 0.8500218748032488
Energy: 0.8652823212884936
Energy: 0.886406091368278
Energy: 0.8887599556557969
Energy: 0.8404838019907298
Energy: 0.9053868827267777
Energy: 0.8538216620134594
Energy: 0.8849618147418948
Energy: 0.8756809560887716
Energy: 0.8589321018545217
Energy: 0.8818258209517171
Energy: 0.8692428550514372
Energy: 0.8753131857219336
Energy: 0.8768835472695456
Energy: 0.8849755823078629
Energy: 0.8844205194111897
Energy: 0.9125412434811416
Energy: 0.8875325951301392
Energy: 0.851939749335272
Energy: 0.9088738538884674
Energy: 0.8795567303274807
Energy: 0.9184686459135407
Energy: 0.8655493584308732
Energy: 0.9148777152254285
Energy: 0.8833284924468302
Energy: 0.8437716389636045
Energy: 0.8743780854160107

minimum gb energy = 0.8312983870269216 eV
minimum distance =  2.56877645710626 Angstroms
sigma value = 39


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

Energy: 0.8198178357196593
Energy: 1.0119192779878734
Energy: 0.9089044751952193
Energy: 0.9787406362008493
Energy: 0.9001269932816128
Energy: 0.8982764548944647
Energy: 0.7970405766508776
Energy: 0.8505823865592143
Energy: 0.877579503551889
Energy: 0.8979123480592007
Energy: 0.886631656139991
Energy: 0.8459386458768634
Energy: 0.8512986888379203
Energy: 0.8863648440909416
Energy: 0.8500241832714157
Energy: 0.8461317797185156
Energy: 0.8982620538508284
Energy: 0.8602335035539528
Energy: 0.84689548796424
Energy: 0.8555391390827599
Energy: 0.8566828721665263
Energy: 0.8427674662771558
Energy: 0.8565311942483098
Energy: 0.8987689791936627
Energy: 0.8535794303992306
Energy: 0.8749037633675295
Energy: 0.9028044354352275
Energy: 0.8499828262574407
Energy: 0.8513635759641937
Energy: 0.8464828022576051
Energy: 0.8634361995667069
Energy: 0.881260071941234
Energy: 0.8626284042419954
Energy: 0.8665048494824213
Energy: 0.8563488105139699
Energy: 0.7956726952015095
Energy: 0.8457492619890709
Energy: 0.8677202805176163
Energy: 0.8526516515730245
Energy: 0.8779480735228664
Energy: 0.8522522935827287
Energy: 0.8873102044644682
Energy: 0.8794165801985533
Energy: 0.8892095923644675
Energy: 0.8622457404482815
Energy: 0.8758928782337025
Energy: 0.7965001150195626
Energy: 0.7968584540888944
Energy: 0.8609866306625734
Energy: 0.7957674671177495
Energy: 0.8770375261885116
Energy: 1.0351580311626951
Energy: 0.8543680868958325
Energy: 0.9107698872537776
Energy: 0.8633455413613903
Energy: 0.8507067636329712
Energy: 0.7957843164267576
Energy: 0.8784928626925282
Energy: 0.8612795144036302
Energy: 0.8448420038570329
Energy: 0.8456961289877757
Energy: 0.8678168482498463
Energy: 0.8505032246850369
Energy: 0.8793043891315449
Energy: 0.9038444675816732
Energy: 0.9037479463697712
Energy: 0.8614334100034293
Energy: 0.8469383347864472
Energy: 0.8527838544843478
Energy: 0.8558366655299209
Energy: 0.843183098150123
Energy: 0.852345727911463
Energy: 0.9056644800782032
Energy: 0.8459205983952129
Energy: 0.8459252162226945
Energy: 0.8754422388190063
Energy: 0.9106913508011123
Energy: 0.8738808286341362
Energy: 0.8464756111691422
Energy: 0.8453192508225561
Energy: 0.8530884953757382
Energy: 0.8745106703031805
Energy: 0.8670178527388535
Energy: 0.8495052370914277
Energy: 0.7971013721345154
Energy: 0.8473851703539315
Energy: 0.9141648331661327
Energy: 0.866858990237685
Energy: 0.8985546915985626
Energy: 0.9081197754729152
Energy: 0.8563242753191765
Energy: 0.8813236856105793
Energy: 0.8452254150651142
Energy: 0.8772997147234548
Energy: 0.8610967241319007
Energy: 0.7966655609413812
Energy: 0.796397896362289
Energy: 0.8864655447633852
Energy: 0.7954130452070167
Energy: 0.8873456774028559
Energy: 0.8613197726404889
Energy: 0.864832013635889
Energy: 0.7965868843136954
Energy: 0.7958484788492735
Energy: 0.8864978801184746
Energy: 0.7958135948460204
Energy: 0.8666745117378467
Energy: 0.9299767922823853
Energy: 0.883089591989607
Energy: 0.8981647816584846
Energy: 0.9005327144434886
Energy: 0.796217393158584
Energy: 0.8505780435876026
Energy: 0.8774500788171403
Energy: 0.8983194072088648
Energy: 0.8863244055554508
Energy: 0.846179781520812
Energy: 0.8512934084563574
Energy: 0.8862127572571992
Energy: 0.8505904720574188
Energy: 0.8637600270110471
Energy: 0.9017168725513108
Energy: 0.8602392180888538
Energy: 0.8468877732888821
Energy: 0.8564644638933777
Energy: 0.8569794986679965
Energy: 0.8423863715840267
Energy: 0.856883984415525
Energy: 0.8979265366549146
Energy: 0.8535463730806888
Energy: 0.8877729749872822
Energy: 0.903024500681487
Energy: 0.8501811906955355
Energy: 0.8519614131325105
Energy: 0.8465833392062524
Energy: 0.8621748000231799
Energy: 0.8809684010869177
Energy: 0.8848891052544049
Energy: 0.8659512710069682
Energy: 0.8563931818649404
Energy: 0.7956678215312978
Energy: 0.8456582362365895
Energy: 0.8675836925328392
Energy: 0.8524476238355361
Energy: 0.8776704054556398
Energy: 0.7959583688491825
Energy: 0.8883483055041131
Energy: 0.8795356606298984
Energy: 0.8895757909421005
Energy: 0.8625672030376282
Energy: 0.8758999121441856
Energy: 0.7962733789884852
Energy: 0.7966801398682896
Energy: 0.886093181605682
Energy: 0.7958770559689406
Energy: 0.877075135839866
Energy: 0.8833263076972513
Energy: 0.845485277676183
Energy: 0.911397644884415
Energy: 0.9064686109461154
Energy: 0.8501389266922424
Energy: 0.7956468392003689
Energy: 0.8785036954503702
Energy: 0.8619143051645948
Energy: 0.8445425048710151
Energy: 0.8457942940984492
Energy: 0.8615747068777029
Energy: 0.850509151810899
Energy: 0.8795107915463811
Energy: 0.8943140661290829
Energy: 0.9041482804089984
Energy: 0.8612754126484189
Energy: 0.8468159788524962
Energy: 0.852925904322944
Energy: 0.8555773890632395
Energy: 0.8424954833290987
Energy: 0.8526067110659691
Energy: 0.9060904605017011
Energy: 0.8458517915849874
Energy: 0.8458077812033467
Energy: 0.8691420088782716
Energy: 0.9084015952047121
Energy: 0.8741499755708391
Energy: 0.8465698870199554
Energy: 0.8457818042907204
Energy: 0.8521269751715307
Energy: 0.8743559991207034
Energy: 0.8670963133371666
Energy: 0.8495837277447809
Energy: 0.7975357096021612
Energy: 0.846930357678128
Energy: 0.9140128191320054
Energy: 0.8666753267475712
Energy: 0.8986271134144527
Energy: 0.907946833928207
Energy: 0.8512595687189972
Energy: 0.8818862340474537
Energy: 0.8455723991564714
Energy: 0.8773825360602973
Energy: 0.8612613044538571
Energy: 0.7966926913031253
Energy: 0.7964111737309749
Energy: 0.8863750167876602
Energy: 0.7955222481616969
Energy: 0.8872924792464593
Energy: 0.8614234913236667
Energy: 0.8454056088004595
Energy: 0.7966133130765134
Energy: 0.7957842088267879
Energy: 0.8865885029662119

minimum gb energy = 0.7954130452070167 eV
minimum distance =  2.67365300676596 Angstroms
sigma value = 21


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

Energy: 1.0739025618106661
Energy: 0.8690982241160217
Energy: 0.9183519199289926
Energy: 1.1177261029289445
Energy: 0.8731952156213112
Energy: 0.8932440471948158
Energy: 0.8499538618378879
Energy: 0.8866554301994553
Energy: 0.8757570506989837
Energy: 0.881994541407993
Energy: 0.8661069873312364
Energy: 0.9091070244105676
Energy: 0.9456378274275273
Energy: 0.9579824016865404
Energy: 0.8694192098122633
Energy: 0.8641299440760387
Energy: 0.8774662374564441
Energy: 0.8440898440763477
Energy: 0.9024238454638938
Energy: 0.8589140786665049
Energy: 0.9190023581775415
Energy: 0.8311886906704646
Energy: 0.952631773221893
Energy: 0.9167734326703206
Energy: 0.8717813215878223
Energy: 0.8790990712635973
Energy: 0.8941967553534625
Energy: 0.895347269711847
Energy: 0.8541020491691178
Energy: 0.8523650571521392
Energy: 0.8539586697887859
Energy: 0.850702094988883
Energy: 0.8455470390932838
Energy: 0.861642795784362
Energy: 0.8951926931362747
Energy: 0.8321087388659285
Energy: 0.8530179746971639
Energy: 0.8750316167193212
Energy: 0.8784344024754469
Energy: 0.8645982481148837
Energy: 0.857542098284106
Energy: 0.885808040611655
Energy: 0.8608962134440705
Energy: 0.8690249247842906
Energy: 0.8423178712237605
Energy: 0.8696440577574391
Energy: 0.831067469991065
Energy: 0.8698934819833497
Energy: 0.8714150800072161
Energy: 0.8461571761070453
Energy: 0.8620186349338019
Energy: 0.8773443906521933
Energy: 0.894593011717911
Energy: 0.9001101818918447
Energy: 0.8895626004254605
Energy: 0.884587944609984
Energy: 0.8463089487922197
Energy: 0.8740153679348622
Energy: 0.8957826290332295
Energy: 0.8862111091795456
Energy: 0.9846850291783282
Energy: 0.9519053360571278
Energy: 0.8475076224466509
Energy: 0.8032706694548969
Energy: 0.9339830675516969
Energy: 0.8400032162346031
Energy: 0.9717837256697907
Energy: 0.8686167512456288
Energy: 0.8941147000733771
Energy: 0.8593899380101009
Energy: 0.8648857673623354
Energy: 0.9003627013191957
Energy: 0.8503359680306447
Energy: 0.8985749911893371
Energy: 0.8298308921410253
Energy: 0.8574592887200805
Energy: 0.8771695836293101
Energy: 0.8578375864067087
Energy: 0.8779907827605757
Energy: 0.9006554910197873
Energy: 0.8468830141969136
Energy: 0.8868667846065246
Energy: 0.8455562114900488
Energy: 0.8776630920505514
Energy: 0.7976663282229871
Energy: 0.8659529764908337
Energy: 0.9131081316381954
Energy: 0.9557919995702889
Energy: 0.9270847856041453
Energy: 0.8851151318034346
Energy: 0.8796717749181157
Energy: 0.7979263675858599
Energy: 0.8760921574193253
Energy: 0.8628256446077107
Energy: 0.8990020577208357
Energy: 0.8968598232405252
Energy: 0.9199248747362139
Energy: 0.8764364891528752
Energy: 0.8573768775843408
Energy: 0.8747419508485178
Energy: 0.8435381331046797
Energy: 0.843795552874904
Energy: 0.8538927758987461
Energy: 0.961028221812882
Energy: 0.879137939515304
Energy: 0.8967336773126195
Energy: 0.8890519200790057
Energy: 0.84118508035194
Energy: 0.8695916565720467
Energy: 0.9121099923554495
Energy: 0.9152592069321837
Energy: 0.8931832478572422
Energy: 0.8038510570281886
Energy: 0.8813905015097718
Energy: 0.8327498854153924
Energy: 0.834302613598474
Energy: 0.8462786624674165
Energy: 0.84308835179482
Energy: 0.8947953523704304
Energy: 0.8336371507641676
Energy: 0.7993197458508317
Energy: 0.8625561157899977
Energy: 0.885931814113499
Energy: 0.9107219386414891
Energy: 0.8742971821587683
Energy: 0.8047707360931337
Energy: 0.8143089588762132
Energy: 0.8669207747600544
Energy: 0.8442415417703379
Energy: 0.8779508201027594
Energy: 0.8179170160580909
Energy: 0.8508742155108768
Energy: 0.8708597414911902
Energy: 0.8476240523065774
Energy: 0.8646347325815525
Energy: 0.8736817153228812
Energy: 0.9046553196396477
Energy: 0.8911561152443866
Energy: 0.8623317834339121
Energy: 0.8771900497987198
Energy: 0.8461478526385197
Energy: 0.8554563066336248
Energy: 0.8863120662444689
Energy: 0.8410618042924567
Energy: 0.9833733373190011
Energy: 0.9608283156136544
Energy: 0.9384973777551187
Energy: 0.8501641622069416
Energy: 0.9327805233908866
Energy: 0.8690355383619408
Energy: 0.8942220320205344
Energy: 0.8346343822920395
Energy: 0.8435345578019803
Energy: 0.8594643379079089
Energy: 0.8677484589375651
Energy: 0.9283390819107261
Energy: 0.8668804761011797
Energy: 0.9782192486432285
Energy: 0.8584671785109202
Energy: 0.9148531468876419
Energy: 0.8617575899804591
Energy: 0.847470911779707
Energy: 0.8772415558852337
Energy: 0.8975987342537902
Energy: 0.8453773616221547
Energy: 0.8682687951061329
Energy: 0.8832721428509915
Energy: 0.9328416160440006
Energy: 0.8166706481949007
Energy: 0.8639702382926926
Energy: 0.9434088284868754
Energy: 0.9012338760425737
Energy: 0.8531494891403889
Energy: 0.865488202797537
Energy: 0.8663449315236397

minimum gb energy = 0.7976663282229871 eV
minimum distance =  2.63888166244553 Angstroms
sigma value = 113


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

Energy: 0.9660871643943648
Energy: 1.1284761680764999
Energy: 1.0573653661468987
Energy: 1.074371105782613
Energy: 1.0185463290393868
Energy: 0.9934986676852495
Energy: 1.096268552079637
Energy: 0.8612242293856031
Energy: 1.075264581152132
Energy: 0.9268072265648231
Energy: 1.0126404268883524
Energy: 0.9578398703851899
Energy: 0.8190643123422399
Energy: 0.9288162205057395
Energy: 0.9411375425667275
Energy: 1.006154634331087
Energy: 0.9365956026196224
Energy: 1.0628259725401117
Energy: 1.0232864308823546
Energy: 1.0057015691590798
Energy: 0.9783295195352603
Energy: 0.9657639993686389
Energy: 1.0449379742048752
Energy: 0.9895162824790281
Energy: 1.0384325505222551
Energy: 1.020067322151358
Energy: 1.0002997381285628
Energy: 1.0823726305292656
Energy: 0.9216042473075581
Energy: 1.0301081469914792
Energy: 0.9655568167885518
Energy: 1.027796700421679
Energy: 0.978033701489715
Energy: 0.9609577044724287
Energy: 1.025912602033736
Energy: 0.8979013431760258
Energy: 0.930063811637745
Energy: 0.9126395493508052
Energy: 0.93881674387063
Energy: 0.9390371545345622
Energy: 0.9084134948859787
Energy: 0.9776298027578441
Energy: 0.922510816250229
Energy: 0.9535063738037546
Energy: 0.9018011194442884
Energy: 0.9380056730232399
Energy: 0.9797615451774981
Energy: 0.9609905736370138
Energy: 0.99476339837379
Energy: 0.9052532410110246
Energy: 0.9255080897781747
Energy: 0.8969244501249747
Energy: 1.0588415942545022
Energy: 0.8306134960431475
Energy: 0.9256845856903442
Energy: 0.9103619706956511
Energy: 0.823270840813651
Energy: 0.9106663707057951
Energy: 0.9104064185695669
Energy: 0.9186267589326667
Energy: 0.9528526306536658
Energy: 0.8966834964816637
Energy: 0.9290029671183044
Energy: 0.9721049983282322
Energy: 0.8962791820450242
Energy: 0.8991317872486713
Energy: 0.8925486014300149
Energy: 0.8640920469308763
Energy: 0.8763804675881411
Energy: 0.9715407509313103
Energy: 0.8808613333701427
Energy: 0.8952603106164375
Energy: 0.8371308914509811
Energy: 0.9097561369241745
Energy: 0.8827717730008101
Energy: 0.8592039170352231
Energy: 0.9750168785694303
Energy: 0.8403952800294888
Energy: 0.8563192287043248
Energy: 1.0060794252005172
Energy: 0.8684044684440053
Energy: 0.9676738378239529
Energy: 0.978805928002575
Energy: 0.8740439179053056
Energy: 0.9135294463401215
Energy: 0.8982878811270374
Energy: 0.8510438457968317
Energy: 1.0010557207151713
Energy: 0.9865279156723871
Energy: 0.8912983006317343
Energy: 0.9060970916741712
Energy: 0.9408876602486
Energy: 0.9379291055059069
Energy: 0.9107831828537605
Energy: 0.9160725429719453
Energy: 0.8970967909983284
Energy: 0.901561747118997
Energy: 0.9352629879638078
Energy: 0.8546836898228397
Energy: 0.9766551809989491
Energy: 0.951266636952076
Energy: 0.9128310217220812
Energy: 0.9027618373955256
Energy: 0.9915274167746614
Energy: 0.9795459313228395
Energy: 0.8176156730433394
Energy: 0.9873496152949964
Energy: 0.9493417551354953
Energy: 0.9832536485814665
Energy: 1.0057790359924272
Energy: 1.0010946669482335
Energy: 1.0137158460003157
Energy: 0.9154093404635264
Energy: 0.9951707502355056
Energy: 0.9596280299468073
Energy: 0.9956948167620517
Energy: 1.0191317217970668
Energy: 1.0072945296346327
Energy: 0.9805761861305595
Energy: 0.9065316731581694
Energy: 1.004946302074626
Energy: 0.9580118051643964
Energy: 1.014878097824126
Energy: 0.9725746291788276
Energy: 1.0030750138867837
Energy: 1.022454465298583
Energy: 0.9978092086336674
Energy: 1.068375355816411
Energy: 1.0197998292702775
Energy: 1.0077209662036615
Energy: 1.0122969254550847
Energy: 0.950654651616561
Energy: 1.0402369056015348
Energy: 0.9904301351946584
Energy: 1.0299576001610093
Energy: 1.016047225388876
Energy: 1.0945427211885648
Energy: 1.0220491641212845
Energy: 0.9911210751399494
Energy: 0.997176383024989
Energy: 1.0423122822160726
Energy: 0.9910400029554286
Energy: 0.8978920094828384
Energy: 1.0058365042645252
Energy: 0.9729188741304652
Energy: 0.826516148196431
Energy: 0.9271873207723108
Energy: 0.9537374162674592
Energy: 1.0756168634014796
Energy: 0.9803466679503542
Energy: 0.9349619473140384
Energy: 0.9391522771348391
Energy: 0.8270434420341284
Energy: 0.9231082459450555
Energy: 0.8771574048145274
Energy: 0.9719009390371919
Energy: 1.0572359649486365
Energy: 1.0690290236247575
Energy: 1.0440506623936696
Energy: 0.9903582161733114
Energy: 1.0339680760153336
Energy: 0.8279339857529882
Energy: 1.07660377914542
Energy: 0.9192941719757883
Energy: 0.9493139043411059
Energy: 1.0274147113943302
Energy: 0.8153077254997397
Energy: 1.0019238046713959
Energy: 0.9074060624345427
Energy: 1.0346234928019316
Energy: 1.018667677111169
Energy: 1.0639656466539484
Energy: 0.9742471902572591
Energy: 0.984601374025047
Energy: 0.9793369897628993
Energy: 0.9707704462717853
Energy: 1.0091609841656355
Energy: 0.9901360457926677
Energy: 0.9909949831994874
Energy: 0.9892815722587757
Energy: 0.9900288187998166
Energy: 1.015157131409992
Energy: 0.8271358005602897
Energy: 1.0296971777104438
Energy: 0.9651122284679503
Energy: 1.0186244205138761
Energy: 0.9678090983697862
Energy: 0.9652678088756962
Energy: 1.02584151791857
Energy: 0.8969192787756644
Energy: 0.9293061237712404
Energy: 0.9118683656507538
Energy: 0.9769997263246532
Energy: 0.9209780226765975
Energy: 0.9082677674978465
Energy: 1.0276923641171598
Energy: 0.9214180288767142
Energy: 0.9547973969695087
Energy: 0.9015939614917485
Energy: 0.9916037675625994
Energy: 0.9815957323930676
Energy: 0.9514649636025908
Energy: 0.995978711352185
Energy: 0.904039458662996
Energy: 0.9243306353165802
Energy: 0.8510784240262507
Energy: 1.0573342086958013
Energy: 0.9819932088241372
Energy: 0.8944128690075163
Energy: 0.9316789292290666
Energy: 0.8245665288149504
Energy: 0.9110855100412506
Energy: 0.9072191315290673
Energy: 0.9180919763520974
Energy: 0.9502495245295131
Energy: 1.0087839838946115
Energy: 0.9284948704552677
Energy: 0.9144980040583186
Energy: 0.8480895151653669
Energy: 0.8719329578516183
Energy: 0.8932195246938329
Energy: 0.8771729383568211
Energy: 0.8674952223370166
Energy: 0.9182942733835218
Energy: 0.9886025283198031
Energy: 0.8952002176965969
Energy: 0.8850009925531062
Energy: 0.9073061100525484
Energy: 0.8386997828858102
Energy: 0.9136170087031062
Energy: 0.9762902068265233
Energy: 0.8222295455608474
Energy: 0.8551835087184704
Energy: 0.8958399993637937
Energy: 0.8884399053686501
Energy: 0.999458800726676
Energy: 0.9785147688241602
Energy: 0.9083362521856447
Energy: 0.9117319888959451
Energy: 0.89760965203253
Energy: 0.8508945637503762
Energy: 1.003519643693077
Energy: 0.9881480708744035
Energy: 0.8954930783502026
Energy: 0.9068874087393942
Energy: 0.9376156284706303
Energy: 0.9379088179096743
Energy: 0.8693647864282504
Energy: 0.96101753943216
Energy: 0.8946013922673238
Energy: 1.028215837750726
Energy: 0.9352880284986228
Energy: 0.855106764130647
Energy: 0.9293216435160437
Energy: 0.9031832632515624
Energy: 0.9114634016465522
Energy: 0.8607987682010276
Energy: 0.9241705942103378
Energy: 0.9390591586518667
Energy: 0.8176332728295045
Energy: 0.9438932446490842
Energy: 0.9022001444936103
Energy: 0.9692062500450862
Energy: 0.9381465362724863
Energy: 0.9627731897461601
Energy: 1.0104345195169557
Energy: 0.9186315644546424
Energy: 0.9978424462459823
Energy: 0.9451221616923184
Energy: 0.9956293722785579
Energy: 1.0089160304985427
Energy: 0.9506101815049695
Energy: 0.9784150401208607
Energy: 0.908102512643046
Energy: 1.0081535104901203
Energy: 0.9573713424968675
Energy: 1.0164861132884622
Energy: 1.022331193176161
Energy: 1.0065238500345313
Energy: 1.0219093610165664
Energy: 0.9335912258288244
Energy: 1.066318310323696
Energy: 0.9732645491894216
Energy: 1.0077291516730411
Energy: 1.061206250690115
Energy: 0.8861314481512853
Energy: 1.039787549438413
Energy: 0.9920926590805603
Energy: 1.1035110031682882
Energy: 1.0140889840908192
Energy: 1.078692618442759
Energy: 1.0203230051980126
Energy: 0.9906015888963353
Energy: 0.9558045147176247
Energy: 0.9924094426594641
Energy: 0.9908249060339371
Energy: 0.9159613397383961
Energy: 1.0095706515478626
Energy: 0.9384343437946884
Energy: 0.8259309280153327
Energy: 0.9279306118026464
Energy: 0.9853371557885415
Energy: 1.075175841205518
Energy: 1.0170031669020547
Energy: 0.9861202821284506
Energy: 0.9723165084548102
Energy: 0.8891886667101276
Energy: 1.0990620032927494
Energy: 0.8323150800040158
Energy: 0.970943503610871
Energy: 0.9619400820296816
Energy: 0.9291142635184264
Energy: 1.0507542297747166
Energy: 0.9913970509490594
Energy: 1.0365690372211187

minimum gb energy = 0.8153077254997397 eV
minimum distance =  2.55358635066228 Angstroms
sigma value = 365


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

Energy: 0.9242971250751377
Energy: 1.1152552280598889
Energy: 0.912106773818401
Energy: 0.9138012787404656
Energy: 0.9144150199579502
Energy: 0.9122286122368949
Energy: 0.916758621558322
Energy: 0.9059984554029378
Energy: 1.109768519561177
Energy: 0.9044434741092588
Energy: 0.8971885145543111
Energy: 0.8982039559601295
Energy: 0.9059708949485493
Energy: 1.093951053312723
Energy: 0.906727121112879
Energy: 1.1135013550359405
Energy: 0.9015238806723291
Energy: 0.9125530249975717
Energy: 0.896475131807138
Energy: 0.9015646715222733
Energy: 0.9169647599639673
Energy: 0.9078469151992817
Energy: 1.127111450914345
Energy: 0.901810100082857
Energy: 0.9117247607961304
Energy: 0.9116494274558604
Energy: 0.90207060068257
Energy: 0.9179105165210055
Energy: 0.9246134727842322
Energy: 1.0970063566312471
Energy: 0.892167628051826
Energy: 1.1052343115687697
Energy: 0.902931478209162
Energy: 0.8928125068740288
Energy: 1.1020419365448408
Energy: 0.9022539307995137
Energy: 1.1288643232765472
Energy: 0.9002194537545722
Energy: 0.9134204986472684
Energy: 0.91600809841673
Energy: 0.8968714580917113
Energy: 0.9157809463185047
Energy: 0.9048543217943622
Energy: 1.1078528945572172
Energy: 0.9036929639049825
Energy: 0.8966075129955521
Energy: 0.8952268642245428
Energy: 0.9045681374130689
Energy: 1.1114402511323647
Energy: 0.9071618307572453
Energy: 1.11009869491358
Energy: 0.9026725614227743
Energy: 0.8970582247640969
Energy: 0.8956750658676957
Energy: 0.9028519971075073
Energy: 1.110155617126346
Energy: 0.9097129625970061
Energy: 1.1282782706248056
Energy: 0.8995444994598236
Energy: 0.9157697604122638
Energy: 0.9134136976096203
Energy: 0.9004188540020748
Energy: 0.915565220172118
Energy: 0.9237608710506162
Energy: 1.1051455350406119
Energy: 0.8911511272797091
Energy: 1.0992489576187554
Energy: 1.1011903093107434
Energy: 0.8932300113393604
Energy: 1.1036531693470335
Energy: 0.9091281062007901
Energy: 1.1288079582423352
Energy: 0.8998983470344284
Energy: 0.914441457101389
Energy: 0.9112972711800332
Energy: 0.8993241119631822
Energy: 0.9158050723483703
Energy: 0.9071619862047233
Energy: 1.1128858697005886
Energy: 0.9020637018644179
Energy: 0.8959189098281982
Energy: 0.8947011198771403
Energy: 0.9022023707460507
Energy: 1.112795463894451
Energy: 0.90539272083449
Energy: 1.1100105598009276
Energy: 0.9043064802078224
Energy: 0.897263945861986
Energy: 0.8962640258374827
Energy: 0.9051055418615126
Energy: 1.1119135943277485
Energy: 0.9033107133142676
Energy: 1.1293113236190062
Energy: 0.8975090021193826
Energy: 0.9139539792200765
Energy: 0.9151683921064521
Energy: 0.8966407071958127
Energy: 0.9162343101698789
Energy: 0.9247532400333391
Energy: 1.1086551135194151
Energy: 0.8909428159950311
Energy: 0.9013405687040814
Energy: 0.8987794436810621
Energy: 0.903222852066929
Energy: 1.097604656248175
Energy: 0.9072886676573253
Energy: 1.1280442466534097
Energy: 0.901575666670561
Energy: 0.9114980127496781
Energy: 0.8963191320921046
Energy: 0.901605325702689
Energy: 0.9159834324770612
Energy: 0.9069038100280269
Energy: 1.1154474556883707
Energy: 0.9017293302704824
Energy: 0.9121382858094672
Energy: 0.896027083039996
Energy: 0.9018497404289768
Energy: 0.913829654823076
Energy: 0.9248503805714726
Energy: 1.1089743912762273
Energy: 0.9052556244697011
Energy: 0.8990088392108758
Energy: 0.8983658083846996
Energy: 0.902474306399269
Energy: 1.0953007046764829
Energy: 0.9047835241442269
Energy: 1.1284436850796846
Energy: 0.8949231206661545
Energy: 0.913905188779278
Energy: 0.9152327733083758
Energy: 0.91389968525554
Energy: 0.9157898081778844
Energy: 0.9054153514952089
Energy: 1.1102643728915156
Energy: 0.9042519845161504
Energy: 0.8964804199630488
Energy: 0.8969626183093172
Energy: 0.9056925746106923
Energy: 1.1128605166932315

minimum gb energy = 0.8909428159950311 eV
minimum distance =  2.61913734313736 Angstroms
sigma value = 23