Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.814778730273247
cohesive_energy=4.122774919192733
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.6453028673205795e-20, 1.60445172482028e-19, 2.52264313199934e-19, 3.2364769095116995e-19, 3.8144941737598795e-19, 4.2795259417783796e-19, 4.65050994138108e-19, 4.947040792801799e-19, 5.1925743619623e-19, 5.4028600451748e-19, 5.586453465664859e-19, 5.7477285656433e-19, 5.889184740659159e-19, 6.0124401891127795e-19, 6.12153239612184e-19, 6.21977786731872e-19, 6.30943567175736e-19, 6.39081022299822e-19, 6.461273951361539e-19, 6.517910895373439e-19, 6.55905479133456e-19, 6.585763075823339e-19, 6.600390948491761e-19, 6.604893064833299e-19, 6.600455035557119e-19, 6.58683653416812e-19, 6.562916037022501e-19, 6.523967123049959e-19, 6.462956236827239e-19, 6.371455929259499e-19, 6.2397570099447e-19, 6.0583906149759e-19, 5.82360765102954e-19, 5.53500757394712e-19, 5.19166112128092e-19, 4.79223848642472e-19, 4.32826415498466e-19, 3.77695517522526e-19, 3.1111065879011996e-19, 2.29394843926218e-19, 1.255875767620704e-19, -1.4946241187362138e-20, -2.57242276001772e-19, -5.858278753389299e-19, -1.0446335849577058e-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: 0.0 eV

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

Energy: 0.013112598817203459
Energy: 0.013199519646944864
Energy: 1.7811991100776283
Energy: 0.9821090440727339
Energy: 0.013199519646944864
Energy: 0.21266336078652215
Energy: 0.9831921685114068
Energy: 0.21266336078652215
Energy: 1.7811991164070904
Energy: 0.9831921684810891
Energy: 1.7893122041427685
Energy: 0.9831921685154588
Energy: 0.9821090439524117
Energy: 0.21266336078548762
Energy: 0.9831921684881586
Energy: 0.21266336078652215

minimum gb energy = 0.013112598817203459 eV
minimum distance =  2.39391988852607 Angstroms
sigma value = 1


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

Energy: 2.4435940722651295
Energy: 1.0125648915498389
Energy: 0.9349958291080066
Energy: 0.933717125965742
Energy: 1.4870172337922212
Energy: 0.9339011590186623
Energy: 0.9343796462558865
Energy: 0.9339011590174076
Energy: 1.466040495739178
Energy: 0.9505673458753605
Energy: 0.9388899092955533
Energy: 0.9505673458741057
Energy: 1.473180431976593
Energy: 0.9343482719857699
Energy: 0.9336617432469098
Energy: 0.9343482719857699
Energy: 1.5309629585964237
Energy: 1.0197175861197758
Energy: 1.2629257038575867
Energy: 1.0197175861210306
Energy: 1.4723568206600468
Energy: 0.9365929390014426
Energy: 1.1899027017966817
Energy: 0.936592939000188
Energy: 1.4829632015926193
Energy: 0.9491918995599399
Energy: 1.2110747511454254
Energy: 0.9491918995537233
Energy: 1.4717324408757388
Energy: 0.9364518963200158
Energy: 1.188378964824876
Energy: 0.9364518963225251
Energy: 1.3556203218726206
Energy: 0.9370753307915638
Energy: 1.1875039698873067
Energy: 0.9370753307928185
Energy: 1.4720191793065411
Energy: 1.0198299925622862
Energy: 1.468047868853021
Energy: 1.0198299925673047
Energy: 1.486507274843281
Energy: 0.9373036651949506
Energy: 1.4409161635177037
Energy: 0.9373036651999692
Energy: 1.1868425279248505
Energy: 0.9376673056006042
Energy: 1.4716917644162837
Energy: 0.9376673055980949
Energy: 1.2040351298995318
Energy: 1.0044299392028626
Energy: 1.4835040042225496
Energy: 1.0044299392016076
Energy: 1.1894842282714884
Energy: 0.9382233883612778
Energy: 1.466824213021302
Energy: 0.9382233883562591
Energy: 1.1847271571983558
Energy: 0.9297093168627519
Energy: 1.466652364403246
Energy: 0.9297093168627519
Energy: 0.9333198041866194
Energy: 0.9348864713613818
Energy: 1.4410775619230989
Energy: 0.9348864713638911
Energy: 0.9381041019728479
Energy: 0.9510115324300465
Energy: 1.466225976898175
Energy: 0.9510115324287918
Energy: 0.9337551752286684
Energy: 0.9343561792797477
Energy: 1.4720309913929437
Energy: 0.934356179278493
Energy: 0.9387544350178983
Energy: 0.9383375256605727
Energy: 1.4609533732685362
Energy: 0.9383375256568087
Energy: 1.0188095647947026
Energy: 0.934822471219302
Energy: 1.473160729285299
Energy: 0.9348224712180474
Energy: 1.0231668906438924
Energy: 0.9505333287862682
Energy: 1.4700249508289034
Energy: 0.9505333287887777
Energy: 1.0197678226515208
Energy: 0.9363940491618975
Energy: 1.3590634826812966
Energy: 0.9363940491618975
Energy: 1.0203430215084728
Energy: 0.9306265009250451
Energy: 1.5307299748478604
Energy: 0.9306265009175171
Energy: 1.3571157524011508
Energy: 0.9499218342790958
Energy: 1.4679010852748091
Energy: 0.9499218342802936
Energy: 1.3573587434136625
Energy: 1.0210990085292735
Energy: 1.4710247896893114
Energy: 1.0210990085280187
Energy: 1.3570656465691284
Energy: 1.0188048957618394
Energy: 1.3572064423436139
Energy: 1.0188048957643487
Energy: 1.3574091602327059
Energy: 1.017284204758213
Energy: 1.3578030544878028
Energy: 1.0172842047544488
Energy: 1.4739847341489574
Energy: 0.9491146332871493
Energy: 1.3587104606586982
Energy: 0.94911463328464
Energy: 1.4881564811604235
Energy: 0.930315968038181
Energy: 1.362935497225483
Energy: 0.9303159680369263
Energy: 1.486833114553047
Energy: 0.9296720530949748
Energy: 1.0186954897595262
Energy: 0.9296720530949748
Energy: 1.4698428902812795
Energy: 0.9489876747707235
Energy: 1.0470806878426158
Energy: 0.9489876747769971
Energy: 1.4717911397736172
Energy: 0.9301900558569954
Energy: 1.019465743275569
Energy: 0.9301900558569954
Energy: 1.4397812944535622
Energy: 0.9396603778126612
Energy: 1.0245950215289763
Energy: 0.9396603778088971

minimum gb energy = 0.9296720530949748 eV
minimum distance =  2.26471918099516 Angstroms
sigma value = 1


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

Energy: 2.7346950275917896
Energy: 1.0481648948633326
Energy: 0.9746130119702424
Energy: 0.9735931951690886
Energy: 1.3288800018086586
Energy: 0.973572760467068
Energy: 0.9745762301812231
Energy: 0.9735727604727903
Energy: 1.3719595186992455
Energy: 0.9916764619438564
Energy: 0.979180035599396
Energy: 0.9916764619438564
Energy: 1.5234197382407912
Energy: 0.9740253464619333
Energy: 0.9746084535554572
Energy: 0.9740253464605028
Energy: 1.5171595485793197
Energy: 1.1613752378328928
Energy: 1.1613610022752359
Energy: 1.1613752378557816
Energy: 1.523286746708991
Energy: 0.9739296672704485
Energy: 1.1678486226158948
Energy: 0.9739296672704485
Energy: 1.3696635583468335
Energy: 1.0764717124296301
Energy: 1.1848957516998324
Energy: 1.0764717124267693
Energy: 1.5232731226524885
Energy: 0.977835842149924
Energy: 1.1588430321424015
Energy: 0.977835842149924
Energy: 1.5233342239234153
Energy: 0.979029129121923
Energy: 1.3746290403148491
Energy: 0.9790291275976478
Energy: 1.5276769548827507
Energy: 1.0792832051454713
Energy: 1.5246230345816725
Energy: 1.0792832051454713
Energy: 1.3698965290006078
Energy: 0.9790882465956701
Energy: 1.3289019445163166
Energy: 0.9790882465827951
Energy: 1.158457528490565
Energy: 0.9787204930541215
Energy: 1.3277578421034324
Energy: 0.9787204930669963
Energy: 1.1841545790536212
Energy: 1.0787482879677495
Energy: 1.3737208156910228
Energy: 1.0787482879434303
Energy: 1.1580941692991538
Energy: 0.9788808407026445
Energy: 1.5230027378347846
Energy: 0.9788808406854779
Energy: 1.1601886175719953
Energy: 0.9791792435967949
Energy: 1.3281757576641915
Energy: 0.9791792435982253
Energy: 0.9757439565906915
Energy: 0.9739263401156801
Energy: 1.6894297284056468
Energy: 0.9739263401156801
Energy: 0.9791000987000066
Energy: 0.991008618139265
Energy: 1.368709846611657
Energy: 0.9910086181406955
Energy: 0.9748426815907847
Energy: 0.9743829620344887
Energy: 1.5231150879357216
Energy: 0.9743829620344887
Energy: 0.9794791331094577
Energy: 0.978904684069837
Energy: 1.5164148687373329
Energy: 0.9789046840712676
Energy: 1.157719152809623
Energy: 0.9735660632060245
Energy: 1.5228548046773085
Energy: 0.9735660631974412
Energy: 1.158350840676866
Energy: 1.0780172909213968
Energy: 1.3707892898281304
Energy: 1.0780172909943218
Energy: 1.1598926060042518
Energy: 0.9787750608555489
Energy: 1.523339069606499
Energy: 0.9787750608541184
Energy: 1.1593551605722414
Energy: 0.9801300819953582
Energy: 1.5231973030530075
Energy: 0.9801300819710717
Energy: 1.5224569353328823
Energy: 1.0774109509623087
Energy: 1.5234478841437502
Energy: 1.0774109509594476
Energy: 1.328111127079715
Energy: 0.9788561898598145
Energy: 1.3726810302989125
Energy: 0.9788561899370313
Energy: 1.3283435319693018
Energy: 0.9802294249460236
Energy: 1.1578535105731855
Energy: 0.9802294249474541
Energy: 1.52229363998833
Energy: 1.080491424603185
Energy: 1.1843494496799367
Energy: 1.0804914268181194
Energy: 1.3742535490847367
Energy: 0.9777245124248911
Energy: 1.157994380936751
Energy: 0.9777245124349049
Energy: 1.3308932123585704
Energy: 0.9799727085805584
Energy: 1.1614307999901916
Energy: 0.9799727085776974

minimum gb energy = 0.9735660631974412 eV
minimum distance =  2.26496560365669 Angstroms
sigma value = 25


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

Energy: 2.537271183638737
Energy: 1.083217784388112
Energy: 1.0380022103308457
Energy: 1.0383564381327755
Energy: 1.3889574143413905
Energy: 1.0303531488626583
Energy: 1.0304069639137168
Energy: 1.0303531488626583
Energy: 1.4485855618659709
Energy: 1.0615144386383284
Energy: 1.0439628886368166
Energy: 1.0615144386366653
Energy: 1.456263613656881
Energy: 1.0436210874801062
Energy: 1.037223482870002
Energy: 1.043621087481769
Energy: 1.5166783411048783
Energy: 1.031482908370915
Energy: 1.3197557525068333
Energy: 1.0314829083975225
Energy: 1.4709493438057506
Energy: 1.0435954615188348
Energy: 1.3264595979429623
Energy: 1.0435954615172096
Energy: 1.3266748284913146
Energy: 1.1278612769475982
Energy: 1.3269444625644191
Energy: 1.127861276950924
Energy: 1.3273611540894181
Energy: 1.1037395518616304
Energy: 1.3277928549426934
Energy: 1.1037395518616304
Energy: 1.3813279677146573
Energy: 1.1271255650658716
Energy: 1.3269025448936222
Energy: 1.1271255650658716
Energy: 1.3261634619882041
Energy: 1.0389643956900467
Energy: 1.4705468921414169
Energy: 1.0389643956933727
Energy: 1.3264572496048934
Energy: 1.0324445900817973
Energy: 1.6198801189419296
Energy: 1.0324445900817973
Energy: 1.037500156618344
Energy: 1.0478364222920369
Energy: 1.6204224256569715
Energy: 1.0478364222936998
Energy: 1.0507461185327958
Energy: 1.050333541874183
Energy: 1.4497760076946584
Energy: 1.0503335418758462
Energy: 1.0309058660438892
Energy: 1.031512761853057
Energy: 1.3155175863348054
Energy: 1.031512761853057
Energy: 1.048559208694037
Energy: 1.04519214633856
Energy: 1.5156653631554193
Energy: 1.04519214633856
Energy: 1.1386141941014094
Energy: 1.0320812712693646
Energy: 1.5161144543106266
Energy: 1.0320812712693646
Energy: 1.1382394317050044
Energy: 1.0439838713626701
Energy: 1.4491102926700408
Energy: 1.0439838713626701
Energy: 1.1589464774211822
Energy: 1.0441360509858275
Energy: 1.5245765870093901
Energy: 1.0441360509874904
Energy: 1.1386010094811867
Energy: 1.0317887163065815
Energy: 1.5166103303005234
Energy: 1.0317887163032555
Energy: 1.4714533104626246
Energy: 1.1644775098893376
Energy: 1.5101425046256456
Energy: 1.1644775098893376
Energy: 1.4152822001778609
Energy: 1.0310822146178347
Energy: 1.4709412999971125
Energy: 1.0310822146161718
Energy: 1.4157022737504652
Energy: 1.0301815815941846
Energy: 1.1397793806209155
Energy: 1.0301815815941846
Energy: 1.5205254028810198
Energy: 1.0710189210118062
Energy: 1.2067276056849705
Energy: 1.071018921013469
Energy: 1.3267905095280537
Energy: 1.030234216423163
Energy: 1.1384001590128314
Energy: 1.030234216423163
Energy: 1.6171038574487224
Energy: 1.0450791322500965
Energy: 1.1576539744409977
Energy: 1.0450791322517594

minimum gb energy = 1.0301815815941846 eV
minimum distance =  2.25948464198893 Angstroms
sigma value = 9


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

Energy: 2.205050316779849
Energy: 1.1159696988736012
Energy: 1.0867192600953723
Energy: 1.0870884317999396
Energy: 1.4502236857582251
Energy: 1.0865085390645157
Energy: 1.0858663887900082
Energy: 1.0865085390651246
Energy: 1.457867890271086
Energy: 1.0865783029231515
Energy: 1.08627517620554
Energy: 1.0865783029227456
Energy: 1.4600290871056691
Energy: 1.0861571949437534
Energy: 1.0863576595882187
Energy: 1.0861571949431672
Energy: 1.6685199660138597
Energy: 1.109588773468571
Energy: 1.0881652317736348
Energy: 1.109588773468188
Energy: 1.4599604361138971
Energy: 1.317460504418688
Energy: 1.287106121974541
Energy: 1.317460504419477
Energy: 1.4568038431540014
Energy: 1.2166937635805914
Energy: 1.1161633314135697
Energy: 1.2166937635800052
Energy: 1.2882692336970643
Energy: 1.1797774168286808
Energy: 1.288646208822511
Energy: 1.179777416828884
Energy: 1.2890085907891713
Energy: 1.2164133590525137
Energy: 1.28967608511546
Energy: 1.2164133590515216
Energy: 1.289118400546225
Energy: 1.1133537211585387
Energy: 1.4577641670199943
Energy: 1.1133537211533766
Energy: 1.299857178951809
Energy: 1.1092077940711624
Energy: 1.4496960003002695
Energy: 1.1092077940709821
Energy: 1.0886560828567855
Energy: 1.0857740738295756
Energy: 1.4513232036650652
Energy: 1.0857740738299588
Energy: 1.1098170481864715
Energy: 1.109898039535073
Energy: 1.457770558961519
Energy: 1.109898039535276
Energy: 1.0858779722486174
Energy: 1.0864850958242755
Energy: 1.4589391289111258
Energy: 1.0864850958250645
Energy: 1.107733845708432
Energy: 1.1091170707040436
Energy: 1.2799639666929905
Energy: 1.1091170707030513
Energy: 1.288141833847868
Energy: 1.1815137312338613
Energy: 1.4598907449982563
Energy: 1.1815137312318775
Energy: 1.0685494563784166
Energy: 1.1800580429505239
Energy: 1.4573996062772845
Energy: 1.1800580429505239
Energy: 1.0679702190059945
Energy: 1.1814543719237138
Energy: 1.287575110068247
Energy: 1.1814543719239168
Energy: 1.2885691900319538
Energy: 1.2170685447233571
Energy: 1.2884706372896544
Energy: 1.2170685447251606
Energy: 1.4612132419748403
Energy: 1.109368267600457
Energy: 1.2882764487020253
Energy: 1.1093682676016519
Energy: 1.4500807374715254
Energy: 1.1123324200350249
Energy: 1.299793390048542
Energy: 1.1123324200348446

minimum gb energy = 1.0679702190059945 eV
minimum distance =  2.25793032623489 Angstroms
sigma value = 25


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

Energy: 1.874990044820775
Energy: 1.1682409309714725
Energy: 1.4265113427480731
Energy: 1.4260750240859554
Energy: 1.378248301715325
Energy: 1.1691638526982782
Energy: 1.168543511871348
Energy: 1.1691638526972747
Energy: 1.3635207255454012
Energy: 1.2077932141370342
Energy: 1.1939320645616827
Energy: 1.207793214137536
Energy: 1.3869568237404815
Energy: 1.1968132350827616
Energy: 1.1916310838976032
Energy: 1.1968132350830127
Energy: 1.550547217722744
Energy: 1.1681329257132127
Energy: 1.282237071318209
Energy: 1.1681329257139375
Energy: 1.386824726880374
Energy: 1.2357850398168393
Energy: 1.387402391104522
Energy: 1.2357850398180659
Energy: 1.3614156606333316
Energy: 1.1744134700891047
Energy: 1.3830185855630706
Energy: 1.1744134700896065
Energy: 1.1813842636537195
Energy: 1.1920527671036067
Energy: 1.3828664046175092
Energy: 1.192052767101655
Energy: 1.1918745960587898
Energy: 1.2077137276424537
Energy: 1.3861774106834897
Energy: 1.2077137276419796
Energy: 1.168698409177021
Energy: 1.1677507861711973
Energy: 1.3625247944859797
Energy: 1.1677507861704446
Energy: 1.1920175572585934
Energy: 1.1907522250818758
Energy: 1.4782942078945709
Energy: 1.1907522250820985
Energy: 1.2987471267039663
Energy: 1.16883070584101
Energy: 1.3825873853473882
Energy: 1.1688307058417349
Energy: 1.29352679847315
Energy: 1.1945128355956773
Energy: 1.3622124061593843
Energy: 1.1945128355956773
Energy: 1.3488009819429159
Energy: 1.2887399426901973
Energy: 1.2926031199450259
Energy: 1.2887399426936264
Energy: 1.2931088403279294
Energy: 1.290598960172297
Energy: 1.5580596874800772
Energy: 1.29059896017252
Energy: 1.3621937985971053
Energy: 1.1691901085522627
Energy: 1.2910541674672997
Energy: 1.1691901085527645
Energy: 1.3789731128580291
Energy: 1.1937627550597336
Energy: 1.2888627708923097
Energy: 1.1937627550619359

minimum gb energy = 1.1677507861704446 eV
minimum distance =  2.24688135811255 Angstroms
sigma value = 17


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

Energy: 2.423187908975057
Energy: 1.1678872314289501
Energy: 1.39380408221892
Energy: 1.394446190080626
Energy: 1.2702295560121248
Energy: 1.1941603941380041
Energy: 1.1995383158507618
Energy: 1.1941603941380041
Energy: 1.2917429132717364
Energy: 1.2149648161347462
Energy: 1.2069178387852129
Energy: 1.2149648161319986
Energy: 1.3639030975750275
Energy: 1.206644208352262
Energy: 1.2044989677308715
Energy: 1.20664420835362
Energy: 1.3805595375785662
Energy: 1.2705956777834633
Energy: 1.2712398625624528
Energy: 1.2705956777890213
Energy: 1.301062872660775
Energy: 1.1648033042400239
Energy: 1.2748001335109653
Energy: 1.1648033042386343
Energy: 1.2798296138197047
Energy: 1.18056716423271
Energy: 1.2793441596205422
Energy: 1.1805671642340994
Energy: 1.1617521669387327
Energy: 1.1631996005415528
Energy: 1.253523807643356
Energy: 1.1631996005498895
Energy: 1.1630630604156695
Energy: 1.1996811154290374
Energy: 1.2684716106842822
Energy: 1.1996811154290374
Energy: 1.1570653291167738
Energy: 1.1570506425306308
Energy: 1.2708464712954446
Energy: 1.1570506425306308
Energy: 1.1604304919188735
Energy: 1.1737430699471034
Energy: 1.4370298006765276
Energy: 1.1737430699471034
Energy: 1.2691023847635783
Energy: 1.1572118593683305
Energy: 1.2690897759794288
Energy: 1.1572118593683305
Energy: 1.2850814203039733
Energy: 1.1563124147616106
Energy: 1.2685464727191158
Energy: 1.1563124147630002
Energy: 1.3568049386201668
Energy: 1.189011292813377
Energy: 1.1695232165930836
Energy: 1.1890112928175451
Energy: 1.2688602363442363
Energy: 1.1568217414796178
Energy: 1.156029471213808
Energy: 1.156821741481007
Energy: 1.270554162946796
Energy: 1.1821905251572606
Energy: 1.160922983024467
Energy: 1.1821905251572606
Energy: 1.347948338270932
Energy: 1.1909935224923778
Energy: 1.1770952026731984
Energy: 1.190993522493767
Energy: 1.267769907986761
Energy: 1.1888543713464235
Energy: 1.2890877478900424
Energy: 1.1888543713478128
Energy: 1.2700211367635246
Energy: 1.2556247199215012
Energy: 1.3002174107803408
Energy: 1.2556247199201116
Energy: 1.1934174621615499
Energy: 1.2047037508218859
Energy: 1.613281770951227
Energy: 1.2047037508191067
Energy: 1.2047951513027628
Energy: 1.1996364139893423
Energy: 1.300905177109395
Energy: 1.1996364139879525
Energy: 1.2140925004823098
Energy: 1.2124731871412697
Energy: 1.2904501475459549
Energy: 1.2124731871412697
Energy: 1.201290379015563
Energy: 1.2019044543993163
Energy: 1.2675954865656225
Energy: 1.2019044544020951
Energy: 1.2513234087303
Energy: 1.1991763041170003
Energy: 1.2688925408157183
Energy: 1.1991763041170003
Energy: 1.2669128559530065
Energy: 1.213292537196143
Energy: 1.2696199466472804
Energy: 1.213292537196143
Energy: 1.3420944540497155
Energy: 1.2142119024809783
Energy: 1.3002974708623949
Energy: 1.2142119024837572
Energy: 1.340533492431328
Energy: 1.3022822480630054
Energy: 1.3500788540135886
Energy: 1.3022822480616159
Energy: 1.3015528635350218
Energy: 1.2142381152049955
Energy: 1.2942952537038783
Energy: 1.2142381152049955
Energy: 1.2697164889312114
Energy: 1.1981882656934641
Energy: 1.268800764851416
Energy: 1.1981882656934641
Energy: 1.258408781533868
Energy: 1.1994848811071157
Energy: 1.2080305199255919
Energy: 1.1994848811071157

minimum gb energy = 1.156029471213808 eV
minimum distance =  2.24281025495556 Angstroms
sigma value = 53


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

Energy: 1.0959644868701524
Energy: 1.0975546678339074
Energy: 1.2684848536742652
Energy: 1.3404732023326134
Energy: 1.1205631253807524
Energy: 1.1773939479230953
Energy: 1.1185958252919415
Energy: 1.1773939479068107
Energy: 1.1300825634489127
Energy: 1.128347928993849
Energy: 1.1246715473644313
Energy: 1.1283479290011915
Energy: 1.2301753733313405
Energy: 1.1299510902623577
Energy: 1.118822771223039
Energy: 1.1299510902841314
Energy: 1.1264511561626203
Energy: 1.174806807162408
Energy: 1.1173561784887531
Energy: 1.1748068071601907
Energy: 1.1235644472174997
Energy: 1.1291123032567558
Energy: 1.117832795970432
Energy: 1.129112303640756
Energy: 1.1182397623895455
Energy: 1.1291138158959966
Energy: 1.1034103435646136
Energy: 1.1291138158793486
Energy: 1.125006576118613
Energy: 1.1808849167926927
Energy: 1.0988641624647946
Energy: 1.1808849168035616
Energy: 1.1274519153083549
Energy: 1.1291267946743828
Energy: 1.118980893325153
Energy: 1.1291267947143315
Energy: 1.1156695270912738
Energy: 1.1205281157512152
Energy: 1.1288991153857382
Energy: 1.1205281154394424
Energy: 1.1321599547318535
Energy: 1.1754692348308073
Energy: 1.126139381850768
Energy: 1.1754692348272815
Energy: 1.1197375267683884
Energy: 1.1837093614457839
Energy: 1.1347485327147964
Energy: 1.1837093614534537
Energy: 1.0990749662596455
Energy: 1.1282134890358702
Energy: 1.1320074659674382
Energy: 1.1282134890406685

minimum gb energy = 1.0959644868701524 eV
minimum distance =  2.26503669488993 Angstroms
sigma value = 9


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

Energy: 2.0066272467310027
Energy: 1.276939631257173
Energy: 1.423400436824062
Energy: 1.4123576718935302
Energy: 1.2333095560668674
Energy: 1.2506052769467646
Energy: 1.2527283394838318
Energy: 1.2506052769479485
Energy: 1.2523923583254184
Energy: 1.2691508456954423
Energy: 1.2704944638226254
Energy: 1.2691508456954423
Energy: 1.2644568217094738
Energy: 1.3006407366094324
Energy: 1.2693947689298553
Energy: 1.3006407366118005
Energy: 1.2692204710700923
Energy: 1.2657907175865746
Energy: 1.2765586895794125
Energy: 1.2657907175865746
Energy: 1.251565237871593
Energy: 1.2748265721261312
Energy: 1.285470231150987
Energy: 1.2748265721284993
Energy: 1.257889393252567
Energy: 1.2728047800338935
Energy: 1.5179058296766579
Energy: 1.2728047800327094
Energy: 1.3289899238663334
Energy: 1.2514803468051354
Energy: 1.4909202482036747
Energy: 1.2514803468039515
Energy: 1.3828231028092803
Energy: 1.3113998725656857
Energy: 1.2187774367024684
Energy: 1.3113998725704215
Energy: 1.2980211170271174
Energy: 1.4371635251461041
Energy: 1.2238553018585407
Energy: 1.4371635251484178
Energy: 1.4191120433834714
Energy: 1.2058383639066383
Energy: 1.2056778332165738
Energy: 1.2058383639019026
Energy: 1.3330840200795238
Energy: 1.2233399146848907
Energy: 1.2003955605368313
Energy: 1.2233399146872586
Energy: 1.297093588037001
Energy: 1.204981912322534
Energy: 1.2019233626474404
Energy: 1.2049819123249021
Energy: 1.6330485204601286
Energy: 1.205579641489464
Energy: 1.3819722005401922
Energy: 1.2055796414941995
Energy: 1.2102209855157757
Energy: 1.3650687778374082
Energy: 1.3828188002470112
Energy: 1.3650687778397759
Energy: 1.2095931949546406
Energy: 1.3662852821919005
Energy: 1.609105220463365
Energy: 1.3662852821919005
Energy: 1.1866210414236005
Energy: 1.1831992211268163
Energy: 1.433170231718406
Energy: 1.1831992211256326
Energy: 1.2067853924636962
Energy: 1.2075406965332478
Energy: 1.3614447296802163
Energy: 1.20754069653088
Energy: 1.1832813950786143
Energy: 1.182517936828292
Energy: 1.3704194931396216
Energy: 1.1825179368330276
Energy: 1.2080071651740083
Energy: 1.3119888700991713
Energy: 1.8242697352230324
Energy: 1.3119888701311375
Energy: 1.373148870461
Energy: 1.1817345283663634
Energy: 1.3671322034709583
Energy: 1.1817345284243759
Energy: 1.6382364196348351
Energy: 1.1833265616565685
Energy: 1.3745225969077433
Energy: 1.1833265616601203
Energy: 1.6508382055069755
Energy: 1.1842264070804212
Energy: 1.1828080789893038
Energy: 1.184226407081605
Energy: 1.3747616974580323
Energy: 1.1973424496010574
Energy: 1.1850790859468265
Energy: 1.1973424496057932
Energy: 1.3717521538424402
Energy: 1.1824743270667106
Energy: 1.1823225556756203
Energy: 1.182474327060791
Energy: 1.4552158887559723
Energy: 1.1855227706431408
Energy: 1.2094148897020267
Energy: 1.185522770640773
Energy: 1.4584234724010294
Energy: 1.1839252768662574
Energy: 1.2096240643478946
Energy: 1.1839252768627055
Energy: 1.3688111961495113
Energy: 1.1998779188109532
Energy: 1.203843187476859
Energy: 1.1998779188074014
Energy: 1.223938872034702
Energy: 1.223235261337765
Energy: 1.6396827360509973
Energy: 1.2232352613330293
Energy: 1.2020687947700677
Energy: 1.2022294423930213
Energy: 1.2089201281321043
Energy: 1.2022294423918374
Energy: 1.2245580564653933
Energy: 1.221374441671382
Energy: 1.3501695721830789
Energy: 1.221374441674934
Energy: 1.2064310666554736
Energy: 1.2074432199782492
Energy: 1.4267502186929855
Energy: 1.2074432199794332
Energy: 1.2202553112096555
Energy: 1.3097882793347644
Energy: 1.461117467793952
Energy: 1.3097882793323967
Energy: 1.2312925253862184
Energy: 1.2749138766919776
Energy: 1.3230364375108459
Energy: 1.2749138766896098
Energy: 1.637362781005671
Energy: 1.2820666969719405
Energy: 1.3975956011140451
Energy: 1.2820666969743084

minimum gb energy = 1.1817345283663634 eV
minimum distance =  2.25232164099278 Angstroms
sigma value = 73


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

Energy: 1.8764162657816388
Energy: 1.2797335596002386
Energy: 1.4225416537818403
Energy: 1.4223052509474454
Energy: 1.1529984652458813
Energy: 1.2534350211745193
Energy: 1.2514497082402771
Energy: 1.2534350211763976
Energy: 1.2997067603786896
Energy: 1.28587375283799
Energy: 1.2854317179311485
Energy: 1.2858737528385662
Energy: 1.2776456475818467
Energy: 1.3178021709071648
Energy: 1.2768141085633475
Energy: 1.31780217090772
Energy: 1.2765161123714182
Energy: 1.2766438014919046
Energy: 1.3239347781663173
Energy: 1.2766438014919046
Energy: 1.2515476576658489
Energy: 1.2935854622327547
Energy: 1.251236443801422
Energy: 1.2935854622335232
Energy: 1.2522586743615272
Energy: 1.2530508599932644
Energy: 1.1708789480240354
Energy: 1.2530508599949508
Energy: 1.371505930058209
Energy: 1.2523569210979693
Energy: 1.170330764465642
Energy: 1.2523569210974141
Energy: 1.3729174671493047
Energy: 1.3476467348269123
Energy: 1.2313984541385625
Energy: 1.347646734824671
Energy: 1.3346606096157372
Energy: 1.186063489476484
Energy: 1.1986117602384796
Energy: 1.1860634894779785
Energy: 1.4388508004855984
Energy: 1.1863385918319787
Energy: 1.1842303369271139
Energy: 1.1863385918316158
Energy: 1.4211964430334745
Energy: 1.2062993937578002
Energy: 1.1762353644617043
Energy: 1.206299393757608
Energy: 1.5417597221445616
Energy: 1.1760833916318933
Energy: 1.1762214236714124
Energy: 1.1760833916272186
Energy: 1.5845015573105379
Energy: 1.1755299622371878
Energy: 1.1766011166830477
Energy: 1.1755299622390663
Energy: 1.3624580641418007
Energy: 1.2902263394067548
Energy: 1.1754424158208083
Energy: 1.2902263394061997
Energy: 1.1756834089965382
Energy: 1.1755353331941016
Energy: 1.451323236861121
Energy: 1.1755353331935467
Energy: 1.1751784857368808
Energy: 1.1751406843795802
Energy: 1.4223197204225833
Energy: 1.1751406843778938
Energy: 1.22377339660298
Energy: 1.230984541991411
Energy: 1.4257048625715483
Energy: 1.230984541991603
Energy: 1.1853397950072084
Energy: 1.1861021585332376
Energy: 1.5259526038479907
Energy: 1.1861021585336007
Energy: 1.196203048713463
Energy: 1.348639041697644
Energy: 1.6131694173610764
Energy: 1.3486390772271002
Energy: 1.210235616044577
Energy: 1.3473169037988209
Energy: 1.371514189161813
Energy: 1.3473169038006994
Energy: 1.7665585672549229
Energy: 1.252532240380025
Energy: 1.4039883596409426
Energy: 1.2525322403798542

minimum gb energy = 1.1529984652458813 eV
minimum distance =  2.28635923060721 Angstroms
sigma value = 7


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

Energy: 2.1633752470093617
Energy: 1.1838423625544496
Energy: 1.3865343744313239
Energy: 1.3854297640550106
Energy: 1.1983861245374994
Energy: 1.2299643695653313
Energy: 1.2374217078919283
Energy: 1.2299643695666593
Energy: 1.3118877791983303
Energy: 1.2810737497820748
Energy: 1.299315106369523
Energy: 1.2810737497701208
Energy: 1.2802051720777634
Energy: 1.252226478193544
Energy: 1.2821874972100757
Energy: 1.252226478193544
Energy: 1.2813382478697135
Energy: 1.28030856957115
Energy: 1.351042643661782
Energy: 1.2803085695591958
Energy: 1.239279657787119
Energy: 1.2862612087704701
Energy: 1.2389012111962534
Energy: 1.2862612087651575
Energy: 1.2423913401682005
Energy: 1.2426863001561506
Energy: 1.7311095660112323
Energy: 1.2426863001548225
Energy: 1.2865660602189675
Energy: 1.2392942471634993
Energy: 1.7159061097964836
Energy: 1.2392942471634993
Energy: 1.2703002871884244
Energy: 1.334601184788217
Energy: 1.1784509975728352
Energy: 1.334601184788217
Energy: 1.3765591443797616
Energy: 1.1769755775210553
Energy: 1.175870754295629
Energy: 1.1769755775263684
Energy: 1.3297627098797713
Energy: 1.1592474977356053
Energy: 1.1580118190983983
Energy: 1.1592474977369334
Energy: 1.417469549313076
Energy: 1.2030447973660232
Energy: 1.1617123396955074
Energy: 1.2030447973673513
Energy: 1.330625571759624
Energy: 1.1605228768942377
Energy: 1.1607778092619607
Energy: 1.1605228768942377
Energy: 1.7202327545608969
Energy: 1.3315481389020014
Energy: 1.176662426375057
Energy: 1.3315481389006734
Energy: 1.2869762740120056
Energy: 1.227113483557801
Energy: 1.1655711858290283
Energy: 1.227113483557801
Energy: 1.2857566543625023
Energy: 1.2435114896713513
Energy: 1.1340205901672253
Energy: 1.2435114896686947
Energy: 1.2392101380788805
Energy: 1.2371664949231798
Energy: 1.1979387452085541
Energy: 1.2371664949218515
Energy: 1.2825556779883887
Energy: 1.2566776688677654
Energy: 1.2409897713344116
Energy: 1.2566776688677654
Energy: 1.278105636090447
Energy: 1.2858343498772709
Energy: 1.2993348519322658
Energy: 1.285834349874614
Energy: 1.2813811187099033
Energy: 1.2793836298515742
Energy: 1.2778603603205794
Energy: 1.279383629850246
Energy: 1.238027327819168
Energy: 1.2976299488012537
Energy: 1.23999743781584
Energy: 1.297629948773361
Energy: 1.322745962535322
Energy: 1.239122547313173
Energy: 1.2399560863812236
Energy: 1.239122547313173
Energy: 1.7181526897338832
Energy: 1.2395144120538462
Energy: 1.2899766731641686
Energy: 1.239514412059159
Energy: 1.159632811419171
Energy: 1.3315230897017478
Energy: 1.290018494807401
Energy: 1.3315230897017478
Energy: 1.1756095951537031
Energy: 1.3348020207065292
Energy: 1.3784609009692572
Energy: 1.3348020207065292
Energy: 1.1595037556860985
Energy: 1.1599755718408733
Energy: 1.3847634669279978
Energy: 1.1599755718408733
Energy: 1.2045386833538174
Energy: 1.2041557000711447
Energy: 1.4172602813931021
Energy: 1.2041557001441667
Energy: 1.1591244307635846
Energy: 1.1598730774381845
Energy: 1.3287136446180845
Energy: 1.1598730774368866
Energy: 1.1757362979452708
Energy: 1.3357202186356159
Energy: 1.7757002242920086
Energy: 1.3357202186913713
Energy: 1.1657733041965768
Energy: 1.162010374148299
Energy: 1.289099270531234
Energy: 1.162010374148299
Energy: 1.198043153425412
Energy: 1.2387654260874297
Energy: 1.2864617274104841
Energy: 1.2387654260714909

minimum gb energy = 1.1340205901672253 eV
minimum distance =  2.28321101305593 Angstroms
sigma value = 29


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

Energy: 1.4263582428607788
Energy: 1.0199002961237453
Energy: 1.2856851253645107
Energy: 1.287430090630033
Energy: 1.3091917262447073
Energy: 1.0901980430665634
Energy: 1.1564150256861232
Energy: 1.0901980430611402
Energy: 1.2022059931272002
Energy: 1.0923813745558026
Energy: 1.1986831914642815
Energy: 1.0923813745544404
Energy: 1.2140142901244622
Energy: 1.0897348132725126
Energy: 0.9768908727410562
Energy: 1.0897348132725126
Energy: 1.2125178394299476
Energy: 1.0893374118554626
Energy: 1.2011634460902547
Energy: 1.089337411850939
Energy: 1.1611381475058251
Energy: 1.2456888867259186
Energy: 1.1569515148454224
Energy: 1.2456888867241191
Energy: 1.1589436102696873
Energy: 1.1624772220677582
Energy: 1.1978222192315564
Energy: 1.1624772220672954
Energy: 1.205613640847453
Energy: 1.1593560633906137
Energy: 1.1614219916355395
Energy: 1.1593560633897142
Energy: 1.3090493455630081
Energy: 1.094758100884624
Energy: 1.1576681219048348
Energy: 1.0947581008801002

minimum gb energy = 0.9768908727410562 eV
minimum distance =  2.30469933668129 Angstroms
sigma value = 5


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

Energy: 1.772642467958221
Energy: 1.3136594308603369
Energy: 1.4663504994073555
Energy: 1.4611326480536089
Energy: 1.2685542390615547
Energy: 1.3377679752479654
Energy: 1.405216805776335
Energy: 1.3377679752479654
Energy: 1.06447418205758
Energy: 1.059242253787679
Energy: 1.4116208701482766
Energy: 1.059242253787679
Energy: 1.0598191543358495
Energy: 1.0620554716973292
Energy: 1.405919799647989
Energy: 1.0620554717036024
Energy: 1.0606939435038047
Energy: 1.0618949373709587
Energy: 1.3730212704072515
Energy: 1.0618949373697042
Energy: 1.0348406449582976
Energy: 1.0357898506579268
Energy: 1.3254901740558205
Energy: 1.0357898506554175
Energy: 1.0347062253068464
Energy: 1.1852468652834611
Energy: 1.2859290428636316
Energy: 1.1852468652847157
Energy: 1.0394412076371466
Energy: 1.1846234250781353
Energy: 1.297629436316107
Energy: 1.1846234250781353
Energy: 1.1982683705877502
Energy: 1.2661939233182506
Energy: 1.2333579034282705
Energy: 1.2661939233157413
Energy: 1.5850360355905482
Energy: 1.236485429061163
Energy: 1.2344528459444548
Energy: 1.2364854290599083
Energy: 1.411953731232982
Energy: 1.1084895441829685
Energy: 1.4099079032740929
Energy: 1.1084895441817137
Energy: 1.3622971662821477
Energy: 1.2449706933427145
Energy: 1.4692193693264062
Energy: 1.2449706933427145
Energy: 1.2358976422367274
Energy: 1.253234335959932
Energy: 1.4401278412983656
Energy: 1.253234335959932
Energy: 1.2329017406704497
Energy: 1.2124046612595543
Energy: 1.1972958762641257
Energy: 1.2124046612620634
Energy: 1.2736194435719796
Energy: 1.1644108845660832
Energy: 1.0345723485087914
Energy: 1.1644108845635737
Energy: 1.275387740186336
Energy: 1.0338649114719085
Energy: 1.0358497168249996
Energy: 1.0338649114731633
Energy: 1.2135843767078869
Energy: 1.134090881276698
Energy: 1.0357153143661557
Energy: 1.134090881276698
Energy: 1.4519588638379042
Energy: 1.0598402082348926
Energy: 1.058481393648736
Energy: 1.059840208236147
Energy: 1.5321288804561726
Energy: 1.0624881411853244
Energy: 1.0625913509869642
Energy: 1.0624881411890883
Energy: 1.3677165920814325
Energy: 1.0612090111523358
Energy: 1.1564807811842512
Energy: 1.0612090111523358
Energy: 1.3680574905615892
Energy: 1.4460357545987994
Energy: 1.541712183123159
Energy: 1.4460357545975446
Energy: 1.4531698243401623
Energy: 1.4293495877949767
Energy: 1.5288223489410255
Energy: 1.4293495877949767
Energy: 1.4531120068292314
Energy: 1.0635052577514157
Energy: 1.2070635830267276
Energy: 1.0635052577501614
Energy: 1.5062826222220305
Energy: 1.1266718054223217
Energy: 1.210299835645931
Energy: 1.1266718054561407
Energy: 1.505569285900389
Energy: 1.133599618784212
Energy: 1.1223287067494607
Energy: 1.133599618784212
Energy: 1.1408765817913196
Energy: 1.1805833236352832
Energy: 1.1255821334471192
Energy: 1.1805833236340286
Energy: 1.0988814654932877
Energy: 1.0946156262608062
Energy: 1.094653066789351
Energy: 1.0946156262595514
Energy: 1.096074787748124
Energy: 1.0944183314904712
Energy: 1.0939924800668377
Energy: 1.0944183314854525
Energy: 1.1249898347663545
Energy: 1.0978184457578593
Energy: 1.0956244346048787
Energy: 1.0978184456613065
Energy: 1.1272108155495582
Energy: 1.1240073028450053
Energy: 1.4733233619344315
Energy: 1.1240073028475148
Energy: 1.2110378073152457
Energy: 1.124396769737023
Energy: 1.4939105933492154
Energy: 1.1243967697382773
Energy: 1.2044751723146285
Energy: 1.2270962514054982
Energy: 1.5010876713250714
Energy: 1.2270962514054982
Energy: 1.6070684786934557
Energy: 1.4138509633988698
Energy: 1.4277385102949514
Energy: 1.4138509633976153

minimum gb energy = 1.0338649114719085 eV
minimum distance =  2.24392054037927 Angstroms
sigma value = 1


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

Energy: 1.6791425564735019
Energy: 1.0669647991901627
Energy: 1.3309136866642712
Energy: 1.2480443522169609
Energy: 1.2175748863278189
Energy: 1.1223158871383723
Energy: 1.0473034601410571
Energy: 1.1223158871366377
Energy: 1.039665737832836
Energy: 1.1118376214231476
Energy: 1.2465217727687388
Energy: 1.1118376214335564
Energy: 1.0289047081946998
Energy: 1.1155571221592895
Energy: 0.9766951281318357
Energy: 1.1155571221592895
Energy: 1.030374372779698
Energy: 1.0309342044233474
Energy: 1.0470891461718717
Energy: 1.0309342044424301
Energy: 1.0301646364018837
Energy: 1.0321022413448195
Energy: 1.119684879455701
Energy: 1.0321022413465542
Energy: 1.0306540502288204
Energy: 1.1158582349602744
Energy: 1.333159574233448
Energy: 1.115858234962009
Energy: 1.0409645058203056
Energy: 1.1176238285252478
Energy: 1.2451371826449487
Energy: 1.1176238285252478
Energy: 1.1360415163872097
Energy: 1.1812122157013676
Energy: 1.2497638684248735
Energy: 1.1812122157013676
Energy: 1.3235451748124072
Energy: 1.2632039021184596
Energy: 1.264114004631849
Energy: 1.263203902123664
Energy: 1.044865495569761
Energy: 1.1797794448839827
Energy: 1.2689816016237567
Energy: 1.1797794448839827
Energy: 1.0417159740951343
Energy: 1.0458010609563382
Energy: 1.4272763173673582
Energy: 1.0458010609615027
Energy: 1.0471338022124825
Energy: 1.055673407582316
Energy: 1.4120969234160865
Energy: 1.055673407606603
Energy: 1.0464600619379363
Energy: 1.1785345513230892
Energy: 1.0410372052998107
Energy: 1.1785345513230892
Energy: 0.9761290541382801
Energy: 1.1176816950506487
Energy: 1.0388581762279145
Energy: 1.117681695031566
Energy: 0.9764155249836063
Energy: 1.0176435343884083
Energy: 1.0295501190094538
Energy: 1.017643534391878
Energy: 1.114936201241785
Energy: 1.0349962873288296
Energy: 1.1117415206397019
Energy: 1.034996287334034
Energy: 1.0478102567454455
Energy: 1.025819725570884
Energy: 1.0223051669262853
Energy: 1.025819725570884
Energy: 1.340859416022759
Energy: 1.1178703598404056
Energy: 1.0314328642469632
Energy: 1.1178703598386708
Energy: 1.2459164323868521
Energy: 1.1179670505745638
Energy: 1.0392721263425224
Energy: 1.1179670505693593
Energy: 1.2465519063222896
Energy: 1.0460491471002775
Energy: 1.2330650762613244
Energy: 1.0460491472736775
Energy: 1.265917092015789
Energy: 1.2439935026042679
Energy: 1.2332197499237192
Energy: 1.2439935026042679
Energy: 1.2675912720495883
Energy: 1.1784008951716916
Energy: 1.039937563242402
Energy: 1.1784008951734266
Energy: 1.4161074303465826
Energy: 1.0473969523613822
Energy: 1.0389768382639177
Energy: 1.047396952364852

minimum gb energy = 0.9761290541382801 eV
minimum distance =  2.2958817453177 Angstroms
sigma value = 17


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

Energy: 1.8420974094027316
Energy: 1.3396635193300492
Energy: 1.4800423042374946
Energy: 1.4791328071089653
Energy: 1.2033770352314117
Energy: 1.1156347595386351
Energy: 1.2698983410941627
Energy: 1.115634759534346
Energy: 1.0820818184471757
Energy: 1.0751779325393873
Energy: 1.3761025290067197
Energy: 1.0751779325426043
Energy: 1.080658629713473
Energy: 1.0785756434302105
Energy: 1.5188119623430343
Energy: 1.078575643428066
Energy: 1.0835304671356705
Energy: 1.0805024263362497
Energy: 1.1219893138980763
Energy: 1.080502426331961
Energy: 1.0566833474085031
Energy: 1.0484805340249337
Energy: 1.047881069287448
Energy: 1.0484805340270784
Energy: 1.0548988124389145
Energy: 1.0484404370795959
Energy: 1.0471725459418553
Energy: 1.0484404370795959
Energy: 1.0518936916889012
Energy: 1.0513099342824987
Energy: 1.0583180371391805
Energy: 1.0513099342910281
Energy: 1.1202238818617996
Energy: 1.0772487369570534
Energy: 1.0769550416099765
Energy: 1.0772487369549089
Energy: 1.414664084258665
Energy: 1.0802715127185794
Energy: 1.0865748379225217
Energy: 1.0802715127153628
Energy: 1.459957689317341
Energy: 1.0779663983918102
Energy: 1.0799502130112697
Energy: 1.0779663983918102
Energy: 1.4067254971491354
Energy: 1.1034389341762836
Energy: 1.2989932888292617
Energy: 1.1034389341773558
Energy: 1.100211349584176
Energy: 1.1552235148512608
Energy: 1.5066576637438356
Energy: 1.1552235147033407
Energy: 1.2183814262403407
Energy: 1.0812474329441548
Energy: 1.144028221889585
Energy: 1.081247432946299
Energy: 1.410990187093609
Energy: 1.1793387977393153
Energy: 1.0787084254720438
Energy: 1.179338797738243
Energy: 1.4347228036028878
Energy: 1.1357708249199336
Energy: 1.1574715834974119
Energy: 1.1357708249156448
Energy: 1.0950540331967402
Energy: 1.2067668633007997
Energy: 1.1600029845345792
Energy: 1.2067668632965107
Energy: 1.0116770950890137
Energy: 1.2074131200008993
Energy: 1.2025022671838068
Energy: 1.2074131199976825
Energy: 1.012619534526446
Energy: 1.0103392077136872
Energy: 1.2656046808072012
Energy: 1.0103392077136872
Energy: 1.0779464436167352
Energy: 1.1494116702680583
Energy: 1.3274121261723855
Energy: 1.1494116702648416
Energy: 1.0317302687031378
Energy: 1.0323650090323275
Energy: 1.36050210564488
Energy: 1.0323650090323275
Energy: 1.0336465009695948
Energy: 1.1730588874830594
Energy: 1.3630977796890935
Energy: 1.173058887485204
Energy: 1.0163821355389362
Energy: 1.1162333513817713
Energy: 1.310917304857243
Energy: 1.1162333513774823
Energy: 1.3889486816364212
Energy: 1.2525893524352343
Energy: 1.2754435971053142
Energy: 1.2525893524438119
Energy: 1.3893624519353864
Energy: 1.1565070423845152
Energy: 1.0425069342663789
Energy: 1.1565070423866597
Energy: 1.0366558840492657
Energy: 1.0332378040675227
Energy: 1.4160957322728345
Energy: 1.0332378040664505
Energy: 1.27888116760438
Energy: 1.2789403686437752
Energy: 1.85283612443725
Energy: 1.2789403686469916
Energy: 1.2960125895400034
Energy: 1.0957331670330552
Energy: 1.2014920524033508
Energy: 1.095733167026622
Energy: 1.340483703330218
Energy: 1.1739542584468121
Energy: 1.0347915566586714
Energy: 1.1739542584446676
Energy: 1.309508661839503
Energy: 1.1733767200759027
Energy: 1.0376128123598878
Energy: 1.1733767200759027
Energy: 1.344890344324656
Energy: 1.0342986918848724
Energy: 1.0393817712173485
Energy: 1.034298691888089
Energy: 1.2769452266347727
Energy: 1.0112173276167042
Energy: 1.0186881644386734
Energy: 1.0112173276188485
Energy: 1.204539169612409
Energy: 1.1449225560181968
Energy: 1.013254962838049
Energy: 1.1449225560192688
Energy: 1.2162162419748235
Energy: 1.205183674756687
Energy: 1.0129202355577676
Energy: 1.2051836747631204
Energy: 1.1600399241793096
Energy: 1.1386906040455755
Energy: 1.0318938272861167
Energy: 1.1386906040455755
Energy: 1.1665635790478734
Energy: 1.1621427088720617
Energy: 1.7044726118576508
Energy: 1.1621427088688447
Energy: 1.0787692211904132
Energy: 1.1395877389278923
Energy: 1.5110852633137073
Energy: 1.1395877389289648
Energy: 1.287703444297088
Energy: 1.068973796347842
Energy: 1.0211642074001706
Energy: 1.0689737963424808

minimum gb energy = 1.0103392077136872 eV
minimum distance =  2.30617624902712 Angstroms
sigma value = 89


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

Energy: 1.8335947595117952
Energy: 1.0971202493713597
Energy: 1.3480511405987257
Energy: 1.3031572217996434
Energy: 1.2140221946801033
Energy: 1.0395670992820418
Energy: 1.040403256021181
Energy: 1.0395670992786625
Energy: 1.036198748476458
Energy: 1.0386437237622175
Energy: 1.1710295011104106
Energy: 1.0386437237627917
Energy: 1.0323488487096697
Energy: 1.0333254891726669
Energy: 1.169338305979268
Energy: 1.0333254891726669
Energy: 1.0341069938357188
Energy: 1.0361019822882533
Energy: 1.2119490381602451
Energy: 1.0361019822896562
Energy: 1.0756175284468454
Energy: 1.053531554989798
Energy: 1.1524858453350229
Energy: 1.053531554988937
Energy: 1.0794385423262238
Energy: 1.0530220384867732
Energy: 1.0636784799474697
Energy: 1.0530220384890367
Energy: 1.151417132199651
Energy: 1.0546869553346987
Energy: 1.1124664982861912
Energy: 1.05468695532794
Energy: 1.1058456678392692
Energy: 1.0331114338051788
Energy: 1.0347456261153354
Energy: 1.0331114338051788
Energy: 1.3540803154319572
Energy: 1.0402636111848336
Energy: 1.034615802979167
Energy: 1.040263611182889
Energy: 1.045929152985304
Energy: 1.0347697897660662
Energy: 1.0442397710794922
Energy: 1.0347697897660662
Energy: 1.0450310955910458
Energy: 1.044574383658145
Energy: 1.5268366429500388
Energy: 1.0445743837478898
Energy: 1.0676700568876714
Energy: 1.0418337314134432
Energy: 1.3760457010092237
Energy: 1.041833731413985
Energy: 1.0672979329488683
Energy: 1.2065223149032422
Energy: 1.114053605488124
Energy: 1.206522314904103
Energy: 1.4680040462490747
Energy: 1.0400878626999275
Energy: 1.035247273926986
Energy: 1.0400878627033068

minimum gb energy = 1.0323488487096697 eV
minimum distance =  2.30056533307215 Angstroms
sigma value = 13


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

Energy: 1.3129899545605637
Energy: 1.1553180920098811
Energy: 1.371367802201229
Energy: 1.368634989665268
Energy: 1.107262072178735
Energy: 1.0701375240799653
Energy: 1.0765865292257424
Energy: 1.0701375240776134
Energy: 1.0725451356664126
Energy: 1.0681940945054729
Energy: 1.2787302892194818
Energy: 1.0681940945054729
Energy: 1.0691293018098185
Energy: 1.071531755353722
Energy: 1.3172573942895678
Energy: 1.0715317553548978
Energy: 1.0742840318297358
Energy: 1.143780292245336
Energy: 0.997650057308938
Energy: 1.1437802922394564
Energy: 1.203168883685477
Energy: 1.1262925239645127
Energy: 1.076623560488038
Energy: 1.126292523962161
Energy: 1.2029165758387133
Energy: 1.0238712876932217
Energy: 1.0271015221002893
Energy: 1.0238712876943974
Energy: 1.232840657303293
Energy: 1.027677194385229
Energy: 1.0483063321132877
Energy: 1.0276771943887564
Energy: 1.194451346854228
Energy: 1.129267940751959
Energy: 1.0239902694833343
Energy: 1.129267940751959
Energy: 1.191045670476213
Energy: 1.0821855671711056
Energy: 1.0258458356408882
Energy: 1.0821855671581706
Energy: 1.1384357231583468
Energy: 1.114517498457966
Energy: 1.084060910298417
Energy: 1.114517498457966
Energy: 1.0672119432546596
Energy: 1.0723497346869122
Energy: 1.2285423605073262
Energy: 1.0723497346586908
Energy: 1.0754930922572692
Energy: 1.068524059090581
Energy: 1.439840377106641
Energy: 1.0685240590917569
Energy: 1.0742169879824206
Energy: 1.0745368329584357
Energy: 1.0829286048710822
Energy: 1.0745368329584357
Energy: 1.5481072382608845
Energy: 1.0692533369129038
Energy: 1.0703249108408142
Energy: 1.0692533369117279
Energy: 1.2371169812995948
Energy: 1.0739772420909
Energy: 1.0815815809232205
Energy: 1.0739772420909
Energy: 1.0768068635590462
Energy: 1.0730017380138668
Energy: 1.0815338976862947
Energy: 1.0730017380032835
Energy: 1.0710990492421366
Energy: 1.0727606760394135
Energy: 1.3148045082329634
Energy: 1.0727606760029607
Energy: 1.0791400217400444
Energy: 1.0769194112005926
Energy: 1.1026664146689724
Energy: 1.0769194111124536
Energy: 1.0844025611834915
Energy: 1.0694442780633555
Energy: 1.0724519025557
Energy: 1.0694442780645315
Energy: 1.3154764631953741
Energy: 1.068632305145219
Energy: 1.0686877100579137
Energy: 1.068632305145219
Energy: 1.0835886964677655
Energy: 1.076958370337467
Energy: 1.071668819163421
Energy: 1.0769583695711018
Energy: 1.0806396317109273
Energy: 1.086443478901307
Energy: 1.206107274492817
Energy: 1.086443478901307
Energy: 1.022054136060718
Energy: 1.1284206266533183
Energy: 1.0607057718295128
Energy: 1.128420626654494
Energy: 1.030890099362632
Energy: 1.0256018607630653
Energy: 1.2317199708280029
Energy: 1.0256018607654172
Energy: 1.0276118477895317
Energy: 1.0787463379817366
Energy: 1.215362682229595
Energy: 1.0787463380217173
Energy: 1.0244736689318203
Energy: 1.0801394687330115
Energy: 1.191160781265606
Energy: 1.0801394687318355
Energy: 1.0834956189369591
Energy: 1.0250632360922503
Energy: 1.139607753944454
Energy: 1.025063236094602
Energy: 1.197172303503442
Energy: 1.0679579589820367
Energy: 1.0681716571114093
Energy: 1.0679579589773331
Energy: 1.1868062539301574
Energy: 1.0687002906628515
Energy: 1.069950024544156
Energy: 1.0687002832580055
Energy: 1.0842593609421685
Energy: 1.070009376175377
Energy: 1.0807675028085586
Energy: 1.070009376175377
Energy: 1.0761563258934124
Energy: 1.0740393360948381
Energy: 1.5520473227436253
Energy: 1.0740393360960139
Energy: 1.075907960886367
Energy: 1.0690140491055276
Energy: 1.561605578914496
Energy: 1.0690140490914166
Energy: 1.0742354872923128
Energy: 1.2269473877367394
Energy: 1.0753180523284864
Energy: 1.2269473877355634
Energy: 1.3079800154164325
Energy: 1.070623068604287
Energy: 1.0767478699121777
Energy: 1.0706230686019353

minimum gb energy = 0.997650057308938 eV
minimum distance =  2.31226201066939 Angstroms
sigma value = 37


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

Energy: 1.3793708177462514
Energy: 1.138549604581866
Energy: 1.3163856754996115
Energy: 1.3283454085477993
Energy: 1.0470698851861304
Energy: 1.0699032298867728
Energy: 1.0692194489413966
Energy: 1.069903229888612
Energy: 1.0690118490030924
Energy: 1.0660530615008679
Energy: 1.1125267035263313
Energy: 1.0660530615012818
Energy: 1.0612274793871674
Energy: 1.062161818920785
Energy: 1.3183269622614737
Energy: 1.0621618189128994
Energy: 1.068136894579401
Energy: 1.0388546957740594
Energy: 1.0340444710220444
Energy: 1.038854695773255
Energy: 1.1528794123082287
Energy: 1.0016779700249996
Energy: 1.0486232791202077
Energy: 1.0016779700249996
Energy: 1.152991883910722
Energy: 1.00206719402326
Energy: 0.9990727153336995
Energy: 1.0020671940236738
Energy: 1.1449072156598614
Energy: 1.0012912135705485
Energy: 1.0763973312380128
Energy: 1.0012912135713532
Energy: 1.1221926697192675
Energy: 1.189026149571996
Energy: 1.09268775375671
Energy: 1.1890261495733982
Energy: 1.0760447911558289
Energy: 1.1888018068981128
Energy: 1.105083128898176
Energy: 1.1888018068989172
Energy: 1.0762913477557265
Energy: 1.1110603972450164
Energy: 1.1440294323339815
Energy: 1.1110603972472461
Energy: 1.0007854018951063
Energy: 1.001569505604472
Energy: 1.2372353994739136
Energy: 1.001569505604058
Energy: 1.0448784618329126
Energy: 1.0998815991611866
Energy: 1.2344806211003958
Energy: 1.099881599160589
Energy: 1.0504732198478872
Energy: 1.1497954100009313
Energy: 1.1300217618366235
Energy: 1.1497954100003336
Energy: 1.234954423293579
Energy: 1.0609667736449626
Energy: 1.060143159285144
Energy: 1.060966773644158
Energy: 1.1333705639306062
Energy: 1.0635803307584548
Energy: 1.0686939781707685
Energy: 1.0635803307588687
Energy: 1.0708152378304225
Energy: 1.0391232628549154
Energy: 1.123801466088307
Energy: 1.03912326285572
Energy: 1.0691463124033118
Energy: 1.0683150333186984
Energy: 1.1378684611146284
Energy: 1.068315033319503
Energy: 1.0692653092265552
Energy: 1.0707016805353047
Energy: 1.062881052995727
Energy: 1.0707016805330747
Energy: 1.0470700163179223
Energy: 1.069028425800868
Energy: 1.0682713385928353
Energy: 1.0690284258012588

minimum gb energy = 0.9990727153336995 eV
minimum distance =  2.3073372003244 Angstroms
sigma value = 25


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

Energy: 1.469926445284777
Energy: 1.0773915208671732
Energy: 1.2029925504034769
Energy: 1.2014995317869568
Energy: 0.943861342289403
Energy: 0.9823994813350859
Energy: 1.024522838927371
Energy: 0.9823994813366657
Energy: 1.0202257991298305
Energy: 1.0172276748363138
Energy: 0.9493293173219779
Energy: 1.0172276748363138
Energy: 1.0127936644924638
Energy: 1.0133740556049864
Energy: 1.1503724266096642
Energy: 1.013374055606566
Energy: 0.980482152806723
Energy: 0.9786950397639771
Energy: 1.0561589251406451
Energy: 0.9786950396502697
Energy: 1.1489238035458582
Energy: 0.9485303651420189
Energy: 0.9488567525215466
Energy: 0.9485303651404391
Energy: 1.1512679742807481
Energy: 0.9487491847885656
Energy: 0.9481833231932679
Energy: 0.9487491847901454
Energy: 1.0103673796233963
Energy: 0.9937501718625084
Energy: 1.0508167670173956
Energy: 0.9937501718625084
Energy: 1.0118288441057368
Energy: 1.0901888345936406
Energy: 1.1087915718116856
Energy: 1.090188834592061
Energy: 0.9854694604136245
Energy: 1.090969345612933
Energy: 1.1191607153529433
Energy: 1.0909693456113532
Energy: 1.0048853886197096
Energy: 1.0668645130261392
Energy: 1.0675182565924
Energy: 1.066864513024559
Energy: 1.0483232138234853
Energy: 1.0793271223199088
Energy: 1.0435525796585063
Energy: 1.079327122318329
Energy: 1.0405690300624728
Energy: 1.0824486370935897
Energy: 1.0423832768498287
Energy: 1.0824486370935897
Energy: 1.0671010817661075
Energy: 1.074877763094626
Energy: 1.004889204684118
Energy: 1.074877763094626
Energy: 1.1083799500215328
Energy: 1.0911279485822207
Energy: 0.9828434794091189
Energy: 1.0911279485822207
Energy: 1.112363584822168
Energy: 1.0903551974920085
Energy: 1.0168186718232426
Energy: 1.0903551974920085
Energy: 1.0520098210394335
Energy: 0.949229181137104
Energy: 1.0251664831198681
Energy: 0.9492291811323647
Energy: 0.9479873652883966
Energy: 1.0303827998345119
Energy: 1.1055888271843173
Energy: 1.0303827998376713
Energy: 0.9490505360875356
Energy: 1.0315553504199233
Energy: 1.1961024200235861
Energy: 1.0315553504183432
Energy: 0.9487323090887966
Energy: 1.0541977433503409
Energy: 0.9806972045599104
Energy: 1.0541977433503409
Energy: 1.3626391793027088
Energy: 1.0154860046859826
Energy: 1.0162765355461547
Energy: 1.0154860046859826
Energy: 0.9485223139616825
Energy: 1.023533602373802
Energy: 1.0179350517064778
Energy: 1.0235336023690627
Energy: 0.9491147343234482
Energy: 0.9490890736282838
Energy: 0.989015986790349
Energy: 0.9490890736314433
Energy: 1.0207616225847762
Energy: 1.016221314400831
Energy: 1.1776454258961488
Energy: 1.0162213143960919
Energy: 1.019019664628774
Energy: 1.018671458429949
Energy: 1.0175810058722115
Energy: 1.018671458429949
Energy: 0.9505188442892065
Energy: 1.0257835596525846
Energy: 1.0200716429805528
Energy: 1.0257835596525846

minimum gb energy = 0.943861342289403 eV
minimum distance =  2.30696719828785 Angstroms
sigma value = 41


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

Energy: 1.2526246368262326
Energy: 1.0109800136715414
Energy: 1.0972514019402233
Energy: 1.1033678190975649
Energy: 0.9130650023942873
Energy: 0.8977667971325919
Energy: 0.8943263983605665
Energy: 0.8977667971287063
Energy: 0.9527967775702618
Energy: 0.9498443636016491
Energy: 0.9511654343905119
Energy: 0.9498443636016491
Energy: 0.9539309017132757
Energy: 0.9539125464633097
Energy: 1.1312236759229235
Energy: 0.9539125464646049
Energy: 0.897842138711162
Energy: 0.897042436781345
Energy: 0.8978818120627887
Energy: 0.897042436781345
Energy: 1.1164537827902734
Energy: 0.8944487567422936
Energy: 0.8953410835430697
Energy: 0.8944487567422936
Energy: 1.1388792779251955
Energy: 0.8939406008867956
Energy: 0.894764436740961
Energy: 0.8939406008867956
Energy: 0.9174069450420331
Energy: 0.8963825365612148
Energy: 1.0257776042830506
Energy: 0.8963825395102758
Energy: 0.9192768544497942
Energy: 0.9516719606833588
Energy: 1.0425114985281447
Energy: 0.9516719607118521
Energy: 0.912988722581757
Energy: 1.0114324326519388
Energy: 1.0415738870578357
Energy: 1.011432432653234
Energy: 0.9740520723531135
Energy: 0.9931886165254277
Energy: 0.9487718891123335
Energy: 0.9931886165254277
Energy: 1.0325297074089945
Energy: 0.9933580243647134
Energy: 0.9472872374860447
Energy: 0.9933580243673038
Energy: 1.0244549331119293
Energy: 0.9974444229144723
Energy: 0.9484795445455354
Energy: 0.9974444229144723
Energy: 0.9882924358184967
Energy: 0.9870511097437429
Energy: 0.9500095315887668
Energy: 0.9870511097437429
Energy: 0.9731701461395941
Energy: 0.9875594777558184
Energy: 1.0021680499756662
Energy: 0.9875594777571136
Energy: 0.9736397592285982
Energy: 0.99300788276508
Energy: 0.9848237661681889
Energy: 0.9930078827663752
Energy: 0.9501883638330728
Energy: 0.9956514172034526
Energy: 1.0320204019885886
Energy: 0.9956514172008626
Energy: 0.963128300869049
Energy: 0.9930439057022696
Energy: 1.015829458572635
Energy: 0.9930439057022696
Energy: 0.954192714625046
Energy: 0.9976630651763124
Energy: 1.0009039769552497
Energy: 0.9976630651776076
Energy: 1.00246598024718
Energy: 0.9560372573864057
Energy: 0.9300793186567023
Energy: 0.9560372573851105
Energy: 1.0745247022431386
Energy: 1.0112210147379823
Energy: 0.9164777614903804
Energy: 1.0112210147379823
Energy: 0.9455633394140743
Energy: 0.9531974052489771
Energy: 0.9169954310430316
Energy: 0.9531974052321401
Energy: 0.9014845422109364
Energy: 0.9685126066933903
Energy: 0.9181145085213811
Energy: 0.9685126067024564
Energy: 0.8978520483236152
Energy: 0.8937193796801176
Energy: 1.0684014083997664
Energy: 0.89371937970084
Energy: 0.8971141040760923
Energy: 0.8959220728922425
Energy: 0.8957481109137658
Energy: 0.8959220728935375
Energy: 0.9198926931535386
Energy: 0.9016241687022213
Energy: 0.9577809651992375
Energy: 0.9016241687022213
Energy: 0.9444085597564903
Energy: 0.9498012844407242
Energy: 0.955329463582412
Energy: 0.9498012844433146
Energy: 0.8963897968581901
Energy: 0.8971321434143266
Energy: 0.9516202015664976
Energy: 0.8971321434156218
Energy: 0.8974053055301351
Energy: 0.9015523884646884
Energy: 0.9227810634350228
Energy: 0.9015523884633934
Energy: 0.9681527306867541
Energy: 0.952751688812922
Energy: 0.9856749830174073
Energy: 0.9527516888142171
Energy: 0.9529123770861091
Energy: 0.9537891473051426
Energy: 0.9524074292725588
Energy: 0.9537891473038475
Energy: 0.9897312305103533
Energy: 0.9525261245556016
Energy: 0.95362175456549
Energy: 0.9525261245543064

minimum gb energy = 0.8937193796801176 eV
minimum distance =  2.30726733662158 Angstroms
sigma value = 15


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

Energy: 1.3532865632238678
Energy: 0.9430174139333569
Energy: 1.0099865818759783
Energy: 1.0181044164576671
Energy: 0.8608414658388569
Energy: 0.856679116632156
Energy: 0.8516532540792434
Energy: 0.8566791166288644
Energy: 0.9098057445226326
Energy: 0.8930065022836302
Energy: 0.8424261977011799
Energy: 0.8930065022814357
Energy: 0.8869960546269209
Energy: 0.8962633167764802
Energy: 1.0968790738747023
Energy: 0.8962633167764802
Energy: 0.8507969484690796
Energy: 0.8550207911835233
Energy: 0.8489580015007377
Energy: 0.8550207911846204
Energy: 0.8965557843189963
Energy: 0.845807208704251
Energy: 0.8509147070090148
Energy: 0.8458072087064453
Energy: 1.014020311268381
Energy: 0.8436710663093983
Energy: 0.8441963552682114
Energy: 0.8436710663083011
Energy: 0.8604197448214761
Energy: 0.8596092928931722
Energy: 0.8516668357789396
Energy: 0.8596092928997553
Energy: 0.8722932856821574
Energy: 0.8891046651821993
Energy: 0.8412445585139627
Energy: 0.8891046651821993
Energy: 0.8547830701181794
Energy: 0.9424108555520578
Energy: 1.0040191874988182
Energy: 0.9424108555498634
Energy: 0.9515084646646016
Energy: 0.9292003460120237
Energy: 0.8835691988758927
Energy: 0.9292003460098295
Energy: 0.9641692264468483
Energy: 0.9281410330957934
Energy: 0.8789446105743356
Energy: 0.9281410330935992
Energy: 0.9984613191458607
Energy: 0.9270716396450129
Energy: 0.879139257847333
Energy: 0.9270716396384298
Energy: 0.9041556650505441
Energy: 0.929298858359135
Energy: 0.9226780920925471
Energy: 0.9292988583613292
Energy: 0.9016150233469485
Energy: 0.9164651892346237
Energy: 0.9497860114296394
Energy: 0.9164651892324294
Energy: 0.8938744365161428
Energy: 0.9207186826173709
Energy: 0.9572595525734066
Energy: 0.9207186826151765
Energy: 0.9167281789274762
Energy: 0.9179996514064943
Energy: 0.917539356040051
Energy: 0.9179996514097859
Energy: 0.9623491157952107
Energy: 0.9093042076925145
Energy: 0.9181652296718098
Energy: 0.9093042076892232
Energy: 0.9257656012107486
Energy: 0.916400411671264
Energy: 0.9161544752502304
Energy: 0.9164004116701667
Energy: 0.9658786735201963
Energy: 0.9204060321978909
Energy: 0.892653323049564
Energy: 0.9204060321967936
Energy: 0.9477981449077552
Energy: 0.9158867956552126
Energy: 0.9036190717064488
Energy: 0.9158867956541155
Energy: 0.9237900967129319
Energy: 0.9274361480078678
Energy: 0.9009203938601765
Energy: 0.9274361480045763
Energy: 0.8783158647271736
Energy: 0.9280913231793875
Energy: 1.003963554035277
Energy: 0.9280913231771931
Energy: 0.8792040240994594
Energy: 0.9258805528321469
Energy: 1.0228702557725944
Energy: 0.9258805528321469
Energy: 0.8817037579224395
Energy: 0.9357124369763625
Energy: 0.9523159902844452
Energy: 0.935712436973071
Energy: 0.8820085757240574
Energy: 0.9431760413537996
Energy: 0.8582502512556972
Energy: 0.9431760413494108
Energy: 0.9939253163418572
Energy: 0.889705051167885
Energy: 0.8595310009163618
Energy: 0.8897050511634963
Energy: 0.8490441952515922
Energy: 0.8904551155805629
Energy: 0.859620481736825
Energy: 0.89045511557398
Energy: 0.8458666597421554
Energy: 0.844692490406962
Energy: 1.055339557823317
Energy: 0.8446924904102535
Energy: 0.8536036849067536
Energy: 0.8450616536744211
Energy: 0.8643458458449222
Energy: 0.8450616536766156
Energy: 0.849964658725861
Energy: 0.8596569434883681
Energy: 0.8499391238147048
Energy: 0.859656943487271
Energy: 1.0029976178258866
Energy: 0.8912848599731313
Energy: 0.898134875433981
Energy: 0.891284859983006
Energy: 0.9884722696346159
Energy: 0.8912492053076324
Energy: 0.8928889388139062
Energy: 0.8912492052989051
Energy: 0.8503842502955972
Energy: 0.8538111441982178
Energy: 0.8996158495445854
Energy: 0.8538111442037036
Energy: 1.0109477581968584
Energy: 1.0080379033977682
Energy: 0.9230292816867335
Energy: 1.0080379033933795
Energy: 0.8927591602072563
Energy: 0.8947135378909395
Energy: 0.8530590160297946
Energy: 0.8947135378876481
Energy: 0.8534908896714067
Energy: 0.8925848244272964
Energy: 0.8933453018454965
Energy: 0.8925848244349268

minimum gb energy = 0.8412445585139627 eV
minimum distance =  2.31326326564399 Angstroms
sigma value = 85


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

Energy: 1.3193674290957462
Energy: 0.8133846302343446
Energy: 0.8798467779771021
Energy: 0.874949253456089
Energy: 0.7517885216839636
Energy: 0.7579752695026387
Energy: 0.7578765219600277
Energy: 0.7579752695026387
Energy: 0.795123346614449
Energy: 0.7590146235773781
Energy: 0.8288234681822368
Energy: 0.7590146235773781
Energy: 0.7881385485333833
Energy: 0.7885534667541755
Energy: 0.7513051274066381
Energy: 0.7885534667522722
Energy: 0.758167708580941
Energy: 0.7591324148873837
Energy: 0.7579378129292812
Energy: 0.7591324148854804
Energy: 0.7394632174190717
Energy: 0.7568753127227504
Energy: 0.7577657423160062
Energy: 0.7568753127237022
Energy: 0.7380830182989496
Energy: 0.7567346426225082
Energy: 0.7579297593131874
Energy: 0.7567346426225082
Energy: 0.776674565773199
Energy: 0.7769500076394701
Energy: 0.757953478964027
Energy: 0.7769500076404219
Energy: 0.7768841435615262
Energy: 0.80284845680062
Energy: 0.7499025427346626
Energy: 0.80284845680062
Energy: 0.7773049583406842
Energy: 0.8472011342835863
Energy: 0.7493991419810452
Energy: 0.8472011342835863
Energy: 0.7945937585024836
Energy: 0.8353092060415019
Energy: 0.8024195974632433
Energy: 0.8353092060405501
Energy: 0.9400395776248517
Energy: 0.8350210172428525
Energy: 0.8013418323147287
Energy: 0.8350210172438041
Energy: 0.849562742495928
Energy: 0.8399409425353502
Energy: 0.801462675680234
Energy: 0.8399409425343987
Energy: 0.8195026929668021
Energy: 0.8376892870142592
Energy: 0.832808588270666
Energy: 0.8376892870161623
Energy: 0.8183859903145216
Energy: 0.8331392902934893
Energy: 0.8949646716443062
Energy: 0.8331392902944408
Energy: 0.8183792911512004
Energy: 0.8375733955017081
Energy: 0.9135214334595503
Energy: 0.8375733955026596
Energy: 0.8764686014063888
Energy: 0.8301065236702074
Energy: 0.8439817380873779
Energy: 0.830106523671159
Energy: 0.885638242941776
Energy: 0.8303625218842914
Energy: 0.8394755316752298
Energy: 0.8303625218833398
Energy: 0.8912201502465571
Energy: 0.8314243480009055
Energy: 0.8492077035708228
Energy: 0.8314243480018573
Energy: 0.8626727057938374
Energy: 0.8301575477635141
Energy: 0.8642640325641817
Energy: 0.8301575477625626
Energy: 0.8623541199188254
Energy: 0.8302020995147049
Energy: 0.8627071665356846
Energy: 0.8302020995147049
Energy: 0.8590276977239663
Energy: 0.8304025579207521
Energy: 0.8722694132582494
Energy: 0.8304025579207521
Energy: 0.841696531510968
Energy: 0.8306517344487642
Energy: 0.8858019905428713
Energy: 0.8306517344487642
Energy: 0.8393361792311697
Energy: 0.8296175712430378
Energy: 0.8870718713629503
Energy: 0.8296175712430378
Energy: 0.8495596028091135
Energy: 0.830845694823754
Energy: 0.8624902251759522
Energy: 0.830845694823754
Energy: 0.9086153425730077
Energy: 0.8339916569299035
Energy: 0.8211367744912873
Energy: 0.8339916569299035
Energy: 0.9469039211662809
Energy: 0.831283616999797
Energy: 0.8180156636034195
Energy: 0.8312836169978939
Energy: 0.8332992530882622
Energy: 0.8332978861981337
Energy: 0.8314978126640977
Energy: 0.833297886200037
Energy: 0.7990737439594111
Energy: 0.8356123014154906
Energy: 0.7770454320716494
Energy: 0.8356123014145389
Energy: 0.8046677986965961
Energy: 0.8368377102267939
Energy: 0.7948236751291184
Energy: 0.836837710223939
Energy: 0.8030904706498213
Energy: 0.7945608775298596
Energy: 0.7948008011213186
Energy: 0.7945608775298596
Energy: 0.764764577539399
Energy: 0.8444936836655746
Energy: 0.7714594670537264
Energy: 0.8444936836674778
Energy: 0.7779505338012107
Energy: 0.8495135069819298
Energy: 0.7763569054852695
Energy: 0.8495135069857362
Energy: 0.7575679712964406
Energy: 0.757884760592904
Energy: 0.776823208862538
Energy: 0.757884760592904
Energy: 0.7574801529405727
Energy: 0.7567880493468342
Energy: 0.7669326655721119
Energy: 0.7567880493496889
Energy: 0.7580061843514947
Energy: 0.8144094284951694
Energy: 0.7784377932168871
Energy: 0.814409428496121
Energy: 0.7651580160150052
Energy: 0.7584158092138639
Energy: 0.7760754278203078
Energy: 0.7584158092129123
Energy: 0.8124480921008502
Energy: 0.7908901021586192
Energy: 0.7934448356950401
Energy: 0.7908901021567158
Energy: 0.758614432041902
Energy: 0.7588788457161527
Energy: 0.7957498352456848
Energy: 0.7588788457171043
Energy: 0.7580308908307979
Energy: 0.7597110206159307
Energy: 0.7900125449946418
Energy: 0.7597110206168607
Energy: 0.7961492618145578
Energy: 0.7961013115164525
Energy: 0.7706419184285213
Energy: 0.796101311517404
Energy: 0.7964528711269196
Energy: 0.7584661704523502
Energy: 0.7947727268822535
Energy: 0.7584661704523502
Energy: 0.828732066529418
Energy: 0.7919795463693773
Energy: 0.7986255307936082
Energy: 0.7919795463693773

minimum gb energy = 0.7380830182989496 eV
minimum distance =  2.30830662516791 Angstroms
sigma value = 113


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

Energy: 0.014835212082071862
Energy: 0.015320677717752284
Energy: 0.5126594579667686
Energy: 0.10317628706503115
Energy: 0.015309172125648625
Energy: 0.10341257774834461
Energy: 0.08970038966080741
Energy: 0.10341257774834461
Energy: 0.09116297208874517
Energy: 0.10300836924017429
Energy: 0.015484526248255704
Energy: 0.10300836924159668
Energy: 0.09124187374552509
Energy: 0.10448483761136497
Energy: 0.016507525150126254
Energy: 0.10448483761205586
Energy: 0.09082550058466721
Energy: 0.10333849846002244
Energy: 0.22119655487632545
Energy: 0.1033384984307207
Energy: 0.015316727307300158
Energy: 0.10335877491569452
Energy: 0.2198556936878037
Energy: 0.10335877491638543

minimum gb energy = 0.014835212082071862 eV
minimum distance =  2.41044352157356 Angstroms
sigma value = 1