Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.24243287157552
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01643362269851097
Energy: 0.017088066368788724
Energy: 1.1234124256497302
Energy: 0.017088066368788724
Energy: 0.017088066368788724
Energy: 1.2128752789616097
Energy: 0.017088066368788724
Energy: 1.2128752789622383
Energy: 1.1234124256497302
Energy: 0.017088066368788724
Energy: 0.01643362269851097
Energy: 0.017088066368788724
Energy: 0.017088066368788724
Energy: 1.2128752789616097
Energy: 0.017088066368788724
Energy: 1.2128752789622383

minimum gb energy = 0.01643362269851097 eV
minimum distance =  2.48771668223466 Angstroms
sigma value = 1


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

Energy: 0.9933523321719707
Energy: 1.0976103835229631
Energy: 0.8633970492306033
Energy: 1.0976103835229631
Energy: 0.9569251288293282
Energy: 1.0880557813437184
Energy: 0.956940210595572
Energy: 1.0880557813414313
Energy: 0.9005138218593072
Energy: 1.0848146900195288
Energy: 0.947603223754611
Energy: 1.0848146900195288
Energy: 0.9371862230825245
Energy: 1.1063035055684938
Energy: 0.9477894380760469
Energy: 1.1063035055684938
Energy: 0.9418633524107525
Energy: 1.1006060241086648
Energy: 0.9465595577237008
Energy: 1.1006060241086648
Energy: 0.8945430311413424
Energy: 1.2905143393700522
Energy: 0.9269258366325299
Energy: 1.2905143393700522
Energy: 0.9599022147641852
Energy: 1.0857918830661686
Energy: 0.8964217551932272
Energy: 1.085791883065406
Energy: 0.8170856041273001
Energy: 1.0988305957015285
Energy: 0.916693329743743
Energy: 1.0988305957015285
Energy: 0.9495691964537042
Energy: 0.9531634089059783
Energy: 0.9537643190025604
Energy: 0.9531634089067407
Energy: 0.9289977123398822
Energy: 1.0850952793416262
Energy: 0.801785083853651
Energy: 1.0850952793408641
Energy: 0.9517992902060162
Energy: 1.0447293116247705
Energy: 0.9475322970843502
Energy: 1.0447293116247705
Energy: 0.9001498919701093
Energy: 1.0987102953153374
Energy: 0.9434053380697918
Energy: 1.0987102953153374
Energy: 0.9564998679065724
Energy: 1.0844081835254213
Energy: 0.9591236386512973
Energy: 1.0844081835246588
Energy: 0.9587483780286997
Energy: 1.0922336733720972
Energy: 0.943055879065971
Energy: 1.0922336733713347
Energy: 0.9394238223516287
Energy: 1.0983396858182823
Energy: 0.9487358514064078
Energy: 1.09833968581752
Energy: 0.9495846026370866
Energy: 1.0976317373067148
Energy: 0.9483682770706535
Energy: 1.0976317373067148
Energy: 0.9478063721778328
Energy: 1.0847759386601952
Energy: 0.874704232296891
Energy: 1.0847759386601952
Energy: 0.9568560017059153
Energy: 1.0840221300102184
Energy: 0.9564509848474081
Energy: 1.0840221300094561
Energy: 0.8576047301361187
Energy: 1.0992470622090442
Energy: 0.9479281225323049
Energy: 1.0992470622090442
Energy: 0.9616797401967665
Energy: 0.9526176155392299
Energy: 0.949410224668408
Energy: 0.9526176155399922
Energy: 0.9261546952312841
Energy: 1.0846587004056554
Energy: 0.8010471598612139
Energy: 1.0846587004064177
Energy: 0.9480211320992663
Energy: 1.1065127684803793
Energy: 0.9406245814085964
Energy: 1.1065127684796168
Energy: 0.948651507568666
Energy: 1.1008817647752973
Energy: 0.8797339702451523
Energy: 1.1008817647752973
Energy: 0.9351009191923374
Energy: 1.0845223866788145
Energy: 0.8955737919541098
Energy: 1.0845223866788145
Energy: 0.8964912461297806
Energy: 1.293941458747201
Energy: 0.9595664575031619
Energy: 1.2939414587479634
Energy: 0.9377230623990301
Energy: 1.0991400134180853
Energy: 0.8806162243207571
Energy: 1.0991400134180853
Energy: 0.9392425465113813
Energy: 1.0888436938133823
Energy: 0.9473162765172539
Energy: 1.08884369381262
Energy: 0.8701677360697408
Energy: 1.0839368142943504
Energy: 0.9486481860033757
Energy: 1.0839368142935881
Energy: 0.954319452938957
Energy: 1.0947349128908126
Energy: 0.9517157812765663
Energy: 1.0947349128908126
Energy: 0.9625710009785254
Energy: 1.098344452955123
Energy: 0.9001461735154695
Energy: 1.098344452955123
Energy: 0.9602827105877108
Energy: 1.090856621729496
Energy: 0.9548818800889652
Energy: 1.090856621729496
Energy: 0.9403107243806129
Energy: 1.085771177401081
Energy: 0.958778507176625
Energy: 1.0857711774018435
Energy: 0.9410814340195753
Energy: 1.1065151166603622
Energy: 0.9500983779830753
Energy: 1.1065151166611245

minimum gb energy = 0.8010471598612139 eV
minimum distance =  2.28503844193862 Angstroms
sigma value = 1


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

Energy: 1.063779311491186
Energy: 1.184054566121807
Energy: 0.9600854186953417
Energy: 1.184054566123545
Energy: 1.0096251631329733
Energy: 1.121522876409116
Energy: 1.011053140233515
Energy: 1.1215228764099852
Energy: 0.927890472710316
Energy: 1.183025226678455
Energy: 1.0055680213063485
Energy: 1.183025226678455
Energy: 1.003954324385934
Energy: 1.1035731803888316
Energy: 0.9530490830705529
Energy: 1.1035731803897006
Energy: 1.0035844562273086
Energy: 1.161082060545253
Energy: 1.0106908032060604
Energy: 1.1610820605461223
Energy: 0.9890453446584682
Energy: 1.1610800672300672
Energy: 0.9761070182751489
Energy: 1.1610800672326747
Energy: 1.0094014463160694
Energy: 1.014405669330312
Energy: 0.9804152555252582
Energy: 1.0144056693329195
Energy: 0.8538848403561657
Energy: 1.1833673899085404
Energy: 0.959692307237051
Energy: 1.1833673899120174
Energy: 1.0037991528907788
Energy: 1.0255094431028065
Energy: 1.0154855049842104
Energy: 1.0255094431001988
Energy: 1.0066093832662535
Energy: 1.1833357156777506
Energy: 0.8690906661857328
Energy: 1.1833357156768816
Energy: 1.0091077841481222
Energy: 1.1048059700152681
Energy: 1.0198539312902062
Energy: 1.104805970014399
Energy: 0.9305061838803664
Energy: 1.1720989905682915
Energy: 1.0142606587646206
Energy: 1.1720989905700296
Energy: 1.0212052923775494
Energy: 1.1615683730740274
Energy: 1.0030776202301064
Energy: 1.1615683730757655
Energy: 1.0223044098688807
Energy: 1.1615546618324568
Energy: 0.9741453323950865
Energy: 1.1615546618298491
Energy: 0.9303986762723598
Energy: 1.1719430931735322
Energy: 1.0048836026860692
Energy: 1.1719430931717938
Energy: 1.0092223440996
Energy: 1.1049525892990415
Energy: 1.0115502020492664
Energy: 1.1049525892999106
Energy: 1.0069566191534305
Energy: 1.1835940669510778
Energy: 0.8819539930020259
Energy: 1.1835940669484704
Energy: 1.0037463478888926
Energy: 1.025569754770892
Energy: 1.0156644225824925
Energy: 1.0255697547700229
Energy: 0.8536535243350186
Energy: 1.183521349268731
Energy: 0.9600434590363702
Energy: 1.1835213492669927
Energy: 1.009185190090605
Energy: 1.1055747925209305
Energy: 0.9528569254515816
Energy: 1.105574792518323
Energy: 0.9889220613462979
Energy: 1.161340779994198
Energy: 0.96559366827605
Energy: 1.1613407799933289
Energy: 1.0035792927124594
Energy: 1.161057130053925
Energy: 1.0064347164948408
Energy: 1.1610571300565327
Energy: 1.002903936706238
Energy: 1.1034623577911238
Energy: 0.9446018010990428
Energy: 1.1034623577919929
Energy: 0.927828883499973
Energy: 1.1830329047311332
Energy: 1.0051693435290032
Energy: 1.1830329047311332
Energy: 1.0095982643390544
Energy: 1.12100944502487
Energy: 1.0110159453025451
Energy: 1.1210094450266084
Energy: 1.063779311494663
Energy: 1.184054566122676
Energy: 0.9368654134238049
Energy: 1.1840545661244144
Energy: 1.009625163131235
Energy: 1.1215228764099852
Energy: 1.011053140237861
Energy: 1.1215228764099852
Energy: 0.9278904727111852
Energy: 1.1830252266793242
Energy: 1.0209862644134449
Energy: 1.183025226678455
Energy: 1.003954324385934
Energy: 1.1035731803888316
Energy: 0.9552896440864653
Energy: 1.1035731803905697

minimum gb energy = 0.8536535243350186 eV
minimum distance =  2.27466658111989 Angstroms
sigma value = 25


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

Energy: 1.1312647304496966
Energy: 1.2584219662930738
Energy: 0.979577997787972
Energy: 1.2584219662930738
Energy: 1.1012436584516172
Energy: 1.1873500633675462
Energy: 1.089097860937037
Energy: 1.1873500633685565
Energy: 1.001213057080636
Energy: 1.2896102185918568
Energy: 1.0933021144664612
Energy: 1.2896102185918568
Energy: 1.0732699508437233
Energy: 1.213247281817603
Energy: 1.0238415100261333
Energy: 1.213247281817603
Energy: 1.0239108750073214
Energy: 1.2571343523410294
Energy: 1.0151757540101818
Energy: 1.2571343523410294
Energy: 1.0793087406946675
Energy: 1.2901040187984425
Energy: 1.0997356722836216
Energy: 1.2901040187984425
Energy: 1.1024297824248444
Energy: 1.0983753224548494
Energy: 1.0585547595435556
Energy: 1.0983753224548494
Energy: 1.0203643425339421
Energy: 1.2623381347199318
Energy: 0.9484092320856939
Energy: 1.2623381347189213
Energy: 1.0585768867792267
Energy: 1.1864273099407396
Energy: 1.1025086996487876
Energy: 1.1864273099407396
Energy: 1.0969086776124195
Energy: 1.290776781772022
Energy: 1.0068043047450834
Energy: 1.2907767817710114
Energy: 1.0785124863269424
Energy: 1.2581035490740213
Energy: 1.0895599900002861
Energy: 1.2581035490730108
Energy: 1.030166420667969
Energy: 1.259737930890576
Energy: 1.0888206725043124
Energy: 1.259737930890576
Energy: 1.0926636283519522
Energy: 1.2098478842318245
Energy: 1.0068913775841983
Energy: 1.209847884232835
Energy: 1.0554151424071443
Energy: 1.1001729754129908
Energy: 1.1010298137012997
Energy: 1.1001729754119804
Energy: 0.946829941857262
Energy: 1.258284080741531
Energy: 0.9461233343943383
Energy: 1.2582840807425415
Energy: 1.0900171093766178
Energy: 1.0985563758506578
Energy: 1.0252513670911447
Energy: 1.098556375851668
Energy: 0.9161457885370096
Energy: 1.2895503706828106
Energy: 0.9164068494944508
Energy: 1.2895503706828106
Energy: 1.024056532406531
Energy: 1.2584766077567604
Energy: 1.0756183068298502
Energy: 1.2584766077567604
Energy: 1.0074191104998385
Energy: 1.2135709492998406
Energy: 1.0240779726136704
Energy: 1.2135709493008509
Energy: 1.0983740703305114
Energy: 1.2896729766784363
Energy: 1.0937450609110675
Energy: 1.2896729766784363
Energy: 1.1078341160682994
Energy: 1.1866433604708642
Energy: 1.0910081445629614
Energy: 1.1866433604698539
Energy: 1.1292719700043625
Energy: 1.259968788709797
Energy: 1.0491423983745043
Energy: 1.2599687887087865
Energy: 1.1002459668960525
Energy: 1.1933871585655125
Energy: 1.0888241027912493
Energy: 1.193387158564502
Energy: 0.9993286475910061
Energy: 1.2941309334575781
Energy: 1.096767168042436
Energy: 1.2941309334575781
Energy: 1.0890682894283288
Energy: 1.1135338514302402
Energy: 1.023579024105826
Energy: 1.1135338514302402

minimum gb energy = 0.9161457885370096 eV
minimum distance =  2.27310179960579 Angstroms
sigma value = 9


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

Energy: 1.2081774154330258
Energy: 1.3288060745559414
Energy: 1.102079783381461
Energy: 1.3288060745559414
Energy: 1.2021733343306198
Energy: 1.3108754446391535
Energy: 1.1618704343757569
Energy: 1.3108754446391535
Energy: 1.0842250308167856
Energy: 1.2269012816476006
Energy: 1.168867351792837
Energy: 1.2269012816463953
Energy: 1.2168345205762632
Energy: 1.37285897153987
Energy: 1.0848157365449789
Energy: 1.37285897153987
Energy: 1.1990343443414873
Energy: 1.299508422751237
Energy: 1.1067049582076958
Energy: 1.2995084227524423
Energy: 1.0503087368969726
Energy: 1.2118191530655944
Energy: 1.0872172047199753
Energy: 1.2118191530655944
Energy: 1.2217851432699829
Energy: 1.0373597620709056
Energy: 1.0414201856725953
Energy: 1.0373597620709056
Energy: 1.0146041544248743
Energy: 1.2121638997515765
Energy: 1.0964947334581066
Energy: 1.2121638997515765
Energy: 1.2157421247809976
Energy: 1.300033649182452
Energy: 1.16232486537289
Energy: 1.3000336491812465
Energy: 1.2193027671608425
Energy: 1.3288887394539963
Energy: 1.1295923355222524
Energy: 1.3288887394552016
Energy: 1.093333094529887
Energy: 1.3519613467381355
Energy: 1.2097068812591592
Energy: 1.3519613467381355
Energy: 1.2181338234235222
Energy: 1.215011921536422
Energy: 1.083976981146036
Energy: 1.215011921536422
Energy: 1.064700521927065
Energy: 1.2265450772305864
Energy: 0.9868800517198396
Energy: 1.2265450772317916
Energy: 1.108402599851201
Energy: 1.3074256130321598
Energy: 1.1922421838783792
Energy: 1.3074256130309545
Energy: 1.0645928668242948
Energy: 1.2262071921891602
Energy: 1.0144065860461922
Energy: 1.226207192190366
Energy: 1.2161369522112595
Energy: 1.2147245936809465
Energy: 1.0369856807276088
Energy: 1.2147245936809465
Energy: 1.1528930364519256
Energy: 1.3353387458074875
Energy: 1.1686687133541065
Energy: 1.3353387458074875
Energy: 1.1951722473351458
Energy: 1.332630675099246
Energy: 1.0846668800341366
Energy: 1.332630675099246
Energy: 1.1862222914742067
Energy: 1.2432851155289812
Energy: 1.1223381072544223
Energy: 1.2432851155289812
Energy: 1.067862108349806
Energy: 1.213882422910692
Energy: 1.0953209109719397
Energy: 1.213882422909514
Energy: 1.2196529568253078
Energy: 1.2486637150332436
Energy: 1.088847532718254
Energy: 1.2486637150332436

minimum gb energy = 0.9868800517198396 eV
minimum distance =  2.28222489101798 Angstroms
sigma value = 25


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

Energy: 1.122326423445472
Energy: 1.4405966519074485
Energy: 1.2550769615989679
Energy: 1.4405966519074485
Energy: 1.0966208606950596
Energy: 1.4542609091327916
Energy: 1.0731235684321352
Energy: 1.454260909131301
Energy: 1.0752223508404943
Energy: 1.4745236463340992
Energy: 1.0728780696015365
Energy: 1.4745236463340992
Energy: 1.1180443930910373
Energy: 1.4414988187122255
Energy: 1.1591775004601725
Energy: 1.4414988187122255
Energy: 1.1616058712378958
Energy: 1.0938504064412442
Energy: 1.1754135653771172
Energy: 1.0938504064412442
Energy: 1.079029113331418
Energy: 1.4711947949516995
Energy: 1.0784943938312774
Energy: 1.4711947949516995
Energy: 1.1241719455077366
Energy: 1.2785805960698906
Energy: 1.0738804055510387
Energy: 1.2785805960698906
Energy: 1.1592295646476154
Energy: 1.4385241174577754
Energy: 1.125197083241061
Energy: 1.4385241174562848
Energy: 1.0729370049702476
Energy: 1.2879430270297494
Energy: 1.0980307574299915
Energy: 1.2879430270297494
Energy: 1.2203159448184135
Energy: 1.3123859810597605
Energy: 1.0756542845052215
Energy: 1.3123859810597605
Energy: 1.1397947091431102
Energy: 1.4406590431728707
Energy: 1.2330818805090846
Energy: 1.4406590431728707
Energy: 1.0728440538723154
Energy: 1.1301617198644194
Energy: 1.2247998700317484
Energy: 1.1301617198629286
Energy: 1.182518660905731
Energy: 1.4748546855654139
Energy: 1.0743053166488226
Energy: 1.4748546855669047
Energy: 1.0737198976461806
Energy: 1.440538945585536
Energy: 1.119043747583776
Energy: 1.440538945585536
Energy: 1.1226954732020193
Energy: 1.4402322051148242
Energy: 1.1626097682729943
Energy: 1.4402322051133336
Energy: 1.0948124472852756
Energy: 1.4752503547752065
Energy: 1.0786508613992896
Energy: 1.4752503547752065
Energy: 1.0737491819357985
Energy: 1.1752357050552653
Energy: 1.2246878007813347
Energy: 1.1752357050552653

minimum gb energy = 1.0728440538723154 eV
minimum distance =  2.32101830845065 Angstroms
sigma value = 17


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

Energy: 1.3034259318299954
Energy: 1.2991735901873906
Energy: 1.3146846413540527
Energy: 1.299173590189079
Energy: 1.2654880283497663
Energy: 1.2688388985299992
Energy: 1.1185141642605885
Energy: 1.2688388985308432
Energy: 1.1924735608668333
Energy: 1.2785133762919179
Energy: 1.1181007084739325
Energy: 1.2785133762927623
Energy: 1.1217246340160683
Energy: 1.2988402707497344
Energy: 1.261967352940684
Energy: 1.2988402707539553
Energy: 1.240678497238342
Energy: 1.3674326987063714
Energy: 1.184430318484798
Energy: 1.3674326987055274
Energy: 1.142720693729899
Energy: 1.2926923394819034
Energy: 1.1708964158819581
Energy: 1.292692339481059
Energy: 1.1248237432640003
Energy: 1.2669246184317446
Energy: 1.1234200673150865
Energy: 1.266924618433433
Energy: 1.1727622018932158
Energy: 1.2929723574986656
Energy: 1.137173332031676
Energy: 1.2929723574961327
Energy: 1.145015022171079
Energy: 1.3418772918741393
Energy: 1.2270299114496006
Energy: 1.3418772918732953
Energy: 1.285524150556674
Energy: 1.241887954040176
Energy: 1.118836435877121
Energy: 1.241887954040176
Energy: 1.1254562927651504
Energy: 1.2989909901135226
Energy: 1.1972575371265963
Energy: 1.2989909901143666
Energy: 1.1407333524731416
Energy: 1.2679977023091225
Energy: 1.140929218851153
Energy: 1.2679977023302278
Energy: 1.2532128962809927
Energy: 1.2988025480617562
Energy: 1.2987037998315472
Energy: 1.2988025480626004
Energy: 1.1179269180131506
Energy: 1.4561386440364603
Energy: 1.2137987751556467
Energy: 1.4561386440364603
Energy: 1.2201004291265176
Energy: 1.3491121582922563
Energy: 1.1446176638818495
Energy: 1.349112158291412
Energy: 1.1896287037029456
Energy: 1.293538980834547
Energy: 1.172068095097633
Energy: 1.293538980834547
Energy: 1.1227834000033434
Energy: 1.3379412320211512
Energy: 1.3272067853560154
Energy: 1.3379412320203068
Energy: 1.1965346637678127
Energy: 1.2839754222744983
Energy: 1.142599754351485
Energy: 1.2839754222744983
Energy: 1.2769075095899012
Energy: 1.352127702477682
Energy: 1.1862660114988066
Energy: 1.3521277024751492
Energy: 1.2739036006971436
Energy: 1.2934537973002425
Energy: 1.1221433614425609
Energy: 1.2934537972993982
Energy: 1.1464812538786804
Energy: 1.2840694586936512
Energy: 1.192131788757416
Energy: 1.2840694586936512
Energy: 1.122598302813406
Energy: 1.2937593917246404
Energy: 1.2865129597115477
Energy: 1.2937593917212638
Energy: 1.2495220328174526
Energy: 1.299277735550412
Energy: 1.1198804625957883
Energy: 1.2992777355512564
Energy: 1.2282514856089024
Energy: 1.3466987746430052
Energy: 1.1932861270912443
Energy: 1.3466987746430052
Energy: 1.2964434358461634
Energy: 1.2783684678776972
Energy: 1.2498240083947683
Energy: 1.2783684678776972
Energy: 1.281313226179644
Energy: 1.2996994145351186
Energy: 1.1212093461001695
Energy: 1.2996994145351186
Energy: 1.1497093319078733
Energy: 1.2929742430993156
Energy: 1.333340669639423
Energy: 1.2929742430993156
Energy: 1.1709537177686489
Energy: 1.3104092057472343
Energy: 1.1935537266534624
Energy: 1.3104092057480785
Energy: 1.328018869649858
Energy: 1.4421555312351955
Energy: 1.1244075352969558
Energy: 1.4421555312368843
Energy: 1.1367820760274845
Energy: 1.3421439119952643
Energy: 1.1973233420114886
Energy: 1.342143911996953

minimum gb energy = 1.1179269180131506 eV
minimum distance =  2.26476206523569 Angstroms
sigma value = 53


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

Energy: 1.11756629097071
Energy: 1.1153542966680223
Energy: 1.34908282564758
Energy: 1.1153542966680223
Energy: 1.2641113478042898
Energy: 1.2289185405747731
Energy: 1.136886020567879
Energy: 1.2289185405747731
Energy: 1.1184909959465836
Energy: 1.1154910561826994
Energy: 1.136604639588889
Energy: 1.1154910561826994
Energy: 1.118416819905495
Energy: 1.115595558068701
Energy: 1.1068465721946796
Energy: 1.1155955580706443
Energy: 1.2640968100139642
Energy: 1.2288693716498358
Energy: 1.1558604901396632
Energy: 1.2288693716517796
Energy: 1.11756629097071
Energy: 1.1153542966699659
Energy: 1.2523241869426145
Energy: 1.1153542966680223
Energy: 1.2641113478042898
Energy: 1.2289185405747731
Energy: 1.2123738522976748
Energy: 1.228918540576717
Energy: 1.1184909959465836
Energy: 1.1154910561826994
Energy: 1.1067528256406365
Energy: 1.1154910561826994
Energy: 1.1184168199074382
Energy: 1.1155955580706443
Energy: 1.136739556304531
Energy: 1.1155955580706443
Energy: 1.2640968100139642
Energy: 1.2288693716498358
Energy: 1.2613121487198706
Energy: 1.2288693716498358
Energy: 1.11756629097071
Energy: 1.1153542966699659
Energy: 1.205855341921916
Energy: 1.1153542966680223
Energy: 1.2641113478042898
Energy: 1.2289185405747731
Energy: 1.206805386427429
Energy: 1.2289185405747731
Energy: 1.1184909959465836
Energy: 1.1154910561826994
Energy: 1.2689964492389771
Energy: 1.1154910561826994

minimum gb energy = 1.1067528256406365 eV
minimum distance =  2.31025234173269 Angstroms
sigma value = 9


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

Energy: 1.2310787812752229
Energy: 1.2608156076274764
Energy: 1.434542418881183
Energy: 1.260815607631073
Energy: 1.343208879363485
Energy: 1.2452075139279593
Energy: 1.1971482553087571
Energy: 1.2452075139286785
Energy: 1.147584201850341
Energy: 1.2116896824695484
Energy: 1.1639236731641653
Energy: 1.2116896824688292
Energy: 1.2050747237549484
Energy: 1.5307702644260621
Energy: 1.1578766041735222
Energy: 1.5307702644260621
Energy: 1.2499019865677896
Energy: 1.2745510502034827
Energy: 1.1750713375904738
Energy: 1.2745510502027633
Energy: 1.2139514932453088
Energy: 1.2112892697469118
Energy: 1.2000631413372689
Energy: 1.2112892697461926
Energy: 1.3775370620059668
Energy: 1.266876761418498
Energy: 1.2103363965400282
Energy: 1.2668767614199365
Energy: 1.1630607696903401
Energy: 1.5351130866197196
Energy: 1.2676390298859137
Energy: 1.5351130866197196
Energy: 1.1500080293955688
Energy: 1.5455104824927097
Energy: 1.2239024740439102
Energy: 1.5455104824927097
Energy: 1.1484419216335882
Energy: 1.2401333068923306
Energy: 1.1983351475530146
Energy: 1.2401333068930496
Energy: 1.1651180157587755
Energy: 1.2223714595445028
Energy: 1.3144568170801525
Energy: 1.2223714595459414
Energy: 1.3337194635707987
Energy: 1.3407354729172223
Energy: 1.1526595172982879
Energy: 1.3407354729006775
Energy: 1.1495242496284988
Energy: 1.2405842644701441
Energy: 1.2958406587244615
Energy: 1.2405842644672664
Energy: 1.2109182821249347
Energy: 1.538204077390169
Energy: 1.2360938235724055
Energy: 1.5382040773894496
Energy: 1.210937063175251
Energy: 1.3777152717148813
Energy: 1.2299361147269163
Energy: 1.377715271712723
Energy: 1.1533823954834217
Energy: 1.5449431556694404
Energy: 1.1952258122194375
Energy: 1.5449431556694404
Energy: 1.2060854517010375
Energy: 1.3778342865066273
Energy: 1.1641534108175298
Energy: 1.3778342865059081
Energy: 1.168305762358808
Energy: 1.267629784943874
Energy: 1.3137066447681502
Energy: 1.2676297849431548
Energy: 1.3176393420649692
Energy: 1.2400416630064435
Energy: 1.2160199514796608
Energy: 1.2400416630035662
Energy: 1.1920569164017984
Energy: 1.2585449042547785
Energy: 1.228185198285271
Energy: 1.2585449042540593
Energy: 1.2118103239336444
Energy: 1.529346927839831
Energy: 1.2074434126401588
Energy: 1.5293469278405507
Energy: 1.2280968026027668
Energy: 1.2833353059229466
Energy: 1.14797696533133
Energy: 1.283335305922227
Energy: 1.2188677536881074
Energy: 1.4035734994520759
Energy: 1.1502047951339456
Energy: 1.4035734994520759
Energy: 1.3722534583715587
Energy: 1.2051689642382133
Energy: 1.1624923377665282
Energy: 1.2051689642403713
Energy: 1.197527068893299
Energy: 1.3403392491816928
Energy: 1.4175273346608013
Energy: 1.3403392491838508
Energy: 1.169448079148758
Energy: 1.2118032845376472
Energy: 1.147905845517849
Energy: 1.2118032845383664
Energy: 1.2324349757811461
Energy: 1.3798831540174639
Energy: 1.204607674281512
Energy: 1.3798831540160252
Energy: 1.2528211466865984
Energy: 1.5307208009551232
Energy: 1.2051823558263028
Energy: 1.5307208009551232
Energy: 1.2030623323194567
Energy: 1.2111942077057782
Energy: 1.1464895805223203
Energy: 1.2111942077043396
Energy: 1.1969376603183923
Energy: 1.3433559669790247
Energy: 1.4204139730456211
Energy: 1.3433559669761475
Energy: 1.3791925334017425
Energy: 1.2064876677461842
Energy: 1.1618544153991741
Energy: 1.2064876677490615
Energy: 1.1976101515752724
Energy: 1.2698594655329334
Energy: 1.1481080513910997
Energy: 1.2698594655329334
Energy: 1.1974954043147528
Energy: 1.2837053206752458
Energy: 1.1475121177464203
Energy: 1.2837053206766844
Energy: 1.202807604954984
Energy: 1.5308042098566292
Energy: 1.2046383082600949
Energy: 1.53080420985591
Energy: 1.1641719427483908
Energy: 1.4143248377083506
Energy: 1.3773857273470431
Energy: 1.414324837706912

minimum gb energy = 1.1464895805223203 eV
minimum distance =  2.27390818821697 Angstroms
sigma value = 73


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

Energy: 1.265322940979262
Energy: 1.2655066503536951
Energy: 1.2909190871352556
Energy: 1.2655066503536951
Energy: 1.303841482315845
Energy: 1.3376204056237853
Energy: 1.2111097366850951
Energy: 1.3376204056237853
Energy: 1.1658926381970025
Energy: 1.2086487987726282
Energy: 1.185367073818937
Energy: 1.2086487987726282
Energy: 1.126505669861273
Energy: 1.4302353716460188
Energy: 1.19019359482298
Energy: 1.4302353716460188
Energy: 1.1732351410270045
Energy: 1.3104214573409192
Energy: 1.1867003531865663
Energy: 1.3104214573409192
Energy: 1.1975543160912185
Energy: 1.2549080526211989
Energy: 1.2188417984866722
Energy: 1.2549080526200576
Energy: 1.3981337171176247
Energy: 1.3528709251138404
Energy: 1.15898803184385
Energy: 1.3528709251149817
Energy: 1.1550177620117048
Energy: 1.2311934670449909
Energy: 1.3700811750972957
Energy: 1.2311934670449909
Energy: 1.2899810721308358
Energy: 1.2323066166183552
Energy: 1.2298102558177328
Energy: 1.2323066166172139
Energy: 1.1621286165841456
Energy: 1.2535368423375233
Energy: 1.1617952009474242
Energy: 1.2535368423375233
Energy: 1.1520578195267772
Energy: 1.2321688159602235
Energy: 1.258101512082128
Energy: 1.2321688159602235
Energy: 1.2700436868584188
Energy: 1.4282050770945898
Energy: 1.1259023824667913
Energy: 1.4282050770945898
Energy: 1.1902488981819357
Energy: 1.3008859359859188
Energy: 1.367280624006674
Energy: 1.3008859359847775
Energy: 1.2816301244843529
Energy: 1.4083806638522778
Energy: 1.1965157223799492
Energy: 1.4083806638522778
Energy: 1.1243043382984919
Energy: 1.410967143041824
Energy: 1.373915682060612
Energy: 1.410967143041824
Energy: 1.2575584307827186
Energy: 1.231353509497589
Energy: 1.1555450817285107
Energy: 1.231353509497589
Energy: 1.270463259222954
Energy: 1.2673450188302375
Energy: 1.1660589423065206
Energy: 1.2673450188302375
Energy: 1.2174856148488327
Energy: 1.4209600386203192
Energy: 1.1618219095534301
Energy: 1.4209600386191779
Energy: 1.1223963013969622
Energy: 1.2313797004395037
Energy: 1.1545444056095677
Energy: 1.231379700440645
Energy: 1.2110165657423944
Energy: 1.2881629348572063
Energy: 1.4436636841603996
Energy: 1.288162934832098
Energy: 1.305819810941831
Energy: 1.2427382278839587
Energy: 1.1966133074618852
Energy: 1.2427382278851
Energy: 1.2068936238976078
Energy: 1.3093510104377661
Energy: 1.284838853508765
Energy: 1.3093510104377661

minimum gb energy = 1.1223963013969622 eV
minimum distance =  2.28895302972544 Angstroms
sigma value = 7


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

Energy: 1.2664094742668506
Energy: 1.2623714507598465
Energy: 1.4324183627145657
Energy: 1.2623714507614603
Energy: 1.3520101298280058
Energy: 1.2048611144613808
Energy: 1.2043782560882086
Energy: 1.204861114460574
Energy: 1.1778828744272076
Energy: 1.4679586642756224
Energy: 1.1672709923942213
Energy: 1.4679586642748153
Energy: 1.1427110051773655
Energy: 1.3369520137618878
Energy: 1.2050146333544167
Energy: 1.336952013762695
Energy: 1.1831960643178991
Energy: 1.2890081558260926
Energy: 1.174442347612916
Energy: 1.2890081558268995
Energy: 1.1811249857994073
Energy: 1.2635928307272828
Energy: 1.2738859499433473
Energy: 1.2635928307264757
Energy: 1.3866628820337659
Energy: 1.4364641253419403
Energy: 1.1615713108722348
Energy: 1.4364641253411332
Energy: 1.180745018228412
Energy: 1.2632418612942207
Energy: 1.4097190617421724
Energy: 1.2632418612942207
Energy: 1.289415980360786
Energy: 1.3164828497088499
Energy: 1.2033421010483563
Energy: 1.316482849709657
Energy: 1.1796892456518153
Energy: 1.2965474404633766
Energy: 1.2704540877823394
Energy: 1.2965474404633766
Energy: 1.1481093228538155
Energy: 1.4672321786497993
Energy: 1.1617117379359065
Energy: 1.4672321786506062
Energy: 1.2328127774190454
Energy: 1.289268332314356
Energy: 1.1585985845118512
Energy: 1.289268332314356
Energy: 1.231305568331613
Energy: 1.2639920309856973
Energy: 1.162027686208438
Energy: 1.2639920309873114
Energy: 1.167804930414026
Energy: 1.2474091973894623
Energy: 1.1576662422600381
Energy: 1.2474091973902692
Energy: 1.1809135601686125
Energy: 1.3737682981811796
Energy: 1.3903705141965614
Energy: 1.3737682981819868
Energy: 1.3358668203477189
Energy: 1.2471434987623475
Energy: 1.199527971451113
Energy: 1.2471434987607335
Energy: 1.1818550534971433
Energy: 1.2895676724572427
Energy: 1.3235869491114745
Energy: 1.2895676724580494
Energy: 1.181683911454541
Energy: 1.2495300902660984
Energy: 1.1580899512725973
Energy: 1.2495300902644844
Energy: 1.1805041690379103
Energy: 1.2630412200187209
Energy: 1.1619261639271645
Energy: 1.2630412200154932
Energy: 1.1793530410794364
Energy: 1.2887273362599647
Energy: 1.1586007023925404
Energy: 1.2887273362551226
Energy: 1.1474483941653806
Energy: 1.4214017007719637
Energy: 1.2036246852522532
Energy: 1.421401700787297
Energy: 1.1799682085148995
Energy: 1.4614941206199024
Energy: 1.3499249531681745
Energy: 1.4614941206190952
Energy: 1.3367076992453146
Energy: 1.4319111097975965
Energy: 1.1613754949384718
Energy: 1.4319111097992105
Energy: 1.269445332819712
Energy: 1.2631458517252792
Energy: 1.2656634760272112
Energy: 1.2631458517236651
Energy: 1.2131277471814907
Energy: 1.288880442096381
Energy: 1.1618634879158656
Energy: 1.288880442094767
Energy: 1.1419526219521512
Energy: 1.465738608107131
Energy: 1.1661064894958728
Energy: 1.465738608107131
Energy: 1.181284485792199
Energy: 1.2964371788704507
Energy: 1.2453124010499768
Energy: 1.296437178872872
Energy: 1.1432226175015683
Energy: 1.289192493943755
Energy: 1.206258512641369
Energy: 1.2891924939421409
Energy: 1.1770342198332033
Energy: 1.2627857806239897
Energy: 1.2380526255841484
Energy: 1.2627857806239897
Energy: 1.4033355499331512
Energy: 1.2267110833854789
Energy: 1.2058244068671666
Energy: 1.2267110833846717
Energy: 1.1770328107737087
Energy: 1.2629719146018328
Energy: 1.3580197694852292
Energy: 1.2629719146002187

minimum gb energy = 1.1419526219521512 eV
minimum distance =  2.27433387375475 Angstroms
sigma value = 29


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

Energy: 1.1917774466934505
Energy: 1.1973400855418082
Energy: 1.082100179676208
Energy: 1.197340085541527
Energy: 1.126317886477105
Energy: 1.212253393306061
Energy: 1.2145226659566808
Energy: 1.212253393305249
Energy: 1.0796060893110027
Energy: 1.2807372011606903
Energy: 1.1253686085683645
Energy: 1.2807372011609717
Energy: 1.215701526212784
Energy: 1.237011733518027
Energy: 1.2146434820390548
Energy: 1.237011733518589
Energy: 1.1901765120784153
Energy: 1.2693081889010884
Energy: 1.1197128328133972
Energy: 1.2693081889010884
Energy: 1.080498406466718
Energy: 1.307032578333129
Energy: 1.0802473649023219
Energy: 1.307032578333129
Energy: 1.079960606047445
Energy: 1.2691124723661804
Energy: 1.1902147453548757
Energy: 1.2691124723661804
Energy: 1.2140118882815225
Energy: 1.2376884038376552
Energy: 1.2126905601843305
Energy: 1.2376884038382172
Energy: 1.1255464975334102
Energy: 1.2810386360765682
Energy: 1.1247720929994502
Energy: 1.2810386360765682

minimum gb energy = 1.0796060893110027 eV
minimum distance =  2.30324155186216 Angstroms
sigma value = 5


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

Energy: 1.1492922970595936
Energy: 1.1710306893485138
Energy: 1.0852216468814435
Energy: 1.1710306893492763
Energy: 1.3964135810398237
Energy: 1.1259980548042274
Energy: 1.095858130596612
Energy: 1.1259980548042274
Energy: 1.08422640811845
Energy: 1.1532220907236266
Energy: 1.2785739665749671
Energy: 1.1532220907236266
Energy: 1.0787188682288504
Energy: 1.2063588493170447
Energy: 1.124987866517454
Energy: 1.206358849317807
Energy: 1.1100774581962356
Energy: 1.2143535910094447
Energy: 1.2748297912161013
Energy: 1.2143535910102072
Energy: 1.1160758023700714
Energy: 1.1734754870796982
Energy: 1.1017952951295213
Energy: 1.1734754870796982
Energy: 1.0848659491632882
Energy: 1.2138678582356466
Energy: 1.0868714246592823
Energy: 1.2138678582348845
Energy: 1.0856754552375134
Energy: 1.1737028699114522
Energy: 1.0907497077762933
Energy: 1.1737028699122145
Energy: 1.1125311210982591
Energy: 1.2133709660709258
Energy: 1.0768054279410937
Energy: 1.213370966069401
Energy: 1.1127005684477214
Energy: 1.2160358736571462
Energy: 1.0715384470673772
Energy: 1.2160358736579087
Energy: 1.0949776002235447
Energy: 1.2028147885559666
Energy: 1.0881020005200097
Energy: 1.2028147885544418
Energy: 1.0868425966351734
Energy: 1.142694589293767
Energy: 1.1747379612502662
Energy: 1.142694589293767
Energy: 1.1219919508138803
Energy: 1.1718388238237896
Energy: 1.1706166611221802
Energy: 1.1718388238237896
Energy: 1.1123301742843565
Energy: 1.1713201450385742
Energy: 1.3803157420389762
Energy: 1.1713201450378117
Energy: 1.3069715131087876
Energy: 1.1156581533085308
Energy: 1.0880937999769016
Energy: 1.115658153306244
Energy: 1.1228280926094687
Energy: 1.15314456949334
Energy: 1.1008530444580205
Energy: 1.15314456949334
Energy: 1.2753885148844561
Energy: 1.1395023212098394
Energy: 1.1014690788460444
Energy: 1.1395023212113642
Energy: 1.1121210606969907
Energy: 1.1719963164773208
Energy: 1.1719602060090706
Energy: 1.1719963164773208
Energy: 1.1113977325405013
Energy: 1.2180579759535248
Energy: 1.096857119581338
Energy: 1.2180579759535248
Energy: 1.0848176812722237
Energy: 1.2326617209123312
Energy: 1.1285341085169962
Energy: 1.2326617209115691
Energy: 1.0721255284212605
Energy: 1.1989917620995536
Energy: 1.121810235703164
Energy: 1.198991762102603
Energy: 1.1110942229651082
Energy: 1.2134807355157557
Energy: 1.1110238548010996
Energy: 1.2134807355157557
Energy: 1.098803124266999
Energy: 1.1728062214098365
Energy: 1.0721979561744357
Energy: 1.1728062214105988
Energy: 1.1739940570863248
Energy: 1.2036843523921534
Energy: 1.0849475770189492
Energy: 1.2036843523921534
Energy: 1.1803857414582952
Energy: 1.1573654962591073
Energy: 1.0941271345516475
Energy: 1.1573654962591073
Energy: 1.1491585280666767
Energy: 1.1717230336089928
Energy: 1.1118363145065666
Energy: 1.1717230336082307
Energy: 1.0977648030540217
Energy: 1.1002206925163918
Energy: 1.1317499909121091
Energy: 1.1002206925125801
Energy: 1.1070489929516631
Energy: 1.2079206191030203
Energy: 1.1228022326196478
Energy: 1.2079206191030203
Energy: 1.095476040740312
Energy: 1.1252446059433676
Energy: 1.4346940395306638
Energy: 1.1252446059471792
Energy: 1.2391590308613165
Energy: 1.1717149537359441
Energy: 1.1120562060920003
Energy: 1.1717149537359441
Energy: 1.1010367138099744
Energy: 1.1356071159900007
Energy: 1.2664858407015558
Energy: 1.1356071159900007
Energy: 1.274200927135525
Energy: 1.157011501529313
Energy: 1.0874400185784563
Energy: 1.157011501527788
Energy: 1.1238714814149617
Energy: 1.2033220963601963
Energy: 1.076506437026736
Energy: 1.2033220963601963

minimum gb energy = 1.0715384470673772 eV
minimum distance =  2.29387337501643 Angstroms
sigma value = 1


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

Energy: 1.1137579714052166
Energy: 1.1102231678011816
Energy: 1.1264954049776776
Energy: 1.1102231678001275
Energy: 1.3343755482696928
Energy: 1.0559821425149143
Energy: 1.0624245189414323
Energy: 1.0559821425149143
Energy: 1.0189880133968445
Energy: 1.1108528922446121
Energy: 1.4784521598820728
Energy: 1.1108528922425043
Energy: 1.070339931469045
Energy: 1.1632900793838261
Energy: 1.0607889645214825
Energy: 1.1632900793838261
Energy: 1.0198861604003886
Energy: 1.2061237624700618
Energy: 1.283991033496058
Energy: 1.2061237624690078
Energy: 1.0224965523632499
Energy: 1.157978157535629
Energy: 1.0609841181713315
Energy: 1.157978157535629
Energy: 1.020750134325177
Energy: 1.2103404655436458
Energy: 1.0777644644628748
Energy: 1.2103404655436458
Energy: 1.0204896827597656
Energy: 1.1140364049444607
Energy: 1.0781749088190862
Energy: 1.1140364049434068
Energy: 1.1167537686819073
Energy: 1.1083584374098765
Energy: 1.0768543354750948
Energy: 1.1083584374098765
Energy: 1.1072871731871086
Energy: 1.1084673897823614
Energy: 1.0803146683848508
Energy: 1.1084673897813075
Energy: 1.0205442958205062
Energy: 1.1140644125430827
Energy: 1.0707614933084009
Energy: 1.1140644125441368
Energy: 1.0200775558615203
Energy: 1.210115092909695
Energy: 1.0803794340686679
Energy: 1.210115092909695
Energy: 1.0222056424607127
Energy: 1.1580753067567555
Energy: 1.0612154728167857
Energy: 1.1580753067578093
Energy: 1.019755988997654
Energy: 1.2053667981356553
Energy: 1.213268817565579
Energy: 1.2053667981367095
Energy: 1.0692331119401077
Energy: 1.1631055575120257
Energy: 1.0607844487931406
Energy: 1.1631055575130798
Energy: 1.0187812650158727
Energy: 1.1107860678460257
Energy: 1.075735735424983
Energy: 1.1107860678470796
Energy: 1.3341867837221155
Energy: 1.0559488491614315
Energy: 1.0628414985480026
Energy: 1.0559488491593234
Energy: 1.1137579714052166
Energy: 1.1102231678011816
Energy: 1.0461387841133458
Energy: 1.1102231678001275
Energy: 1.3343755482707467
Energy: 1.0559821425149143
Energy: 1.0624245189414323
Energy: 1.0559821425149143
Energy: 1.0189880133968445
Energy: 1.1108528922456664
Energy: 1.4784521598820728
Energy: 1.1108528922435583
Energy: 1.0703399314711528
Energy: 1.1632900793838261
Energy: 1.0607889645214825
Energy: 1.1632900793838261
Energy: 1.0198861604003886
Energy: 1.2061237624700618
Energy: 1.283991033496058
Energy: 1.2061237624690078
Energy: 1.0224965523632499
Energy: 1.157978157535629
Energy: 1.0609841181713315
Energy: 1.157978157535629
Energy: 1.020750134325177
Energy: 1.2103404655436458
Energy: 1.0726720685728002
Energy: 1.2103404655436458

minimum gb energy = 1.0187812650158727 eV
minimum distance =  2.30235271068269 Angstroms
sigma value = 17


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

Energy: 1.0886182339130193
Energy: 1.085685252953182
Energy: 1.2646737723286885
Energy: 1.0856852529538332
Energy: 1.314819658757603
Energy: 1.0687771790145995
Energy: 1.036018588987896
Energy: 1.0687771790145995
Energy: 1.0362744939778055
Energy: 1.067875967118684
Energy: 1.3181800443969465
Energy: 1.067875967117381
Energy: 1.0586093549619686
Energy: 1.2505616530241712
Energy: 1.032563432684176
Energy: 1.2505616530241712
Energy: 1.017748995331119
Energy: 1.1485164736069784
Energy: 1.3159827683223981
Energy: 1.1485164736063271
Energy: 1.0066852002637787
Energy: 1.2686152871287086
Energy: 1.0539686103993375
Energy: 1.2686152871293601
Energy: 1.0361198838175476
Energy: 1.1274390860490096
Energy: 1.0921118709428865
Energy: 1.1274390860490096
Energy: 1.0179641577032645
Energy: 1.2783422694138027
Energy: 1.0166438176149564
Energy: 1.2783422694124995
Energy: 1.0803004062077453
Energy: 1.2794174111850403
Energy: 1.0580036016428114
Energy: 1.2794174111856917
Energy: 1.0843054013781779
Energy: 1.1109623516545368
Energy: 1.0360475916559297
Energy: 1.1109623516525824
Energy: 1.0367846631740434
Energy: 1.2494172368847773
Energy: 1.0177833499684434
Energy: 1.2494172368834744
Energy: 1.0390673883898847
Energy: 1.1182353335691901
Energy: 1.019543189579762
Energy: 1.1182353335691901
Energy: 1.0054570575395607
Energy: 1.2688854305711932
Energy: 1.0345455346466883
Energy: 1.2688854305724961
Energy: 1.017872736319783
Energy: 1.1479973599233702
Energy: 1.1138603537985934
Energy: 1.1479973599227187
Energy: 1.0207766414744694
Energy: 1.25874678886779
Energy: 1.094073209424161
Energy: 1.25874678886779
Energy: 1.0363006360300027
Energy: 1.068126144932825
Energy: 1.312535693906082
Energy: 1.0681261449341282
Energy: 1.0466200102962449
Energy: 1.2610471849697023
Energy: 1.0338850543656093
Energy: 1.2610471849703537
Energy: 1.0316374183891246
Energy: 1.0861066113887512
Energy: 1.0328831814419106
Energy: 1.0861066113880995
Energy: 1.2005461343459611
Energy: 1.1202212712054143
Energy: 1.0368844779161994
Energy: 1.1202212712067172
Energy: 1.054052305590272
Energy: 1.0677213168451403
Energy: 1.1967820687389146
Energy: 1.0677213168444888
Energy: 1.4557254883397601
Energy: 1.0583094056631785
Energy: 1.0344402170005038
Energy: 1.0583094056631785
Energy: 1.0349000035609088
Energy: 1.086960626649403
Energy: 1.3234095280848426
Energy: 1.0869606266487513
Energy: 1.1885595995486358
Energy: 1.0503213150281763
Energy: 1.0536090869090475
Energy: 1.0503213150275248
Energy: 1.037051355512115
Energy: 1.1283663368669736
Energy: 1.2186547777474133
Energy: 1.128366336867625
Energy: 1.0464482272833617
Energy: 1.0867840111303095
Energy: 1.0318600863716996
Energy: 1.0867840111309612
Energy: 1.0354734758464146
Energy: 1.1493390188184411
Energy: 1.0508667646396619
Energy: 1.1493390188184411
Energy: 1.179453371282999
Energy: 1.102485733191814
Energy: 1.0370907367308595
Energy: 1.1024857331924656
Energy: 1.0970686673587942
Energy: 1.2597636933043224
Energy: 1.0191735775494217
Energy: 1.2597636933017164
Energy: 1.1103545072382488
Energy: 1.1472135389002966
Energy: 1.0188886833203574
Energy: 1.1472135389002966
Energy: 1.035754568890123
Energy: 1.2670602022508164
Energy: 1.0610471355278526
Energy: 1.2670602022501647
Energy: 1.0190370012087344
Energy: 1.147212249713649
Energy: 1.0376601824483196
Energy: 1.147212249713649
Energy: 1.0190538810769338
Energy: 1.2504209062871532
Energy: 1.0347371522055222
Energy: 1.2504209062884561
Energy: 1.0371167140925748
Energy: 1.1106507853327205
Energy: 1.2136849004560795
Energy: 1.1106507853385839
Energy: 1.0630982457191207
Energy: 1.2826709623686035
Energy: 1.0568134378814587
Energy: 1.2826709623686035
Energy: 1.0171928137827304
Energy: 1.0867214650831531
Energy: 1.0509581970751314
Energy: 1.0867214650825014
Energy: 1.0882897442132018
Energy: 1.1283170680881789
Energy: 1.0347361664948387
Energy: 1.1283170680881789
Energy: 1.0534684949207629
Energy: 1.2699807280662174
Energy: 1.0060133499094008
Energy: 1.2699807280662174
Energy: 1.3156036504542834
Energy: 1.1493390865454387
Energy: 1.034680522299024
Energy: 1.1493390865473931

minimum gb energy = 1.0054570575395607 eV
minimum distance =  2.29937373241957 Angstroms
sigma value = 89


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

Energy: 0.947811321957973
Energy: 0.945588396680552
Energy: 0.9343259723032615
Energy: 0.945588396680552
Energy: 0.9501721217318025
Energy: 0.9869301357349876
Energy: 0.9536874394101601
Energy: 0.9869301357366922
Energy: 0.9535617136852772
Energy: 1.1171598604171868
Energy: 1.3729318660898258
Energy: 1.1171598604188915
Energy: 0.9230947092460382
Energy: 0.9869015976283833
Energy: 0.9536413267578554
Energy: 0.986901597630088
Energy: 0.9526501640128259
Energy: 1.0307103747971114
Energy: 1.5792682045403788
Energy: 1.0307103747971114
Energy: 0.9495275615878986
Energy: 0.9470226801160321
Energy: 0.9507199024637362
Energy: 0.9470226801160321
Energy: 0.9530387197633061
Energy: 1.117391272530739
Energy: 0.9540997120372418
Energy: 1.117391272530739
Energy: 0.908380548207567
Energy: 1.115672085541209
Energy: 0.9532066780107185
Energy: 1.115672085541209
Energy: 0.9499707020446804
Energy: 1.0313157020027393
Energy: 0.9156085491475273
Energy: 1.0313157020027393
Energy: 0.9867278624044624
Energy: 1.024882123834828
Energy: 0.9480281950034086
Energy: 1.024882123834828
Energy: 0.9429309047610551
Energy: 0.9878009771613079
Energy: 0.9535694410825957
Energy: 0.9878009771613079
Energy: 0.9429601440830934
Energy: 1.1206165770163379
Energy: 0.9530275699785424
Energy: 1.1206165770163379
Energy: 0.9486976585413865
Energy: 0.9483894255317458
Energy: 0.9230350155757802
Energy: 0.9483894255317458
Energy: 0.9498987944834906
Energy: 1.0292917784998494
Energy: 0.9498824474481519
Energy: 1.0292917785015543
Energy: 0.9072403558278591
Energy: 0.9484724273339517
Energy: 0.9490974297207841
Energy: 0.9484724273339517

minimum gb energy = 0.9072403558278591 eV
minimum distance =  2.31736017291818 Angstroms
sigma value = 13


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

Energy: 0.9221311856890283
Energy: 0.8795284455200576
Energy: 1.129855128944466
Energy: 0.879528445520772
Energy: 1.3742658159272882
Energy: 0.9074143853821925
Energy: 0.8632939197507042
Energy: 0.9074143853864793
Energy: 0.8820365146780573
Energy: 0.880321478898172
Energy: 1.3113335686855008
Energy: 0.8803214788953142
Energy: 0.88803117094675
Energy: 0.9073209895178913
Energy: 0.8598705929820876
Energy: 0.9073209895178913
Energy: 0.8897881028382264
Energy: 0.9430426053030658
Energy: 0.8814282239392432
Energy: 0.9430426053030658
Energy: 0.868778830882401
Energy: 0.9079352992695735
Energy: 0.8945692624102605
Energy: 0.907935299268859
Energy: 0.8898844494308524
Energy: 0.9492598982133136
Energy: 1.2113199155929968
Energy: 0.9492598982111702
Energy: 0.8474163621590313
Energy: 0.9080715641961262
Energy: 0.894537022601349
Energy: 0.9080715641904106
Energy: 0.8899144070809987
Energy: 0.9484495186430638
Energy: 1.0508008411876537
Energy: 0.9484495186444927
Energy: 1.064123932169375
Energy: 0.9691470019425523
Energy: 0.8600401296528987
Energy: 0.9691470019411234
Energy: 0.8899259049632305
Energy: 0.9699213032590207
Energy: 0.8671982930250804
Energy: 0.9699213032625931
Energy: 1.207021408845035
Energy: 0.969092113162545
Energy: 0.8592078606440503
Energy: 0.9690921131668317
Energy: 0.9298255702862339
Energy: 0.8997947391239111
Energy: 0.8619762475009968
Energy: 0.8997947391231965
Energy: 1.2312977171631265
Energy: 0.9696081150078881
Energy: 0.8592933112727422
Energy: 0.9696081150043158
Energy: 0.8900777494084673
Energy: 0.8803057595834062
Energy: 0.8590984348223302
Energy: 0.8803057595848351
Energy: 0.887367361962088
Energy: 0.9701808916131476
Energy: 0.8614504577586652
Energy: 0.9701808916110042
Energy: 0.8811342777389672
Energy: 0.8784674201014209
Energy: 0.86353030405549
Energy: 0.8784674201064221
Energy: 0.8780536948390496
Energy: 0.9462713183017099
Energy: 0.9019731816984927
Energy: 0.9462713183024243
Energy: 0.8812072051651618
Energy: 0.9465746727955903
Energy: 0.9021752565204166
Energy: 0.9465746727955903
Energy: 0.8812319713594625
Energy: 0.9465892168509749
Energy: 0.9021052181631716
Energy: 0.9465892168552617
Energy: 0.878373194011449
Energy: 0.946192153400572
Energy: 0.9022300237999162
Energy: 0.9461921533991431
Energy: 0.8811447136916638
Energy: 0.8784027350425424
Energy: 0.8639524647473852
Energy: 0.8784027350439714
Energy: 0.8871732596375963
Energy: 0.9699476018434379
Energy: 0.8614315847453913
Energy: 0.9699476018441524
Energy: 0.8900551594051055
Energy: 0.880217857758398
Energy: 0.854714408749232
Energy: 0.8802178577641138
Energy: 1.2311222144076326
Energy: 0.9695040535765697
Energy: 0.8591973028801847
Energy: 0.9695040535765697
Energy: 0.9288415730279002
Energy: 0.8998020245260876
Energy: 0.8673028451979814
Energy: 0.8998020245282309
Energy: 1.206632753955807
Energy: 0.9691272036664779
Energy: 0.859331479084364
Energy: 0.9691272036693357
Energy: 0.8899304509135455
Energy: 0.9701396371791253
Energy: 0.8672982909892556
Energy: 0.9701396371826976
Energy: 1.064206500979876
Energy: 0.9692101548791081
Energy: 0.8600167610515991
Energy: 0.9692101548783937
Energy: 0.8899517043648816
Energy: 0.9488004354563504
Energy: 1.186976737984653
Energy: 0.9488004354592082
Energy: 0.8526957103558412
Energy: 0.9078281257523999
Energy: 0.8946184565937919
Energy: 0.9078281257509708
Energy: 0.8901237783921981
Energy: 0.949557669156102
Energy: 1.3451636204890254
Energy: 0.9495576691553874
Energy: 0.8642749812593614
Energy: 0.9076784470829876
Energy: 0.8944335790131848
Energy: 0.9076784470872744
Energy: 0.889763371366429
Energy: 0.9430900217924272
Energy: 0.8776192933085473
Energy: 0.9430900217924272
Energy: 0.8884022141152943
Energy: 0.9068586240089116
Energy: 0.8598561201255857
Energy: 0.906858624003196

minimum gb energy = 0.8474163621590313 eV
minimum distance =  2.3285863215993 Angstroms
sigma value = 37


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

Energy: 0.8393838907524083
Energy: 0.8372635002544232
Energy: 0.740637466222406
Energy: 0.8372635002544232
Energy: 1.362732070455665
Energy: 0.8363783311259613
Energy: 0.773770209683376
Energy: 0.8363783311259613
Energy: 0.7894628425487671
Energy: 0.93721673600613
Energy: 1.08459191308112
Energy: 0.93721673600613
Energy: 0.7734092534723495
Energy: 0.8364058798197875
Energy: 0.7741975465413696
Energy: 0.8364058798197875
Energy: 0.7734407074443455
Energy: 0.8363141316106114
Energy: 0.7695113767099401
Energy: 0.8363141316106114
Energy: 0.7470746250742496
Energy: 0.8363661285739048
Energy: 0.7711357476918115
Energy: 0.8363661285739048
Energy: 0.773420751741486
Energy: 0.8805202574089972
Energy: 1.082126189298122
Energy: 0.880520257407768
Energy: 0.7710144962790929
Energy: 0.8378565399754658
Energy: 0.8414677597247104
Energy: 0.8378565399754658
Energy: 0.7729024723636534
Energy: 0.8362327578989438
Energy: 1.081366975743117
Energy: 0.8362327578989438
Energy: 1.121723663795212
Energy: 0.9263441798347513
Energy: 0.7713294308065719
Energy: 0.9263441798347513
Energy: 0.7940988067332089
Energy: 0.8802673965145045
Energy: 0.7720643844768041
Energy: 0.8802673965157337
Energy: 1.142119212546547
Energy: 0.8370424899651262
Energy: 0.7738743811566154
Energy: 0.8370424899638971
Energy: 0.7735662977917133
Energy: 0.8360098022264109
Energy: 0.7480732844716441
Energy: 0.8360098022276401
Energy: 1.081901022405215
Energy: 0.8801757150598045
Energy: 0.7721983630153617
Energy: 0.8801757150610338
Energy: 0.8424926213177912
Energy: 0.8813295720960446
Energy: 0.7721964322483067
Energy: 0.8813295720960446
Energy: 0.8348742076178494
Energy: 0.8366057649320169
Energy: 0.7741787203664369
Energy: 0.8366057649320169
Energy: 0.7732705937170647
Energy: 0.9288280170280572
Energy: 0.7467561000101826
Energy: 0.9288280170280572
Energy: 0.768291172319812
Energy: 0.8810865425183884
Energy: 0.7723356445613905
Energy: 0.8810865425195896
Energy: 0.7735852403037817
Energy: 0.8384697582898117
Energy: 0.7758636321141382
Energy: 0.8384697582898117
Energy: 0.769271945561842
Energy: 0.8362229397902299
Energy: 0.7675395532313821
Energy: 0.8362229397902299

minimum gb energy = 0.740637466222406 eV
minimum distance =  2.33533303801113 Angstroms
sigma value = 25


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

Energy: 0.8950168553781082
Energy: 0.7175904397723118
Energy: 1.2364635457262956
Energy: 0.7175904397723118
Energy: 1.3771013156575462
Energy: 0.7262166791495511
Energy: 0.7057586553740407
Energy: 0.7262166791505109
Energy: 0.8530170498021155
Energy: 0.7156536397030436
Energy: 0.9225109248884049
Energy: 0.7156536397030436
Energy: 1.0429819986814122
Energy: 0.7430802489502333
Energy: 0.70656438982842
Energy: 0.7430802489511932
Energy: 0.7199561364553475
Energy: 0.7264416499201667
Energy: 0.68854357705671
Energy: 0.7264416499201667
Energy: 0.7874935104496873
Energy: 0.7156273713454491
Energy: 0.7209882734004006
Energy: 0.7156273713473688
Energy: 0.7058957124801074
Energy: 0.7003062094952794
Energy: 1.0444181715557381
Energy: 0.7003062094962393
Energy: 0.6585942006404607
Energy: 0.7542792223951308
Energy: 0.8408055844181933
Energy: 0.7542792223941709
Energy: 0.7050989140229041
Energy: 0.7300944119909157
Energy: 1.2643477252368787
Energy: 0.7300944119909157
Energy: 0.6674982869194005
Energy: 0.7003157821597195
Energy: 0.7564330992666498
Energy: 0.7003157821587594
Energy: 0.705481762979982
Energy: 0.7002421952201316
Energy: 1.1671935151538009
Energy: 0.7002421952191719
Energy: 0.974496478499514
Energy: 0.8244735633593204
Energy: 0.841236741332869
Energy: 0.8244735633593204
Energy: 0.7073857965273602
Energy: 0.7427262761638056
Energy: 1.055119184539429
Energy: 0.7427262761647654
Energy: 0.9995017466312266
Energy: 0.9976787885319125
Energy: 0.7207340207330193
Energy: 0.9976787885319125
Energy: 0.7208967771151467
Energy: 0.7007179209713598
Energy: 0.7942658288763742
Energy: 0.7007179209713598
Energy: 1.1033783088977962
Energy: 0.8249371421659081
Energy: 0.7076059665624148
Energy: 0.8249371421889445
Energy: 0.8369425630836639
Energy: 0.7536446000535152
Energy: 0.659072191048442
Energy: 0.7536446000535152
Energy: 1.0963401600708989
Energy: 0.7264518503617794
Energy: 0.7060398930102598
Energy: 0.7264518503617794
Energy: 0.8962154436228222
Energy: 0.7151296240102175
Energy: 0.6732683166719012
Energy: 0.7151296240083415
Energy: 1.2721324906597753
Energy: 0.8284246998643372
Energy: 0.7074383871583081
Energy: 0.828424699865297
Energy: 0.8421589820837643
Energy: 1.0440886258086068
Energy: 0.6579144512193464
Energy: 1.044088625807647
Energy: 0.8350225244002811
Energy: 0.7430854581415066
Energy: 0.7102928400882602
Energy: 0.7430854581415066
Energy: 0.7241164531567994
Energy: 0.7011049675535856
Energy: 0.9980918867171741
Energy: 0.7011049675535856
Energy: 0.8011719887087456
Energy: 0.8280815659904761
Energy: 0.7240967256896277
Energy: 0.8280815659904761
Energy: 0.7084470979557805
Energy: 0.8241693394073039
Energy: 1.1016570094885267
Energy: 0.8241693394063441
Energy: 0.6713871119186117
Energy: 0.754047766155289
Energy: 0.8390075298162806
Energy: 0.7540477661543291

minimum gb energy = 0.6579144512193464 eV
minimum distance =  2.33925483648269 Angstroms
sigma value = 41


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

Energy: 1.0388853177691177
Energy: 0.6458497604460425
Energy: 0.7372920022096721
Energy: 0.6458497604460425
Energy: 1.3483552456335721
Energy: 0.6278996192997888
Energy: 0.6143681347379857
Energy: 0.6278996192997888
Energy: 0.645975396422738
Energy: 0.6124318246672877
Energy: 0.5817007537393566
Energy: 0.6124318246672877
Energy: 1.0149273509715018
Energy: 0.6283984617271114
Energy: 0.6145823422413461
Energy: 0.6283984617263244
Energy: 0.6119273185728756
Energy: 0.6658000351894136
Energy: 0.5960687312532599
Energy: 0.6658000351902004
Energy: 0.7986586795321087
Energy: 0.6279198163188107
Energy: 0.6142833499573878
Energy: 0.6279198163188107
Energy: 0.6137509261491365
Energy: 0.6284972537619608
Energy: 0.884894545301496
Energy: 0.6284972537627476
Energy: 0.6027581302305131
Energy: 0.64606523316236
Energy: 0.6124435077626268
Energy: 0.6460652331631468
Energy: 0.6159878221296503
Energy: 0.646171419849758
Energy: 1.0808991565843167
Energy: 0.6461714198489711
Energy: 0.6000225219293087
Energy: 0.6118831387798904
Energy: 0.6465128988853794
Energy: 0.6118831387798904
Energy: 0.6138105639935704
Energy: 0.6288456130124934
Energy: 1.185898689708546
Energy: 0.6288456130117065
Energy: 0.6032028451275993
Energy: 0.6455595956324972
Energy: 1.037074078992923
Energy: 0.645559595634071
Energy: 0.6159437090866522
Energy: 0.6476730312458027
Energy: 1.1853884017836402
Energy: 0.6476730312458027
Energy: 0.858358092106947
Energy: 0.7095738772413226
Energy: 0.6464734352211171
Energy: 0.7095738772405357
Energy: 0.6140251440048927
Energy: 0.6285226372293894
Energy: 1.0127017419371067
Energy: 0.6285226372278155
Energy: 0.8633903659135712
Energy: 0.6451210580024617
Energy: 0.6124563092780101
Energy: 0.6451210580040355
Energy: 0.6158886580327724
Energy: 0.6462527849784918
Energy: 0.9055918454507644
Energy: 0.6462527849800657
Energy: 0.856392916440231
Energy: 0.7107810188009497
Energy: 0.6144015370946176
Energy: 0.7107810188025235
Energy: 0.6139498471434527
Energy: 0.6457792552429429
Energy: 0.5999830031531768
Energy: 0.6457792552429429
Energy: 0.8784145714445455
Energy: 0.6451516645103266
Energy: 0.6187589465693859
Energy: 0.6451516645103266
Energy: 0.6483591693929083
Energy: 0.6466966224670196
Energy: 0.5877528910339717
Energy: 0.6466966225503974
Energy: 1.1861873372407428
Energy: 0.6665592800401459
Energy: 0.6145081488125586
Energy: 0.666559280038572
Energy: 1.034339349861332
Energy: 0.6455958725476002
Energy: 0.600359166721592
Energy: 0.6455958725476002
Energy: 1.044463167793365
Energy: 0.6471539460564075
Energy: 0.6186613716928298
Energy: 0.6471539460579813
Energy: 0.648730617881851
Energy: 0.7073978957274307
Energy: 0.5895278166368308
Energy: 0.7073978957274307
Energy: 1.0128309955942951
Energy: 1.171416906487211
Energy: 0.6147074646306713
Energy: 1.171416906487211
Energy: 0.6143035374588985
Energy: 0.6451875769372915
Energy: 0.8615796468748841
Energy: 0.6451875769365043
Energy: 0.6289681885917299
Energy: 0.6470654704788248
Energy: 0.6184459176725151
Energy: 0.6470654704693817
Energy: 0.6162768919118797
Energy: 0.7080788400165983
Energy: 0.8540944093723574
Energy: 0.7080788400165983
Energy: 0.5977293698663856
Energy: 0.94834964622058
Energy: 0.6164404904157962
Energy: 0.9483496462190063
Energy: 0.6184211184523988
Energy: 0.6453282932070006
Energy: 0.8767036319651972
Energy: 0.6453282932077874
Energy: 0.6016430420962884
Energy: 0.6471103386493108
Energy: 0.6518622777654711
Energy: 0.6471103386493108

minimum gb energy = 0.5817007537393566 eV
minimum distance =  2.33503495640872 Angstroms
sigma value = 15


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

Energy: 0.9386746674134435
Energy: 0.5756563335275039
Energy: 0.8725111019711231
Energy: 0.5756563335268373
Energy: 1.3405784884419685
Energy: 0.5726585714237072
Energy: 0.5737938774945839
Energy: 0.5726585714190409
Energy: 0.5996656334320007
Energy: 0.5723395834169793
Energy: 0.529786640890484
Energy: 0.5723395834143127
Energy: 1.049722783211474
Energy: 0.572854495155984
Energy: 0.5739067785828896
Energy: 0.5728544951566505
Energy: 0.5718625674790361
Energy: 0.6284643353990741
Energy: 0.9016836515912138
Energy: 0.6284643345768139
Energy: 0.9028404795845867
Energy: 0.5727431299171781
Energy: 0.5737196187673889
Energy: 0.5727431299211779
Energy: 0.5736049777435893
Energy: 0.5860384752096301
Energy: 0.5580528794331573
Energy: 0.5860384752109634
Energy: 0.7289284448468415
Energy: 0.585679227621456
Energy: 0.57383451191467
Energy: 0.585679227621456
Energy: 0.5749208120951917
Energy: 0.587364392136624
Energy: 0.7361967051380117
Energy: 0.5873643921339573
Energy: 0.5503800042369944
Energy: 0.5726809563810706
Energy: 0.5724832672173001
Energy: 0.5726809563810706
Energy: 0.5735770112407228
Energy: 0.5725508199633105
Energy: 1.0471849296059628
Energy: 0.5725508199733098
Energy: 0.5444119494144466
Energy: 0.5721244187789188
Energy: 0.6001256113012038
Energy: 0.5721244187802521
Energy: 0.574981325761376
Energy: 0.5875612622884372
Energy: 1.198582917163037
Energy: 0.587561261008383
Energy: 0.5484566287706858
Energy: 0.5733701220846177
Energy: 0.9352112862272126
Energy: 0.5733701220759515
Energy: 0.5734659173125165
Energy: 0.5725380077677572
Energy: 1.1970516338085486
Energy: 0.572538007771757
Energy: 0.775562612322278
Energy: 0.5720091403016071
Energy: 0.6002167620976225
Energy: 0.5720091403016071
Energy: 0.5749997275097712
Energy: 0.5868195278021319
Energy: 1.0466480538991545
Energy: 0.586819527800132
Energy: 0.7753052943801686
Energy: 0.626128094694563
Energy: 0.5722888457464617
Energy: 0.6261280947138953
Energy: 0.57375117187354
Energy: 0.5727963445399195
Energy: 0.9061900555340979
Energy: 0.5727963445405861
Energy: 0.7695765585311197
Energy: 0.5718997066317884
Energy: 0.5740494753912503
Energy: 0.5718997066331217
Energy: 0.5748536868862778
Energy: 0.6000072896554606
Energy: 0.7297000533143211
Energy: 0.6000072896401282
Energy: 0.7855493623405909
Energy: 0.5862693082937529
Energy: 0.5768095121068769
Energy: 0.5862693083004192
Energy: 0.5735890998488438
Energy: 0.572660396908
Energy: 0.5477232387067911
Energy: 0.5726603969126663
Energy: 1.0970861795093292
Energy: 0.5717392220015936
Energy: 0.5737994057438439
Energy: 0.571739222437389
Energy: 0.6014345353323678
Energy: 0.6064152305213818
Energy: 0.5390706078836801
Energy: 0.6064152304920499
Energy: 1.0692006734147799
Energy: 0.5861227978455565
Energy: 0.5766740657694086
Energy: 0.5861227978422233
Energy: 0.9334034291537299
Energy: 0.5727850537297133
Energy: 0.547812925850601
Energy: 0.5727850537290468
Energy: 1.1938501779334814
Energy: 0.5725324849217903
Energy: 0.5738415573953127
Energy: 0.5725324849197905
Energy: 0.6013439564239811
Energy: 0.6552811476346703
Energy: 0.5397021607414638
Energy: 0.6552811475454021
Energy: 0.9227408287135986
Energy: 0.5864366395093554
Energy: 0.5769261254860762
Energy: 0.5864366395113553
Energy: 0.5734719568059498
Energy: 0.6257202291287779
Energy: 0.7729097092436
Energy: 0.6257202292947087
Energy: 0.901616204987774
Energy: 0.5723400064276455
Energy: 0.5737732403134558
Energy: 0.5723400064289786
Energy: 0.5748428081980953
Energy: 0.6547782812579268
Energy: 0.7677855524806437
Energy: 0.6547782812559269
Energy: 0.5649615457540859
Energy: 0.599609001731776
Energy: 0.5767547515323763
Energy: 0.5996090017884398
Energy: 0.5522347077062492
Energy: 0.6276273410151775
Energy: 0.7833491916658409
Energy: 0.6276273409778461
Energy: 0.5483747178293654
Energy: 0.5722482950008483
Energy: 0.5753788473755596
Energy: 0.5722482949975151
Energy: 0.5751010349901908
Energy: 0.6530696429405799
Energy: 1.0946791746319033
Energy: 0.653069642941913

minimum gb energy = 0.529786640890484 eV
minimum distance =  2.34110214598505 Angstroms
sigma value = 85


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

Energy: 0.9569450445709698
Energy: 0.5755416780378372
Energy: 1.0821675716876795
Energy: 0.5755416944442526
Energy: 1.3896297773968365
Energy: 0.5603754315848587
Energy: 0.5212684253671191
Energy: 0.560375431586015
Energy: 0.9233163477184562
Energy: 0.5719394500973342
Energy: 0.6883261338682267
Energy: 0.5719394500984906
Energy: 1.11876978748942
Energy: 0.5611117763468713
Energy: 0.5210294720364795
Energy: 0.5611117763480276
Energy: 0.6444723368471666
Energy: 0.531812544886748
Energy: 0.4888329700040178
Energy: 0.531812544886748
Energy: 0.9848670995785318
Energy: 0.5738706709696363
Energy: 0.5212429874890077
Energy: 0.5738706709696363
Energy: 0.6052824792382658
Energy: 0.5794755533119509
Energy: 0.5746203856518189
Energy: 0.5794755533113727
Energy: 0.8510042476415528
Energy: 0.5595887248161938
Energy: 0.5318714397171482
Energy: 0.5595887248167719
Energy: 0.5314031637831612
Energy: 0.5395276271497025
Energy: 0.7397012504205343
Energy: 0.5395276271497025
Energy: 0.704487290147218
Energy: 0.5728278660352542
Energy: 0.6046636429724919
Energy: 0.5728278660346758
Energy: 0.5217886956693539
Energy: 0.5600354622774595
Energy: 1.0595206070747119
Energy: 0.560035462275725
Energy: 0.5383046866380334
Energy: 0.5593613133701321
Energy: 0.6434149723974376
Energy: 0.5593613133684238
Energy: 0.5208423886780047
Energy: 0.5396755559726005
Energy: 1.1206975716969017
Energy: 0.5396755559731786
Energy: 0.4538391788659349
Energy: 0.5732793413168102
Energy: 0.9205042360743276
Energy: 0.5732793413150756
Energy: 0.5219665782166851
Energy: 0.56064185124265
Energy: 1.2546126293008275
Energy: 0.5606418512438065
Energy: 0.4573511810969023
Energy: 0.5594389399812201
Energy: 0.8872147216787786
Energy: 0.5594389399817982
Energy: 0.5210307154721707
Energy: 0.5406554167596107
Energy: 1.1871212753988067
Energy: 0.5406554167596107
Energy: 0.6649438291111671
Energy: 0.5708206789712287
Energy: 0.9207057255107496
Energy: 0.5708206790191905
Energy: 0.5219677294265139
Energy: 0.5611885692801971
Energy: 1.1187075757172416
Energy: 0.5611885692807753
Energy: 0.6682016863624477
Energy: 0.5599651879575098
Energy: 0.6431095036011655
Energy: 0.5599651879534625
Energy: 0.5215851737257885
Energy: 0.5504674604346442
Energy: 0.9843385528996981
Energy: 0.5504674604340661
Energy: 0.7414481474345841
Energy: 0.5592900303603877
Energy: 0.6047460694140456
Energy: 0.5592900303598095
Energy: 0.5330730688451694
Energy: 0.5597161112634177
Energy: 0.8513938611392811
Energy: 0.5597161112628395
Energy: 0.769293007017107
Energy: 0.5796402886369244
Energy: 0.5320518014889205
Energy: 0.5796402886375026
Energy: 0.6050756315385484
Energy: 0.5595378100056791
Energy: 0.7038745514825833
Energy: 0.5595378100062572
Energy: 1.0385352994280437
Energy: 0.5593430392582722
Energy: 0.523274446177071
Energy: 0.559343039257694
Energy: 0.6437341675289159
Energy: 0.5593334687732925
Energy: 0.5404627888171517
Energy: 0.5593334687738706
Energy: 1.0600262217172889
Energy: 0.5793736760464812
Energy: 0.5211078985467426
Energy: 0.5793736760476375
Energy: 0.9198992589149382
Energy: 0.5705064002742627
Energy: 0.453987347487996
Energy: 0.5705064002655901
Energy: 1.2620895708057458
Energy: 0.5597222277791043
Energy: 0.523342583747441
Energy: 0.5597222277791043
Energy: 0.9534851569542216
Energy: 0.5706882986842278
Energy: 0.45695194708590264
Energy: 0.5706882989281108
Energy: 1.1600653629228168
Energy: 0.5795801820630636
Energy: 0.5215276839823962
Energy: 0.5795801820653762
Energy: 0.9198460958445622
Energy: 0.5706339697342229
Energy: 0.450490778730677
Energy: 0.5706339697330665
Energy: 1.1245426619165664
Energy: 0.5595271086193357
Energy: 0.5232864745065706
Energy: 0.5595271086187575
Energy: 0.6439029787918494
Energy: 0.5594313177740723
Energy: 0.6682220803493634
Energy: 0.5594313179185625
Energy: 0.8809055315447344
Energy: 0.5896855275915631
Energy: 0.5226959755841223
Energy: 0.5896855275591856
Energy: 0.6051131125534857
Energy: 0.5593292141609809
Energy: 0.746666968703461
Energy: 0.5593292141621373
Energy: 0.85106146361427
Energy: 0.5596856522286859
Energy: 0.534770395651672
Energy: 0.5596856522292641
Energy: 0.5331282625421351
Energy: 0.7891688323236733
Energy: 0.769412261948307
Energy: 0.7891688323230951
Energy: 0.5685559451712915
Energy: 0.5993814944292358
Energy: 0.6064880577161864
Energy: 0.5993814944286575
Energy: 0.525224339259215
Energy: 0.5592681528935518
Energy: 1.0372710769316238
Energy: 0.5592681528941299
Energy: 0.5405220192117197
Energy: 0.559282817509577
Energy: 0.6453930889131109
Energy: 0.5592828175078425
Energy: 0.5220991675289118
Energy: 0.788844853798157
Energy: 1.0596925053491917
Energy: 0.7888448537964226

minimum gb energy = 0.450490778730677 eV
minimum distance =  2.29279608982719 Angstroms
sigma value = 113


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

Energy: 0.018594403163758197
Energy: 0.019037643162663483
Energy: 0.7432632695520054
Energy: 0.019037643163107947
Energy: 0.7432724814425492
Energy: -0.5190466663507644
Energy: -0.5189300860458387
Energy: -0.5190466663512089
Energy: 0.018594403163758197
Energy: 0.019037643162663483
Energy: 0.7432640051860181
Energy: 0.019037643163107947
Energy: 0.7432724814429937
Energy: -0.5190466663512089
Energy: -0.5189300860453943
Energy: -0.5190466663524929
Energy: 0.018594403163758197
Energy: 0.019037643162663483
Energy: 0.7432581670548551
Energy: 0.019037643163107947
Energy: 0.7432724814429937
Energy: -0.5190466663516039
Energy: -0.5189300860449497
Energy: -0.5190466663512089

minimum gb energy = -0.5190466663524929 eV
minimum distance =  2.46812762523317 Angstroms
sigma value = 1