Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_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=2.863645762205124
cohesive_energy=4.290547094706602
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: 0.013215326049712046
Energy: 0.01357732758189385
Energy: 2.5529318375931287
Energy: 0.01357732758189385
Energy: 0.01357732758189385
Energy: 0.014138035152935867
Energy: 0.5545920074988416
Energy: 0.014138035153907633
Energy: 2.5529318375931287
Energy: 0.5545920074988416
Energy: 0.5542283889609178
Energy: 0.5545920074988416
Energy: 0.01357732758189385
Energy: 0.014138035153907633
Energy: 0.5545920074988416
Energy: 0.014138035153907633

minimum gb energy = 0.013215326049712046 eV
minimum distance =  2.47545094938515 Angstroms
sigma value = 1


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

Energy: 1.445977474958863
Energy: 1.2375782405815035
Energy: 1.2040415698912919
Energy: 1.2375782405815035
Energy: 1.4405892493863441
Energy: 0.8924685756861204
Energy: 0.9367213256570424
Energy: 0.8924685756861204
Energy: 1.559004616240862
Energy: 0.9351551986085476
Energy: 0.9145016674743403
Energy: 0.9351551986097597
Energy: 1.2539769268939391
Energy: 0.8935921497297984
Energy: 0.9361494625136786
Energy: 0.8935921497285862
Energy: 1.250508680653118
Energy: 0.8934644724562492
Energy: 1.3044820118282499
Energy: 0.8934644724586737
Energy: 1.455896461986533
Energy: 0.8982775235560368
Energy: 0.8981875254802028
Energy: 0.8982775235548247
Energy: 1.082717104914797
Energy: 0.898283871264222
Energy: 0.8982246375535329
Energy: 0.898283871264222
Energy: 0.8945444895105633
Energy: 0.8962781649793172
Energy: 1.2962442298380425
Energy: 0.8962781649793172
Energy: 1.0929597405925255
Energy: 1.05695412649697
Energy: 1.2562103305579195
Energy: 1.05695412649697
Energy: 1.5073122505398506
Energy: 0.8984218220756336
Energy: 1.0907936264573372
Energy: 0.8984218220768457
Energy: 0.912192030031195
Energy: 0.9593791066100643
Energy: 1.1746751979897134
Energy: 0.9593791066124887
Energy: 0.9122283318516122
Energy: 0.9120970781493049
Energy: 1.898893178226161
Energy: 0.9120970781480926
Energy: 1.10308687691845
Energy: 0.9593401762503835
Energy: 1.2539674617414103
Energy: 0.9593401762503835
Energy: 0.9334905900939392
Energy: 0.9592682771851022
Energy: 1.253411162951148
Energy: 0.9592682771863144
Energy: 0.9332383619207854
Energy: 0.8972891906798597
Energy: 1.4433395547923826
Energy: 0.8972891906798597
Energy: 0.9333583558620374
Energy: 0.897159411506937
Energy: 1.4434633569630118
Energy: 0.897159411506937
Energy: 0.9376179846930547
Energy: 0.9584835718870289
Energy: 1.2533569743110489
Energy: 0.9584835718882411
Energy: 1.1032731837119736
Energy: 0.9589836344766399
Energy: 1.252884155238613
Energy: 0.9589836344778521
Energy: 0.9159762050794121
Energy: 0.9121346549326065
Energy: 1.9568642578867514
Energy: 0.9121346549326065
Energy: 0.9120951338039425
Energy: 0.9591878192676353
Energy: 1.0871920096857721
Energy: 0.9591878192676353
Energy: 1.5072602620320652
Energy: 0.8987963486341549
Energy: 1.0899001572543396
Energy: 0.8987963486341549
Energy: 1.0922429588999112
Energy: 0.8932961847633221
Energy: 1.2562323142981813
Energy: 0.8932961847633221
Energy: 0.9948696702713081
Energy: 0.8964637911872565
Energy: 1.0968943722054734
Energy: 0.8964637911884688
Energy: 1.271350190817144
Energy: 0.8984477811315748
Energy: 0.8982069110603033
Energy: 0.8984477811327869
Energy: 1.4553433626608678
Energy: 0.8982630817808503
Energy: 0.8984129660638911
Energy: 0.8982630817820625
Energy: 1.2502234054541146
Energy: 0.8937368723367347
Energy: 1.3045014357965983
Energy: 0.8937368723367347
Energy: 1.2514992059505021
Energy: 0.8933746891266858
Energy: 0.9234909723909963
Energy: 0.8933746891278982
Energy: 1.6635416174887399
Energy: 0.9351239392378609
Energy: 0.9151047376173218
Energy: 0.9351239392390732
Energy: 1.4409518475646959
Energy: 0.8923767619520682
Energy: 0.9366594430557982
Energy: 0.8923767619508559
Energy: 1.2642341126467267
Energy: 0.8974466466617399
Energy: 0.9351865525976857
Energy: 0.8974466466617399
Energy: 1.4424529167723221
Energy: 0.8923570701163507
Energy: 0.9351543031627444
Energy: 0.8923570701187752
Energy: 1.4546742855140384
Energy: 0.9105272151926058
Energy: 0.9151279883513255
Energy: 0.910527215193818
Energy: 1.2504248468160541
Energy: 0.8934483926191981
Energy: 0.9785577704456664
Energy: 0.8934483926191981

minimum gb energy = 0.8923570701163507 eV
minimum distance =  2.34610579152447 Angstroms
sigma value = 1


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

Energy: 1.5785083755327118
Energy: 0.9408914688646719
Energy: 0.9823835707811421
Energy: 0.9408914688646719
Energy: 1.3236042150310627
Energy: 0.9208221868691923
Energy: 1.0230404163340525
Energy: 0.9208221868691923
Energy: 1.3514049656983
Energy: 0.9653700496562803
Energy: 0.9655755106745288
Energy: 0.9653700496562803
Energy: 0.9193268642319786
Energy: 0.9436671632707614
Energy: 1.0231313631570262
Energy: 0.9436671632721435
Energy: 0.9192311415159923
Energy: 0.944985825590643
Energy: 1.435964255336368
Energy: 0.9449858255920252
Energy: 1.35131336048211
Energy: 0.9437163094653535
Energy: 0.9437352607811831
Energy: 0.9437163094653535
Energy: 0.9679086297388885
Energy: 0.9940188484316919
Energy: 0.9435849517392001
Energy: 0.9940188484316919
Energy: 0.9437559130403991
Energy: 0.9435784757220934
Energy: 1.4352696014205584
Energy: 0.9435784757234754
Energy: 0.9661941361518628
Energy: 0.9196569803109997
Energy: 1.3538668210637557
Energy: 0.9196569803109997
Energy: 1.0228881745845924
Energy: 0.9193704322811594
Energy: 0.9193270947803244
Energy: 0.9193704322811594
Energy: 0.9450458816651008
Energy: 1.1122091035246933
Energy: 1.3545260127424752
Energy: 1.1122091035246933
Energy: 0.9443979736990898
Energy: 0.9439899889366475
Energy: 1.8148742024959097
Energy: 0.9439899889366475
Energy: 1.023304104794891
Energy: 0.9195863838529119
Energy: 1.3224836248663214
Energy: 0.9195863838529119
Energy: 1.0233041047962732
Energy: 0.9196482096581253
Energy: 1.3224603566529165
Energy: 0.9196482096595074
Energy: 0.9444880122820911
Energy: 0.9439621090586325
Energy: 1.8148335190378355
Energy: 0.9439621090586325
Energy: 0.9450918230885108
Energy: 1.1122517692205107
Energy: 1.3544938880063244
Energy: 1.1122517692205107
Energy: 1.022888174581828
Energy: 0.9193656698386801
Energy: 0.9193166994551302
Energy: 0.919365669837298
Energy: 0.966006339468007
Energy: 0.919582010855876
Energy: 1.3538189540698387
Energy: 0.919582010855876
Energy: 0.9436572423007064
Energy: 0.9435794071758146
Energy: 1.4352696014191764
Energy: 0.9435794071758146
Energy: 0.9676187826089181
Energy: 0.9940687672271671
Energy: 0.9437388220416704
Energy: 0.9940687672271671
Energy: 1.3513149033172211
Energy: 0.9437596468625912
Energy: 0.9437336825528838
Energy: 0.9437596468612092
Energy: 0.919320462471665
Energy: 0.9457536868886044
Energy: 1.4359642553336034
Energy: 0.9457536868886044
Energy: 0.9193116799031501
Energy: 0.94372428584408
Energy: 1.02313136315288
Energy: 0.94372428584408
Energy: 1.3513467665009025
Energy: 0.9653788010852855
Energy: 0.9655403875568522
Energy: 0.9653788010852855
Energy: 1.3239295213988262
Energy: 0.9206267895238679
Energy: 1.0230404163326705
Energy: 0.9206267895238679
Energy: 1.5785083755327118
Energy: 0.9408914688646719
Energy: 0.9823835797043965
Energy: 0.9408914688646719
Energy: 1.3236042150310627
Energy: 0.9208221868705744
Energy: 1.0230404163340525
Energy: 0.9208221868719565
Energy: 1.3514049656983
Energy: 0.9653700496562803
Energy: 0.9655755106759109
Energy: 0.9653700496562803
Energy: 0.9193268642319786
Energy: 0.9436671632721435
Energy: 1.0231313631542622
Energy: 0.9436671632707614

minimum gb energy = 0.9192311415159923 eV
minimum distance =  2.33567648062336 Angstroms
sigma value = 25


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

Energy: 1.3524342357159087
Energy: 1.1113041094295169
Energy: 1.041694803705308
Energy: 1.1113041094311236
Energy: 1.4442746435204545
Energy: 0.9934068138450741
Energy: 1.0686672948867455
Energy: 0.9934068138434675
Energy: 1.4608122547774147
Energy: 1.0240903933236527
Energy: 1.0242875402765879
Energy: 1.0240903933252594
Energy: 1.2560263383425134
Energy: 0.9888742206196195
Energy: 1.0686908076950428
Energy: 0.9888742206196195
Energy: 1.255192289366574
Energy: 0.9885265233392534
Energy: 1.2640748211674118
Energy: 0.98852652334086
Energy: 1.4600724364940032
Energy: 0.9934121693053941
Energy: 0.9933018878774009
Energy: 0.9934121693070007
Energy: 1.0203772053610043
Energy: 0.988584689222512
Energy: 0.9932762382929592
Energy: 0.988584689222512
Energy: 0.9980578830488873
Energy: 1.0198109245835878
Energy: 1.5385333821967744
Energy: 1.0198109245835878
Energy: 1.0735517625867277
Energy: 1.0771802143868283
Energy: 1.2464510491503886
Energy: 1.077180214388435
Energy: 1.0664733707956118
Energy: 0.9826635062157117
Energy: 1.2462857353032282
Energy: 0.982663506214105
Energy: 1.0613604620268726
Energy: 0.9885156611989204
Energy: 1.4487494573662463
Energy: 0.9885156611989204
Energy: 1.0530060959673004
Energy: 1.0201001202958067
Energy: 1.4480566961703312
Energy: 1.0201001202958067
Energy: 1.0880040367342778
Energy: 0.9827843982657126
Energy: 1.2464144868820175
Energy: 0.9827843982641059
Energy: 1.0736631935814247
Energy: 1.0772477314293574
Energy: 1.2462022240704016
Energy: 1.0772477314293574
Energy: 1.019952010499173
Energy: 1.0198525202044408
Energy: 1.8027322403763288
Energy: 1.0198525202044408
Energy: 1.0199872408539692
Energy: 0.9885469856294051
Energy: 0.9933325543834465
Energy: 0.9885469856294051
Energy: 1.7812765601921623
Energy: 0.9932823262067487
Energy: 0.9932970847928506
Energy: 0.9932823262067487
Energy: 1.2549149758546017
Energy: 0.9885305303957452
Energy: 1.2646918935946614
Energy: 0.9885305303973518
Energy: 1.125132482118831
Energy: 0.9886051530881423
Energy: 1.0687210490129833
Energy: 0.9886051530881423
Energy: 1.2351449462457618
Energy: 0.993298547085215
Energy: 1.02462645944087
Energy: 0.993298547085215
Energy: 1.4459737901646268
Energy: 0.993271766277724
Energy: 1.0248048968210146
Energy: 0.993271766277724
Energy: 1.2567682491480818
Energy: 0.9827807540368911
Energy: 1.0687538401587116
Energy: 0.9827807540368911
Energy: 1.4462884106087368
Energy: 1.0697874138388557
Energy: 1.0685893572168248
Energy: 1.0697874138388557
Energy: 1.6109353406893905
Energy: 1.0325769804568004
Energy: 1.0332079211402492
Energy: 1.0325769804584066
Energy: 1.2553451604567312
Energy: 0.9888070336891776
Energy: 1.0156124620106681
Energy: 0.9888070336875708

minimum gb energy = 0.982663506214105 eV
minimum distance =  2.34703339135403 Angstroms
sigma value = 9


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

Energy: 1.0014930218465032
Energy: 1.0005368070400271
Energy: 1.1317480441306822
Energy: 1.0005368070400271
Energy: 1.0010640551048653
Energy: 1.04272547456799
Energy: 1.0425449655325394
Energy: 1.04272547456799
Energy: 1.0938689046482146
Energy: 1.0940248660084322
Energy: 1.0940151148142017
Energy: 1.0940248660088243
Energy: 1.0426722886902189
Energy: 1.0426663311135556
Energy: 1.042626308807785
Energy: 1.0426663311137514
Energy: 1.0429702493999795
Energy: 1.0434784288342986
Energy: 1.0938838086770062
Energy: 1.0434784288341026
Energy: 1.7951137826699466
Energy: 1.0428938411297068
Energy: 1.0426925272926573
Energy: 1.0428938411297068
Energy: 1.042596549719684
Energy: 1.0433549894950913
Energy: 1.042948315212094
Energy: 1.0433549894952876
Energy: 1.0427623980249296
Energy: 1.0435059138366243
Energy: 1.5917183363672789
Energy: 1.0435059138368203
Energy: 1.2331327844571527
Energy: 1.0432958289497583
Energy: 1.0005990464753338
Energy: 1.0432958289495622
Energy: 1.2337149751559953
Energy: 1.000621815376115
Energy: 1.0006819328885777
Energy: 1.000621815376115
Energy: 1.043585277665573
Energy: 1.143595414037666
Energy: 1.5914858590321144
Energy: 1.143595414037666
Energy: 1.1332912959903112
Energy: 1.0004930759341506
Energy: 1.0942595347706552
Energy: 1.0004930759335844
Energy: 1.2331062868588507
Energy: 1.0426684861196365
Energy: 1.0431572545099808
Energy: 1.0426684861198325
Energy: 1.0939916745876903
Energy: 1.0976034586177414
Energy: 1.0939975111586826
Energy: 1.0976034586177414
Energy: 1.0431565566504508
Energy: 1.0426673436562994
Energy: 1.2331062868584806
Energy: 1.0426673436562994
Energy: 1.0940710688918667
Energy: 1.000508313442898
Energy: 1.1332231134480102
Energy: 1.0005083134425277
Energy: 1.5914422990930208
Energy: 1.1435845675636522
Energy: 1.0436158973267662
Energy: 1.1435845675634564
Energy: 1.0006445776174895
Energy: 1.0006297100401675
Energy: 1.2337149751561913
Energy: 1.0006297100399932
Energy: 1.0006197605148552
Energy: 1.0432800189364622
Energy: 1.2331327844575228
Energy: 1.0432800189364622
Energy: 1.591695966974622
Energy: 1.0434101924360342
Energy: 1.0427522989458495
Energy: 1.0434101924360342
Energy: 1.0429267881314772
Energy: 1.0433108753092772
Energy: 1.0440075728215552
Energy: 1.0433108753090812

minimum gb energy = 1.0004930759335844 eV
minimum distance =  2.32129956332376 Angstroms
sigma value = 25


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

Energy: 1.1449384182199625
Energy: 1.1015059237116123
Energy: 1.2035738014773945
Energy: 1.1015059237118545
Energy: 1.428247431993808
Energy: 1.197209468010586
Energy: 1.160923365352055
Energy: 1.1972094680110708
Energy: 1.2842398502060908
Energy: 1.1484056952331327
Energy: 1.1615800736822848
Energy: 1.1484056952331327
Energy: 1.1102049467626849
Energy: 1.1887601497591098
Energy: 1.1288861796421916
Energy: 1.1887601497591098
Energy: 1.1896709510614307
Energy: 1.196799820229917
Energy: 1.4698067954607827
Energy: 1.1967998202301595
Energy: 1.5355531732288064
Energy: 1.1425968874081531
Energy: 1.142479847505878
Energy: 1.1425968874079377
Energy: 1.2427224191727229
Energy: 1.1897605750967617
Energy: 1.1428361910562932
Energy: 1.1897605750977045
Energy: 1.1894095048125761
Energy: 1.2208788315845784
Energy: 1.4705435929026616
Energy: 1.2208788315838783
Energy: 1.2214750821531946
Energy: 1.1427465986282417
Energy: 1.1423818767397287
Energy: 1.1427465986282417
Energy: 1.2688813338885567
Energy: 1.1433516685197942
Energy: 1.142414841228733
Energy: 1.1433516685190939
Energy: 1.1484519409668992
Energy: 1.1891612593932643
Energy: 1.4649611350804805
Energy: 1.1891612593935068
Energy: 1.1887501234746949
Energy: 1.143496511506644
Energy: 1.1302374219632398
Energy: 1.1434965115064284
Energy: 1.416306752619348
Energy: 1.1482438246417341
Energy: 1.1496996548480458
Energy: 1.1482438246414919
Energy: 1.4460266108098458
Energy: 1.1965779740158744
Energy: 1.285605678943003
Energy: 1.196577974015632
Energy: 1.446267427378923
Energy: 1.0866991139254842
Energy: 1.2851428327209016
Energy: 1.0866991139254842
Energy: 1.4278169109534824
Energy: 1.134419741028687
Energy: 1.1290411601132306
Energy: 1.134419741029145
Energy: 1.1888984142827694
Energy: 1.1427748185098174
Energy: 1.1492895243804004
Energy: 1.1427748185100328

minimum gb energy = 1.0866991139254842 eV
minimum distance =  2.30365126212109 Angstroms
sigma value = 17


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

Energy: 1.5644467061061054
Energy: 1.1633281591480977
Energy: 1.2549402121795716
Energy: 1.1633281591480977
Energy: 1.3832782744614167
Energy: 1.2253268282776193
Energy: 1.268819906114121
Energy: 1.2253268282789618
Energy: 1.3831729336716674
Energy: 1.2110934544393235
Energy: 1.1914413186686352
Energy: 1.211093454440666
Energy: 1.1848363161126334
Energy: 1.18284724839096
Energy: 1.2342603380204114
Energy: 1.18284724839096
Energy: 1.222327457270095
Energy: 1.2248342975337658
Energy: 1.4176573459652377
Energy: 1.2248342975324236
Energy: 1.4109823576549612
Energy: 1.162027825177923
Energy: 1.20698196171615
Energy: 1.162027825177923
Energy: 1.3105430958838544
Energy: 1.1839527607794411
Energy: 1.3757599797475544
Energy: 1.1839527607794411
Energy: 1.2165291273070982
Energy: 1.1822811636467085
Energy: 1.464278888449743
Energy: 1.1822811636467085
Energy: 1.196811463493197
Energy: 1.2274240670726235
Energy: 1.1682528898991136
Energy: 1.2274240670726235
Energy: 1.4098766443366237
Energy: 1.1639818140459983
Energy: 1.230092473739418
Energy: 1.1639818140459983
Energy: 1.209669605912471
Energy: 1.2097362703562506
Energy: 1.4354033359012432
Energy: 1.2097362703549084
Energy: 1.2095902492103943
Energy: 1.227881299828963
Energy: 1.260832591026361
Energy: 1.2278812998276203
Energy: 1.3942403807887924
Energy: 1.240818479785706
Energy: 1.2616071148814203
Energy: 1.240818479785706
Energy: 1.2095190169704713
Energy: 1.2099595704918522
Energy: 1.2440298702085224
Energy: 1.2099595704918522
Energy: 1.2100452565298092
Energy: 1.1792563141508872
Energy: 1.445977010041133
Energy: 1.1792563141522296
Energy: 1.441315048314405
Energy: 1.2276724889793578
Energy: 1.1681018596325266
Energy: 1.2276724889793578
Energy: 1.2180980429352535
Energy: 1.2697426823496913
Energy: 1.2274569282197563
Energy: 1.2697426823510336
Energy: 1.19722995250548
Energy: 1.2529114325533504
Energy: 1.3943586116388205
Energy: 1.252911432552008
Energy: 1.2973957640068081
Energy: 1.1628726425155758
Energy: 1.3647133823506146
Energy: 1.1628726425155758
Energy: 1.4057997000591018
Energy: 1.1623998563868982
Energy: 1.3648356322126716
Energy: 1.1623998563868982
Energy: 1.1821188831208236
Energy: 1.259608192659205
Energy: 1.436881919725185
Energy: 1.259608192659205
Energy: 1.1821568830612526
Energy: 1.275916452544054
Energy: 1.2108046702098023
Energy: 1.275916452544054
Energy: 1.4040453250245812
Energy: 1.2108613947508575
Energy: 1.1939599842733093
Energy: 1.2108613947495153
Energy: 1.3628675506547545
Energy: 1.1684937936181672
Energy: 1.3039483571148978
Energy: 1.1684937936181672
Energy: 1.3628775600815768
Energy: 1.1674285665059951
Energy: 1.3786450099559509
Energy: 1.1674285665059951
Energy: 1.4116252139571404
Energy: 1.2097266829201327
Energy: 1.211052514648965
Energy: 1.20972668291879
Energy: 1.1791130717534772
Energy: 1.2280930199973124
Energy: 1.1938543704680615
Energy: 1.2280930199973124
Energy: 1.182870410819917
Energy: 1.1822475311799334
Energy: 1.4430050408175081
Energy: 1.1822475311812757
Energy: 1.3770471214099829
Energy: 1.1624761301828173
Energy: 1.366749585152843
Energy: 1.1624761301855022
Energy: 1.2571578146554314
Energy: 1.1621121821807214
Energy: 1.2051087886215568
Energy: 1.1621121821807214

minimum gb energy = 1.162027825177923 eV
minimum distance =  2.30905178636701 Angstroms
sigma value = 53


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

Energy: 1.194366362180112
Energy: 1.197457088577871
Energy: 1.374416242958444
Energy: 1.1974570885781521
Energy: 1.2762407043056043
Energy: 1.196027524959236
Energy: 1.1944178107709817
Energy: 1.196027524959868
Energy: 1.1942864298410114
Energy: 1.2971453559216606
Energy: 1.3068043725179144
Energy: 1.2971453559216606
Energy: 1.3067910641153888
Energy: 1.2971248948377176
Energy: 1.1941791013461884
Energy: 1.2971248948377176
Energy: 1.194230854575597
Energy: 1.1973571589984133
Energy: 1.2763882181400787
Energy: 1.1973571589984133
Energy: 2.5181404678144954
Energy: 1.197457088577555
Energy: 1.1943663621797957
Energy: 1.197457088577555
Energy: 1.1944178107706658
Energy: 1.196027524959236
Energy: 1.2762407043059203
Energy: 1.1960275249589198
Energy: 1.3068043725181955
Energy: 1.2971453559219415
Energy: 1.19428643021265
Energy: 1.2971453559216606
Energy: 1.1941791013137728
Energy: 1.2971248948377176
Energy: 1.3067910641157048
Energy: 1.2971248948374015
Energy: 1.276388218140395
Energy: 1.1973571589986944
Energy: 1.194230854575281
Energy: 1.1973571589984133
Energy: 1.1943663621797957
Energy: 1.197457088577555
Energy: 1.374416271037799
Energy: 1.197457088577871
Energy: 1.2762407043056043
Energy: 1.196027524959552
Energy: 1.1944178107709817
Energy: 1.196027524959552
Energy: 1.1942864306377057
Energy: 1.2971453559216606
Energy: 1.3068043725175984
Energy: 1.2971453559216606

minimum gb energy = 1.1941791013137728 eV
minimum distance =  2.31510925725941 Angstroms
sigma value = 9


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

Energy: 1.3937339074681225
Energy: 1.2865580942242105
Energy: 1.4462070069878288
Energy: 1.2865580942253543
Energy: 1.5522805735022691
Energy: 1.2781638766492465
Energy: 1.3932213084207807
Energy: 1.2781638766503902
Energy: 1.3226737916313382
Energy: 1.251015163543254
Energy: 1.2512640000666213
Energy: 1.251015163543254
Energy: 1.2618443707767557
Energy: 1.2748618669610199
Energy: 1.365337250752653
Energy: 1.2748618669621639
Energy: 1.3187627898471348
Energy: 1.2377679228810268
Energy: 1.5555386344725086
Energy: 1.237767922879883
Energy: 1.5198866489922325
Energy: 1.3491106198212965
Energy: 1.3913333974509987
Energy: 1.3491106198224403
Energy: 1.3813228652078604
Energy: 1.3282323741587183
Energy: 1.5785031914234529
Energy: 1.3282323741598623
Energy: 1.237913773840987
Energy: 1.2828384555669363
Energy: 1.3255234121300263
Energy: 1.2828384555657923
Energy: 1.330346289230192
Energy: 1.2513864152032024
Energy: 1.2863842575775046
Energy: 1.2513864152032024
Energy: 1.398009263258328
Energy: 1.2514479611195173
Energy: 1.3497485408717578
Energy: 1.2514479611206613
Energy: 1.2625264285677964
Energy: 1.357423209126878
Energy: 1.548211647933742
Energy: 1.357423209126878
Energy: 1.595729562374315
Energy: 1.3341956261921317
Energy: 1.3260432862840752
Energy: 1.3341956261921317
Energy: 1.3123327088428212
Energy: 1.2664396078934919
Energy: 1.2689672138238015
Energy: 1.2664396078912041
Energy: 1.3167776371010258
Energy: 1.325297055904972
Energy: 1.417998697133814
Energy: 1.325297055904972
Energy: 1.3217000729524193
Energy: 1.2829966036322418
Energy: 1.266381691091627
Energy: 1.2829966036333855
Energy: 1.5526851229520955
Energy: 1.2663869179973724
Energy: 1.2717275699697421
Energy: 1.2663869179973724
Energy: 1.4299727982432233
Energy: 1.2670704411615619
Energy: 1.6179266355971278
Energy: 1.2670704411638496
Energy: 1.265778294106905
Energy: 1.3564551002120517
Energy: 1.3451703631461263
Energy: 1.3564551002120517
Energy: 1.5874686115605878
Energy: 1.3518870450949254
Energy: 1.3085435863623882
Energy: 1.3518870450949254
Energy: 1.2826484932890714
Energy: 1.2663158616921428
Energy: 1.2820256228122289
Energy: 1.2663158616932866
Energy: 1.2369338847250277
Energy: 1.283354786772879
Energy: 1.308396197886908
Energy: 1.283354786772879
Energy: 1.5312621529946575
Energy: 1.2375164653626456
Energy: 1.3884585561051406
Energy: 1.2375164653637896
Energy: 1.4166068335897433
Energy: 1.345918147423576
Energy: 1.389665633486543
Energy: 1.345918147423576
Energy: 1.3375817928288978
Energy: 1.3571438675325902
Energy: 1.4825946105273478
Energy: 1.3571438675314462
Energy: 1.2607556185468238
Energy: 1.2830492465615397
Energy: 1.2508490517380946
Energy: 1.283049246560396
Energy: 1.4920060286574863
Energy: 1.3101236646667733
Energy: 1.251389013360828
Energy: 1.3101236646656296
Energy: 1.5772398874394704
Energy: 1.2329992616076604
Energy: 1.5645630105943742
Energy: 1.2329992616076604
Energy: 1.3928081716666731
Energy: 1.2328788227542837
Energy: 1.5638139495772432
Energy: 1.23287882275314
Energy: 1.477728303386395
Energy: 1.3107926990869456
Energy: 1.2989355550953547
Energy: 1.3107926990869456
Energy: 1.2604675081741241
Energy: 1.283706806984899
Energy: 1.250814419973928
Energy: 1.283706806984899
Energy: 1.3113225620475901
Energy: 1.354733671847481
Energy: 1.4785403281736822
Energy: 1.354733671847481
Energy: 1.4168128457150113
Energy: 1.2373020337422715
Energy: 1.3923420328457348
Energy: 1.2373020337434153
Energy: 1.6240652092802355
Energy: 1.237308063257321
Energy: 1.388553842485104
Energy: 1.237308063257321
Energy: 1.2369691330996602
Energy: 1.283749569147836
Energy: 1.5697329150700425
Energy: 1.283749569147836
Energy: 1.2589862282289557
Energy: 1.266542727896044
Energy: 1.2817467547035433
Energy: 1.2665427278949

minimum gb energy = 1.23287882275314 eV
minimum distance =  2.27054698590158 Angstroms
sigma value = 73


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

Energy: 1.4448595423302122
Energy: 1.3572134594339746
Energy: 1.4953915491225545
Energy: 1.35721345943416
Energy: 1.4695233690738203
Energy: 1.2977969689884399
Energy: 1.4058413574526238
Energy: 1.2977969689880688
Energy: 1.349634211981396
Energy: 1.315099256491386
Energy: 1.2293849406537274
Energy: 1.3150992564919222
Energy: 1.2765135336500417
Energy: 1.2568031502483004
Energy: 1.3727482136243727
Energy: 1.2568031502481147
Energy: 1.4298717812443942
Energy: 1.2568264750551996
Energy: 1.4592630290234785
Energy: 1.2568264750557356
Energy: 1.6705637816602272
Energy: 1.3796041584915393
Energy: 1.23974041356418
Energy: 1.3796041584915393
Energy: 1.3165841395409856
Energy: 1.3001058686444518
Energy: 1.504517249829626
Energy: 1.3001058686442661
Energy: 1.2586126865899983
Energy: 1.2567827548744643
Energy: 1.3604541581436402
Energy: 1.2567827548746293
Energy: 1.5278940675644137
Energy: 1.314809281459828
Energy: 1.3543886864695958
Energy: 1.3148092814601995
Energy: 1.2568233032033913
Energy: 1.3150934481760619
Energy: 1.3548521400684117
Energy: 1.3150934481760619
Energy: 1.2566719369946313
Energy: 1.2567394287471654
Energy: 1.6456692960639558
Energy: 1.2567394287473304
Energy: 1.56479007555095
Energy: 1.2566987508834448
Energy: 1.4778305206382485
Energy: 1.256698750883094
Energy: 1.4283237003923048
Energy: 1.2570505411441628
Energy: 1.2384385086356566
Energy: 1.257050541144699
Energy: 1.3147795788198795
Energy: 1.4229201830210312
Energy: 1.526394629529695
Energy: 1.422920183020846
Energy: 1.2761565013283052
Energy: 1.2566585791045735
Energy: 1.3145429030547806
Energy: 1.2566585791044085
Energy: 1.4076022610602232
Energy: 1.315168275513443
Energy: 1.2296286559087577
Energy: 1.3151682755130718
Energy: 1.4302812369488207
Energy: 1.2382300168460123
Energy: 1.653187699605603
Energy: 1.2382300168460123
Energy: 1.4305721134775404
Energy: 1.2381879913945022
Energy: 1.6523918542731473
Energy: 1.2381879913945022
Energy: 1.5950337979342448
Energy: 1.3155591821819232
Energy: 1.3147325338026572
Energy: 1.3155591821819232
Energy: 1.2760324311602058
Energy: 1.2568002003107632
Energy: 1.2294028289331758
Energy: 1.2568002003109486
Energy: 1.350463656895201
Energy: 1.2777637806748574
Energy: 1.5287193791297475
Energy: 1.2777637806748574
Energy: 1.4283187148568084
Energy: 1.2568416451494036
Energy: 1.2383470798934944
Energy: 1.256841645149218

minimum gb energy = 1.2293849406537274 eV
minimum distance =  2.26832138416083 Angstroms
sigma value = 7


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

Energy: 1.5800839557593078
Energy: 1.386340329648164
Energy: 1.4858906506026106
Energy: 1.3863403296468808
Energy: 1.5164797897416624
Energy: 1.3062332064722975
Energy: 1.3169747184636136
Energy: 1.3062332064722975
Energy: 1.2995796555597579
Energy: 1.2794862315593951
Energy: 1.280948598523111
Energy: 1.2794862315606783
Energy: 1.3048320578796555
Energy: 1.2322119627118893
Energy: 1.280301178500893
Energy: 1.2322119627118893
Energy: 1.393281139011227
Energy: 1.2797091640601037
Energy: 1.2317977275662684
Energy: 1.2797091640601037
Energy: 1.8140565080526438
Energy: 1.2318231611622001
Energy: 1.234634367444235
Energy: 1.2318231611622001
Energy: 1.273511816764613
Energy: 1.3140696192385588
Energy: 1.5851152209407484
Energy: 1.3140696192385588
Energy: 1.2347735665591273
Energy: 1.2320943295366455
Energy: 1.3868906799338392
Energy: 1.2320943295353621
Energy: 1.6223305196359756
Energy: 1.2799919335833285
Energy: 1.3163467702185137
Energy: 1.279991933582045
Energy: 1.2795269500992268
Energy: 1.2319842065146525
Energy: 1.305168006154902
Energy: 1.231984206513369
Energy: 1.2794513274241586
Energy: 1.279628949836044
Energy: 1.382024016654604
Energy: 1.279628949836044
Energy: 1.726833325608185
Energy: 1.2318916966245028
Energy: 1.4957549797660257
Energy: 1.2318916966245028
Energy: 1.7235236474461482
Energy: 1.2322819664995912
Energy: 1.497385904074911
Energy: 1.2322819664995912
Energy: 1.2801398819667342
Energy: 1.2799722256168362
Energy: 1.6509854111800644
Energy: 1.2799722256181194
Energy: 1.2793586305699318
Energy: 1.2319212029809272
Energy: 1.2995540509964525
Energy: 1.2319212029809272
Energy: 1.6212330083806323
Energy: 1.3820537194017048
Energy: 1.3141522844157927
Energy: 1.3820537194017048
Energy: 1.2315290940206167
Energy: 1.2320324454810074
Energy: 1.3869379716183092
Energy: 1.2320324454822615
Energy: 1.2319025952351779
Energy: 1.2796626715890889
Energy: 1.6134680290900565
Energy: 1.2796626715878057
Energy: 1.8293467831290702
Energy: 1.2318899394326701
Energy: 1.231675013399358
Energy: 1.2318899394326701
Energy: 1.3880027015374081
Energy: 1.280287139752785
Energy: 1.2317067664454127
Energy: 1.280287139752785
Energy: 1.2995777445850185
Energy: 1.3138549002932909
Energy: 1.3996479441888223
Energy: 1.3138549002932909
Energy: 1.2994540526423877
Energy: 1.27993027713571
Energy: 1.2844943949043925
Energy: 1.27993027713571
Energy: 1.5165672351345574
Energy: 1.3081192185457555
Energy: 1.3156812708644947
Energy: 1.3081192185457555
Energy: 1.494714453496431
Energy: 1.2326326054478272
Energy: 1.7226314055365226
Energy: 1.2326326054478272
Energy: 1.5002531700785477
Energy: 1.231649061570354
Energy: 1.3018672397769795
Energy: 1.2316490615716371
Energy: 1.3825854136177211
Energy: 1.2802229720846792
Energy: 1.2844362847081143
Energy: 1.2802229720846792
Energy: 1.3012645105841703
Energy: 1.2321168082108684
Energy: 1.2802013960642211
Energy: 1.2321168082121519
Energy: 1.3873732917075727
Energy: 1.2800000000277252
Energy: 1.5564841115654102
Energy: 1.2800000000277252
Energy: 1.3868915440152263
Energy: 1.2317115727625028
Energy: 1.231513621954884
Energy: 1.2317115727625028
Energy: 1.5907833455015685
Energy: 1.332275068284071
Energy: 1.5909795650935175
Energy: 1.332275068284071
Energy: 1.2315048771848518
Energy: 1.2316933585011103
Energy: 1.3868915440152263
Energy: 1.2316933585011103

minimum gb energy = 1.2315048771848518 eV
minimum distance =  2.28850305395577 Angstroms
sigma value = 29


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

Energy: 1.1112473548402204
Energy: 1.1997861158501715
Energy: 1.4983048648890576
Energy: 1.1997861158501715
Energy: 1.5771291954471283
Energy: 1.1905789870379455
Energy: 1.1976517854984101
Energy: 1.1905789870383678
Energy: 1.4980172398691705
Energy: 1.1676510811471144
Energy: 1.1689482048871396
Energy: 1.1676510811471144
Energy: 1.6281887445550998
Energy: 1.1998360848865142
Energy: 1.1683734437289839
Energy: 1.1998360848865142
Energy: 1.6633520936648003
Energy: 1.1677788386589176
Energy: 1.1681788639335584
Energy: 1.1677788386589176
Energy: 1.4485006765867905
Energy: 1.1688975539304702
Energy: 1.1677819585399911
Energy: 1.1688975539308923
Energy: 1.5773677522549137
Energy: 1.1676084484737355
Energy: 1.4772181095444399
Energy: 1.1676084484737355
Energy: 1.1097493892947634
Energy: 1.1692158099010495
Energy: 1.833583892889079
Energy: 1.1692158099006027
Energy: 1.6150106788340504
Energy: 1.1981105317810214
Energy: 1.1985923076374263
Energy: 1.1981105317805993

minimum gb energy = 1.1097493892947634 eV
minimum distance =  2.34076091284208 Angstroms
sigma value = 5


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

Energy: 1.3620150824350559
Energy: 1.238426420999351
Energy: 1.5479706506690991
Energy: 1.2384264210005629
Energy: 1.3561389944067088
Energy: 1.2125143666304796
Energy: 1.3198012537201538
Energy: 1.2125143666304796
Energy: 1.2750445735068507
Energy: 1.2675714777254303
Energy: 1.265948674084295
Energy: 1.2675714777254303
Energy: 1.2749488523278176
Energy: 1.2767803627389058
Energy: 1.343607451581644
Energy: 1.2767803627389058
Energy: 1.2065246897179769
Energy: 1.2667099047287826
Energy: 1.2386778964736422
Energy: 1.2667099047299948
Energy: 1.339040653714856
Energy: 1.2961918750757766
Energy: 1.235958481274113
Energy: 1.2961918750745645
Energy: 1.340722110825656
Energy: 1.2504162833583412
Energy: 1.3932467312712455
Energy: 1.2504162833583412
Energy: 1.343212913319519
Energy: 1.249878713450738
Energy: 1.5186635492044587
Energy: 1.249878713450738
Energy: 1.544091539761691
Energy: 1.2300487602334986
Energy: 1.3331754133825116
Energy: 1.2300487602322863
Energy: 1.5459959274769028
Energy: 1.230294489203978
Energy: 1.335796171166255
Energy: 1.2302944892027656
Energy: 1.2658223621769973
Energy: 1.267715773757456
Energy: 1.404167208890619
Energy: 1.267715773757456
Energy: 1.2668410820713747
Energy: 1.2675453701181978
Energy: 1.2359984748509096
Energy: 1.2675453701181978
Energy: 1.369856105943079
Energy: 1.3189082346636016
Energy: 1.2347782926689876
Energy: 1.3189082346636016
Energy: 1.224348855279969
Energy: 1.268836096880303
Energy: 1.2349018827202112
Energy: 1.268836096881515
Energy: 1.2470504599182854
Energy: 1.368848049696182
Energy: 1.4440384263769424
Energy: 1.368848049696182
Energy: 1.5870516360612301
Energy: 1.2411605944057702
Energy: 1.3319289925264732
Energy: 1.2411605944045583
Energy: 1.4394101216112674
Energy: 1.23139727763196
Energy: 1.4604862221110146
Energy: 1.23139727763196
Energy: 1.245093694497419
Energy: 1.251989513718952
Energy: 1.5239122791836497
Energy: 1.251989513718952
Energy: 1.341621359200832
Energy: 1.2475102026989853
Energy: 1.2952571220167326
Energy: 1.2475102026989853
Energy: 1.2634275644987183
Energy: 1.2670203730708074
Energy: 1.2408295863965701
Energy: 1.2670203730720195
Energy: 1.2645144389364085
Energy: 1.2761160318213296
Energy: 1.296147235865821
Energy: 1.2761160318213296
Energy: 1.3544411437849386
Energy: 1.2671293665032861
Energy: 1.2498954259467179
Energy: 1.2671293665044983
Energy: 1.2752388955588803
Energy: 1.2662054460681953
Energy: 1.2517820285223908
Energy: 1.2662054460681953
Energy: 1.4670849521008114
Energy: 1.2273109671767046
Energy: 1.6487310522687053
Energy: 1.2273109671779168
Energy: 1.4627378155828838
Energy: 1.2277485963086938
Energy: 1.7012073044797411
Energy: 1.2277485963074817
Energy: 1.4508484162773048
Energy: 1.265832935219057
Energy: 1.249702080779544
Energy: 1.2658329352202689
Energy: 1.278872142562021
Energy: 1.2655810256908868
Energy: 1.2519472446138358
Energy: 1.2655810256908868
Energy: 1.3026413676729514
Energy: 1.277573780632474
Energy: 1.408280728186542
Energy: 1.277573780632474
Energy: 1.265189795026442
Energy: 1.2673093513585627
Energy: 1.2381734944431235
Energy: 1.2673093513585627
Energy: 1.3570570771132917
Energy: 1.3726358738110485
Energy: 1.3029536796798855
Energy: 1.3726358738110485
Energy: 1.3386682862383255
Energy: 1.252490412084233
Energy: 1.390577818539219
Energy: 1.252490412084233
Energy: 1.3399923410888073
Energy: 1.2205073197297496
Energy: 1.5142311018281036
Energy: 1.2205073197285374
Energy: 1.7059657562917292
Energy: 1.2325301018596748
Energy: 1.3312298150000947
Energy: 1.232530101860887

minimum gb energy = 1.2065246897179769 eV
minimum distance =  2.27536334390912 Angstroms
sigma value = 1


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

Energy: 1.2332073833497337
Energy: 1.184656352369337
Energy: 1.5526851120662293
Energy: 1.184656352369337
Energy: 1.1801237446273436
Energy: 1.1950566740868738
Energy: 1.2463949952693387
Energy: 1.1950566740868738
Energy: 1.3913734800591384
Energy: 1.245242776823676
Energy: 1.3089053094838428
Energy: 1.245242776823676
Energy: 1.2455814142855255
Energy: 1.24571062333063
Energy: 1.2724821080816155
Energy: 1.24571062333063
Energy: 1.195514619525636
Energy: 1.1847680898692872
Energy: 1.1954492750794674
Energy: 1.1847680898692872
Energy: 1.1959772248768035
Energy: 1.2459764627483396
Energy: 1.1954113806696351
Energy: 1.2459764627483396
Energy: 1.2728167047578929
Energy: 1.245474154759795
Energy: 1.3895101074043077
Energy: 1.245474154759795
Energy: 1.2771456371109275
Energy: 1.2451830354521878
Energy: 1.3926028569175108
Energy: 1.2451830354521878
Energy: 1.4792918775907762
Energy: 1.1844738805138308
Energy: 1.2039787495304728
Energy: 1.1844738805138308
Energy: 1.4792918775907762
Energy: 1.1844602957451684
Energy: 1.203981286695637
Energy: 1.1844602957434924
Energy: 1.2755896346015962
Energy: 1.2452124640296498
Energy: 1.3926028569158349
Energy: 1.2452124640296498
Energy: 1.2727979863786203
Energy: 1.2454869442238776
Energy: 1.3895101074043077
Energy: 1.2454869442238776
Energy: 1.1961101369838307
Energy: 1.2460357330072136
Energy: 1.1952876577202263
Energy: 1.2460357330072136
Energy: 1.1955133696758975
Energy: 1.1848028549461926
Energy: 1.195600445161852
Energy: 1.1848028549461926
Energy: 1.245466203823388
Energy: 1.2455667114645321
Energy: 1.2724161135125776
Energy: 1.2455667114645321
Energy: 1.3913734800591384
Energy: 1.2452418585909608
Energy: 1.3087952240696141
Energy: 1.2452418585909608
Energy: 1.1801907256808526
Energy: 1.1948813337818487
Energy: 1.2463854382436763
Energy: 1.1948813337818487
Energy: 1.2332073833497337
Energy: 1.184656352369337
Energy: 1.5526851110158186
Energy: 1.184656352369337
Energy: 1.1801237446273436
Energy: 1.1950566740868738
Energy: 1.2463949952693387
Energy: 1.1950566740868738
Energy: 1.3913734800591384
Energy: 1.245242776823676
Energy: 1.3089053094838428
Energy: 1.245242776823676
Energy: 1.2455814142872015
Energy: 1.24571062333063
Energy: 1.2724821080799393
Energy: 1.24571062333063
Energy: 1.195514619525636
Energy: 1.1847680898692872
Energy: 1.1954492750794674
Energy: 1.1847680898692872
Energy: 1.1959772248768035
Energy: 1.2459764627483396
Energy: 1.1954113806696351
Energy: 1.2459764627483396
Energy: 1.2728167047578929
Energy: 1.245474154759795
Energy: 1.3895101074059837
Energy: 1.245474154759795

minimum gb energy = 1.1801237446273436 eV
minimum distance =  2.28675574632709 Angstroms
sigma value = 17


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

Energy: 1.4187545798264884
Energy: 1.2189608394420821
Energy: 1.782286679170413
Energy: 1.218960839441046
Energy: 1.3134301562019257
Energy: 1.2241789491021529
Energy: 1.2964622792953695
Energy: 1.2241789491011168
Energy: 1.2460170526504522
Energy: 1.2232933837596394
Energy: 1.2374027797763882
Energy: 1.2232933837575675
Energy: 1.273952783779582
Energy: 1.2346718543543613
Energy: 1.3800705622923168
Energy: 1.2346718543533253
Energy: 1.2524523709067048
Energy: 1.2176679974164462
Energy: 1.241170134529047
Energy: 1.2176679974185178
Energy: 1.261943303416159
Energy: 1.2491982922298777
Energy: 1.2412014993298206
Energy: 1.2491982922309135
Energy: 1.2272796976353668
Energy: 1.2304727986682602
Energy: 1.218092670782668
Energy: 1.2304727986682602
Energy: 1.225442259576854
Energy: 1.2304338247321704
Energy: 1.2515186830844487
Energy: 1.2304338247321704
Energy: 1.4510974881566336
Energy: 1.2067086862746272
Energy: 1.3915593469106426
Energy: 1.2067086862746272
Energy: 1.490852150559853
Energy: 1.2069299861625595
Energy: 1.3912512756682736
Energy: 1.2069299861625595
Energy: 1.2857464870993058
Energy: 1.210802389311152
Energy: 1.251881690770185
Energy: 1.210802389311152
Energy: 1.2825585632743035
Energy: 1.2110555846461872
Energy: 1.2502216648215174
Energy: 1.2110555846451514
Energy: 1.2702349447137933
Energy: 1.2361762501502642
Energy: 1.2414584141787859
Energy: 1.2361762501492282
Energy: 1.226725216915866
Energy: 1.2178644706965367
Energy: 1.2401934320535033
Energy: 1.2178644706955009
Energy: 1.2256684930232058
Energy: 1.2569725773740608
Energy: 1.2452621293483006
Energy: 1.2569725773750966
Energy: 1.2286051863460599
Energy: 1.230528511423772
Energy: 1.2371888849085284
Energy: 1.230528511423772
Energy: 1.3772361489343667
Energy: 1.2124744099768892
Energy: 1.2762397968952504
Energy: 1.2124744099748173
Energy: 1.279553454890705
Energy: 1.2199256086140433
Energy: 1.4726082705417833
Energy: 1.2199256086130075
Energy: 1.2804917772540636
Energy: 1.2009031982503635
Energy: 1.2765779231282675
Energy: 1.2009031982524354
Energy: 1.5908717670227104
Energy: 1.2155003879110775
Energy: 1.2814198289511487
Energy: 1.2155003879131494
Energy: 1.2583440851597791
Energy: 1.3286201230135188
Energy: 1.3699674743643342
Energy: 1.328620123014555
Energy: 1.2265312675904545
Energy: 1.2180711924212113
Energy: 1.2250750068848715
Energy: 1.2180711924232832
Energy: 1.324864150282517
Energy: 1.3025874748737456
Energy: 1.2766204882538337
Energy: 1.3025874748727098
Energy: 1.219293250576875
Energy: 1.2311089319309536
Energy: 1.2053181359984253
Energy: 1.2311089319299178
Energy: 1.2206536727593753
Energy: 1.2579955906084737
Energy: 1.29246183277435
Energy: 1.2579955906074378
Energy: 1.2476466878578172
Energy: 1.218281735699803
Energy: 1.2240594740086084
Energy: 1.2182817356987672
Energy: 1.3306812876095317
Energy: 1.2184552486040847
Energy: 1.2868171044152672
Energy: 1.2184552486040847
Energy: 1.3838353186843424
Energy: 1.1926563431177377
Energy: 1.659937123825286
Energy: 1.1926563431156656
Energy: 1.3888246338748202
Energy: 1.1933419476857023
Energy: 1.5032539305603987
Energy: 1.1933419476857023
Energy: 1.2460743394204943
Energy: 1.2185555431725512
Energy: 1.224276605029542
Energy: 1.2185555431725512
Energy: 1.2491682437870724
Energy: 1.2186748572367545
Energy: 1.2869738021986115
Energy: 1.2186748572377906
Energy: 1.2191786427546165
Energy: 1.2560053997938967
Energy: 1.2484208857435244
Energy: 1.2560053997938967
Energy: 1.220723186601796
Energy: 1.2315235361425572
Energy: 1.2032426629665145
Energy: 1.2315235361435932
Energy: 1.3019210499041038
Energy: 1.2347109502340863
Energy: 1.2256225944197714
Energy: 1.2347109502351221
Energy: 1.2253284003631564
Energy: 1.2187771544729937
Energy: 1.2582238436743887
Energy: 1.2187771544750656
Energy: 1.3345513042563988
Energy: 1.1987374956612582
Energy: 1.371495061140593
Energy: 1.1987374956602224
Energy: 1.6446709593536382
Energy: 1.2101420473507412
Energy: 1.2811923237216793
Energy: 1.2101420473507412
Energy: 1.3785899228778578
Energy: 1.2001289951278136
Energy: 1.2939608631112036
Energy: 1.2001289951267775

minimum gb energy = 1.1926563431156656 eV
minimum distance =  2.28195671251196 Angstroms
sigma value = 89


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

Energy: 1.3183151733877758
Energy: 1.136905982302597
Energy: 1.5232689969691529
Energy: 1.1369059823023198
Energy: 1.2192007148115285
Energy: 1.1699471495755827
Energy: 1.272211607602861
Energy: 1.1699471495753055
Energy: 1.3418464760495097
Energy: 1.127936456467593
Energy: 1.1420510249852869
Energy: 1.127936456467593
Energy: 1.1898514950027477
Energy: 1.198463923171609
Energy: 1.3419864049633083
Energy: 1.1984639231713627
Energy: 1.205746532919739
Energy: 1.1836973239478081
Energy: 1.1853119577139815
Energy: 1.183697323947531
Energy: 1.1824085133843965
Energy: 1.3563510259547216
Energy: 1.1852900262596648
Energy: 1.3563510259549678
Energy: 1.1852725659647803
Energy: 1.1280723892805053
Energy: 1.1850553855510146
Energy: 1.1280723892799818
Energy: 1.1835216970533042
Energy: 1.1956132019978631
Energy: 1.3444862933838775
Energy: 1.1956132019981403
Energy: 1.3431626784005355
Energy: 1.1838933528598246
Energy: 1.1225719402662544
Energy: 1.1838933528601019
Energy: 1.1827338678372346
Energy: 1.18471315836397
Energy: 1.121347728912402
Energy: 1.18471315836397
Energy: 1.262992708568599
Energy: 1.1278973513848018
Energy: 1.3443957685200085
Energy: 1.1278973513848018
Energy: 1.262837610308062
Energy: 1.1289054655684712
Energy: 1.3443692659577648
Energy: 1.1289054655687485
Energy: 1.3429612410770437
Energy: 1.1840619825298877
Energy: 1.1230202173416404
Energy: 1.1840619825304113
Energy: 1.3415854224737171
Energy: 1.1849785136693027
Energy: 1.1212311296919093
Energy: 1.1849785136693027
Energy: 1.1849266634877358
Energy: 1.1838798376451525
Energy: 1.257077008899403
Energy: 1.1838798376448754

minimum gb energy = 1.1212311296919093 eV
minimum distance =  2.28424827643803 Angstroms
sigma value = 13


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

Energy: 1.1942233844324333
Energy: 1.1038172400583035
Energy: 1.4798753198467232
Energy: 1.1038172400571673
Energy: 1.186328519701193
Energy: 1.1015680573937336
Energy: 1.1351792111937717
Energy: 1.1015680573937336
Energy: 1.2331294482534039
Energy: 1.0862270380944103
Energy: 1.1837046590175015
Energy: 1.0862270380944103
Energy: 1.1700736932326843
Energy: 1.1058471141788448
Energy: 1.1347974138230275
Energy: 1.1058471141788448
Energy: 1.1131923659498133
Energy: 1.1150422130861541
Energy: 1.153887791551971
Energy: 1.1150422130850182
Energy: 1.2385046741763575
Energy: 1.1158742811761546
Energy: 1.1736048444178926
Energy: 1.1158742811761546
Energy: 1.1378463091584823
Energy: 1.0863232463586086
Energy: 1.1468468911150402
Energy: 1.0863232463586086
Energy: 1.140928396172863
Energy: 1.1309216326091982
Energy: 1.1363834357292824
Energy: 1.1309216326091982
Energy: 1.1473320158813032
Energy: 1.114917526873852
Energy: 1.104683972900307
Energy: 1.1149175268749885
Energy: 1.3086880727300578
Energy: 1.115603496760046
Energy: 1.1942168161703706
Energy: 1.115603496760046
Energy: 1.166105047694352
Energy: 1.0862578233056708
Energy: 1.227042683445812
Energy: 1.0862578233056708
Energy: 1.1585195466116327
Energy: 1.0871262367664558
Energy: 1.1365158907780055
Energy: 1.087126236767592
Energy: 1.2234174026318705
Energy: 1.0993416041108153
Energy: 1.1699030060081985
Energy: 1.0993416041108153
Energy: 1.2160200092562292
Energy: 1.1014324592319724
Energy: 1.2998552306881468
Energy: 1.1014324592319724
Energy: 1.1657784852019535
Energy: 1.0863247673523193
Energy: 1.2255317660340355
Energy: 1.0863247673523193
Energy: 1.1585654560007643
Energy: 1.0873093179576454
Energy: 1.2333096147889338
Energy: 1.0873093179576454
Energy: 1.2236846310373044
Energy: 1.1148834814960604
Energy: 1.1047863528910082
Energy: 1.1148834814960604
Energy: 1.1534892236366892
Energy: 1.1153563972182068
Energy: 1.1946456831290206
Energy: 1.1153563972182068
Energy: 1.137448421250787
Energy: 1.0870489251175697
Energy: 1.1419743738250852
Energy: 1.0870489251175697
Energy: 1.1419892568199264
Energy: 1.0870218820583055
Energy: 1.1374483738120698
Energy: 1.0870218820583055
Energy: 1.1946581300174035
Energy: 1.1151453357867738
Energy: 1.1535160637351685
Energy: 1.11514533578791
Energy: 1.1047700874710515
Energy: 1.1148646788224945
Energy: 1.2236846310418488
Energy: 1.1148646788236305
Energy: 1.2333096147843892
Energy: 1.0868263054554974
Energy: 1.1585306718979023
Energy: 1.0868263054554974
Energy: 1.2255317660283547
Energy: 1.0863154983571222
Energy: 1.1585957133776714
Energy: 1.0863154983571222
Energy: 1.2997457267398338
Energy: 1.1014760932650318
Energy: 1.2159779694145805
Energy: 1.1014760932650318
Energy: 1.176463369431032
Energy: 1.0993407550663785
Energy: 1.2234174026307345
Energy: 1.0993407550663785
Energy: 1.1364834328767597
Energy: 1.087153484620545
Energy: 1.1586016742373155
Energy: 1.087153484619409
Energy: 1.2270426834469481
Energy: 1.0862475419491302
Energy: 1.165200957733409
Energy: 1.0862475419491302
Energy: 1.1941694761452142
Energy: 1.1156060906075982
Energy: 1.3090199802418574
Energy: 1.1156060906075982
Energy: 1.1047071345677464
Energy: 1.1149194543184042
Energy: 1.1474065562774718
Energy: 1.1149194543184042
Energy: 1.1363972812887158
Energy: 1.1309246002259912
Energy: 1.1409284513700122
Energy: 1.1309246002271272
Energy: 1.1468374372094432
Energy: 1.0863149056048196
Energy: 1.137883339104267
Energy: 1.0863149056048196
Energy: 1.1736312906287192
Energy: 1.1156394812768688
Energy: 1.2384185618586703
Energy: 1.1156394812768688
Energy: 1.1538943012909795
Energy: 1.1150268059147124
Energy: 1.113186934312227
Energy: 1.1150268059147124
Energy: 1.1351485200990632
Energy: 1.1058490200514377
Energy: 1.170295682625525
Energy: 1.1058490200514377

minimum gb energy = 1.0862270380944103 eV
minimum distance =  2.3044548082078 Angstroms
sigma value = 37


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

Energy: 1.188884565343027
Energy: 1.0322295060653408
Energy: 1.429020550587905
Energy: 1.032229506065141
Energy: 1.217092673850087
Energy: 1.0519037153857491
Energy: 1.1087286628536133
Energy: 1.0519037153857491
Energy: 1.2253052295257139
Energy: 1.015797768856976
Energy: 1.1404600948262502
Energy: 1.015797768857176
Energy: 1.1477179244899423
Energy: 1.0315092711537635
Energy: 1.1086265245355893
Energy: 1.0315092711539635
Energy: 1.1031768255081127
Energy: 1.0137859392917772
Energy: 1.2144535108591452
Energy: 1.013785939291977
Energy: 1.1908020506500379
Energy: 1.0563062080596894
Energy: 1.1289786678214773
Energy: 1.0563062080596894
Energy: 1.105826539618892
Energy: 1.0158061882143412
Energy: 1.1000760691345215
Energy: 1.0158061882143412
Energy: 1.1051812620662198
Energy: 1.1564616824107705
Energy: 1.1244249617143636
Energy: 1.1564616824105707
Energy: 1.1124892315407118
Energy: 1.013815907287529
Energy: 1.1243545989777977
Energy: 1.0138159072877289
Energy: 1.1901417787175592
Energy: 1.0562289669983471
Energy: 1.1249942247341589
Energy: 1.0562289669987248
Energy: 1.0752278928304302
Energy: 1.0157069997597856
Energy: 1.2128126388607177
Energy: 1.0157069997595856
Energy: 1.0851552561307625
Energy: 1.0579920420454358
Energy: 1.1703260028243712
Energy: 1.057992042045236
Energy: 1.22534044136133
Energy: 1.0139994121046365
Energy: 1.134863145378406
Energy: 1.0139994121042588
Energy: 1.070236766453593
Energy: 1.016276616765013
Energy: 1.136622029990245
Energy: 1.016276616765013
Energy: 1.1391614761208932
Energy: 1.0312076846927483
Energy: 1.2128010771663067
Energy: 1.0312076846923703
Energy: 1.106516564038754
Energy: 1.0387489188045684
Energy: 1.1668776434431747
Energy: 1.0387489188041688
Energy: 1.2255762247847517
Energy: 1.013992096947108
Energy: 1.1349302274529685
Energy: 1.013992096947286
Energy: 1.1474126442804269
Energy: 1.0161344067183122
Energy: 1.136241636359869
Energy: 1.0161344067188898
Energy: 1.075370758866621
Energy: 1.015700789831698
Energy: 1.2130595509959172
Energy: 1.015700789831898
Energy: 1.0754175342773618
Energy: 1.0575133670590553
Energy: 1.2145299304213595
Energy: 1.0575133670588555

minimum gb energy = 1.0137859392917772 eV
minimum distance =  2.2966242938365 Angstroms
sigma value = 25


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

Energy: 1.1192753180482324
Energy: 0.9441349595643168
Energy: 1.2615253474356543
Energy: 0.9441349595643168
Energy: 0.9950851380116056
Energy: 0.9717709585400625
Energy: 1.0348390037220003
Energy: 0.9717709585400625
Energy: 1.0911354735891907
Energy: 0.9282590258839553
Energy: 1.0921350317785692
Energy: 0.9282590258839553
Energy: 1.0408555435739273
Energy: 0.9798690938032055
Energy: 1.0347567492883978
Energy: 0.9798690938032055
Energy: 1.045220264079545
Energy: 0.921352617475405
Energy: 1.0799441020908682
Energy: 0.921352617475405
Energy: 1.0411115890808316
Energy: 0.9406844798976545
Energy: 1.0681208813221463
Energy: 0.9406844798991807
Energy: 1.0203620628561016
Energy: 0.9211869470823486
Energy: 1.0455305067699527
Energy: 0.9211869470823486
Energy: 1.0451341517341972
Energy: 0.9443153766857484
Energy: 1.082241555494453
Energy: 0.9443153766857484
Energy: 1.0153532503335132
Energy: 0.9215828099013231
Energy: 1.0369274569742368
Energy: 0.9215828099013231
Energy: 1.063370005127782
Energy: 0.9962644343921255
Energy: 1.0465373363004449
Energy: 0.9962644343921255
Energy: 1.0074514172631004
Energy: 0.92101873931637
Energy: 1.0446575236117586
Energy: 0.92101873931637
Energy: 1.042192323259939
Energy: 0.9442922615987855
Energy: 1.0677795669638368
Energy: 0.9442922615987855
Energy: 1.0231806817830578
Energy: 0.9216713849162761
Energy: 1.018716385315607
Energy: 0.9216713849178025
Energy: 1.1159484610312909
Energy: 0.9437653244379735
Energy: 1.009084682979959
Energy: 0.943765324436447
Energy: 0.9927570885697954
Energy: 0.9211490695523679
Energy: 1.0823070610348207
Energy: 0.9211490695523679
Energy: 1.0169611309733588
Energy: 0.9212531196194571
Energy: 1.0336531259510886
Energy: 0.9212531196209836
Energy: 1.0875916460834743
Energy: 0.9283601874088439
Energy: 1.0088345119779676
Energy: 0.9283601874088439
Energy: 0.999864800550584
Energy: 0.9540304551983994
Energy: 1.009430170033374
Energy: 0.9540304551983994
Energy: 1.0294295512856078
Energy: 0.9425111222170511
Energy: 1.0840093326792581
Energy: 0.9425111222170511
Energy: 1.038646392475521
Energy: 0.9432130638257017
Energy: 1.033423304530762
Energy: 0.9432130638257017
Energy: 1.0873758102296538
Energy: 0.9285397179764023
Energy: 1.0089522435203389
Energy: 0.9285397179764023
Energy: 1.0577495541985613
Energy: 0.938248414264805
Energy: 1.0094403935459095
Energy: 0.938248414264805
Energy: 0.9926640551031766
Energy: 0.921313801581926
Energy: 1.079449672253506
Energy: 0.921313801581926
Energy: 1.040385280910956
Energy: 0.920890001755388
Energy: 1.0586033986806427
Energy: 0.9208900017538617
Energy: 1.0242669092107328
Energy: 0.9216400608971199
Energy: 1.019067341748445
Energy: 0.9216400608971199
Energy: 1.0925482413648195
Energy: 0.9434393625972971
Energy: 1.0093316978886018
Energy: 0.9434393625988234

minimum gb energy = 0.9208900017538617 eV
minimum distance =  2.30606767261124 Angstroms
sigma value = 41


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

Energy: 1.0408472668021964
Energy: 0.8764701268433205
Energy: 1.1385551830804739
Energy: 0.8764701268421261
Energy: 0.929607245202123
Energy: 0.8893268641785609
Energy: 0.9793112703166525
Energy: 0.8893268641798121
Energy: 0.9907959062922723
Energy: 0.8575672500560957
Energy: 0.9982044065946543
Energy: 0.8575672500548444
Energy: 0.9809024819651797
Energy: 0.9243666621528874
Energy: 0.9792857716336737
Energy: 0.924366662151636
Energy: 0.9887461177553054
Energy: 0.8479039912717785
Energy: 0.9822423217186996
Energy: 0.8479039912717785
Energy: 0.9808442352454797
Energy: 0.8656001047694478
Energy: 0.9637356299693244
Energy: 0.8656001047694478
Energy: 0.99470848123749
Energy: 0.8444722044186367
Energy: 0.9853089603149776
Energy: 0.8444722044186367
Energy: 0.9806654260912026
Energy: 0.8701295308809192
Energy: 0.9635415788941525
Energy: 0.8701295308809192
Energy: 0.9876428980036839
Energy: 0.8445241176829474
Energy: 0.9593772988823717
Energy: 0.8445241176816961
Energy: 0.9805836934655571
Energy: 0.9013761213742076
Energy: 0.9777040743462727
Energy: 0.9013761213729564
Energy: 0.9744910317481431
Energy: 0.8446666525748209
Energy: 0.9627478849461196
Energy: 0.8446666525748209
Energy: 0.9687398411503961
Energy: 0.8881832252752654
Energy: 0.9776982704861271
Energy: 0.8881832252752654
Energy: 0.9813342291735381
Energy: 0.8446217994600929
Energy: 0.9558290794716445
Energy: 0.8446217994613441
Energy: 0.9804689201340608
Energy: 0.8581760297156018
Energy: 0.9670535038321301
Energy: 0.8581760297156018
Energy: 0.9306706699415203
Energy: 0.8445542604711892
Energy: 0.9633380626010319
Energy: 0.8445542604711892
Energy: 0.930627354947392
Energy: 0.8580525001152883
Energy: 0.9947421190985588
Energy: 0.8580525001140371
Energy: 0.998598712620801
Energy: 0.8443509417406917
Energy: 0.9233262423280473
Energy: 0.844350941741943
Energy: 0.9772399217086611
Energy: 0.8442536053490161
Energy: 0.9413395798230216
Energy: 0.8442536053502674
Energy: 0.9312685286441311
Energy: 0.8471816297247077
Energy: 0.9838695701019121
Energy: 0.8471816297259591
Energy: 0.934436473763135
Energy: 0.913452064672897
Energy: 0.9369040380474227
Energy: 0.913452064672897
Energy: 0.9881258749553719
Energy: 0.8563400505061561
Energy: 0.9407933340020739
Energy: 0.8563400505049049
Energy: 0.9318372469430849
Energy: 0.8765844753950653
Energy: 0.9756564226981973
Energy: 0.8765844753950653
Energy: 0.9661763610554829
Energy: 0.8754098279524856
Energy: 0.9863692457500137
Energy: 0.8754098279512341
Energy: 0.9909688771427301
Energy: 0.878876192479663
Energy: 0.9624922664805813
Energy: 0.878876192479663
Energy: 0.9877551937087006
Energy: 0.8563367934346744
Energy: 0.9408658822450482
Energy: 0.8563367934334231
Energy: 0.9773657776793082
Energy: 0.8575715605631574
Energy: 0.9755175798897111
Energy: 0.8575715605631574
Energy: 0.9313166772290598
Energy: 0.8473327652607577
Energy: 0.9863692711606453
Energy: 0.8473327652595064
Energy: 0.9654012922888869
Energy: 0.8553443083125097
Energy: 0.9947447940999624
Energy: 0.8553443083125097
Energy: 0.9935614250148187
Energy: 0.8442611650964735
Energy: 0.92347201797382
Energy: 0.8442611650964735
Energy: 0.9808053636645374
Energy: 0.8439508891938227
Energy: 0.9668396124264592
Energy: 0.8439508891938227
Energy: 0.9309697978585291
Energy: 0.8444032142314521
Energy: 0.9584237598445638
Energy: 0.8444032142327035
Energy: 0.9306746896530866
Energy: 0.8577026173780301
Energy: 1.002271146043369
Energy: 0.8577026173780301

minimum gb energy = 0.8439508891938227 eV
minimum distance =  2.31355145704139 Angstroms
sigma value = 15


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

Energy: 0.9682609971595338
Energy: 0.8145055080166237
Energy: 1.043276672372736
Energy: 0.8145055080176837
Energy: 0.9229903934185483
Energy: 0.867238225324434
Energy: 0.9142862224494475
Energy: 0.867238225324434
Energy: 0.9136202329119628
Energy: 0.8045087668896634
Energy: 0.9430524526810574
Energy: 0.8045087668896634
Energy: 0.9106802038647887
Energy: 0.8165900044974724
Energy: 0.9143307129277427
Energy: 0.8165900044974724
Energy: 0.9296860260149712
Energy: 0.7928892425563653
Energy: 0.9073143435901738
Energy: 0.7928892425563653
Energy: 0.9104797505395655
Energy: 0.8520742109107627
Energy: 0.9121533648376078
Energy: 0.8520742109118228
Energy: 0.9176368319711459
Energy: 0.7828240067137071
Energy: 0.9397182577591956
Energy: 0.7828240067137071
Energy: 0.902999266987217
Energy: 0.8525532106289343
Energy: 0.9122599797177747
Energy: 0.8525532106299946
Energy: 0.9323215092565245
Energy: 0.7816881275830626
Energy: 0.8944988920368727
Energy: 0.7816881275830626
Energy: 0.902848921678513
Energy: 0.7983978120217691
Energy: 0.9144607812186192
Energy: 0.798397812019649
Energy: 0.9062205533170041
Energy: 0.781789371944615
Energy: 0.9110872983822182
Energy: 0.781789371946735
Energy: 0.9125620822116499
Energy: 0.8181490574442306
Energy: 0.9139992325605819
Energy: 0.8181490574452907
Energy: 0.9131946801846603
Energy: 0.7818806136746066
Energy: 0.894001560194529
Energy: 0.7818806136724864
Energy: 0.9127587206812282
Energy: 0.8096913666527173
Energy: 0.9073173833677878
Energy: 0.8096913666537774
Energy: 0.9078462584781961
Energy: 0.7819345907600113
Energy: 0.8975880700040477
Energy: 0.7819345907600113
Energy: 0.9120836282016263
Energy: 0.8096865183930899
Energy: 0.9140448367620825
Energy: 0.8096865183930899
Energy: 0.9099695202442539
Energy: 0.7818055079479934
Energy: 0.9058474084579591
Energy: 0.7818055079458732
Energy: 0.919770519806426
Energy: 0.790557270209927
Energy: 0.8767384827347504
Energy: 0.790557270209927
Energy: 0.8713718827129501
Energy: 0.7816501885101633
Energy: 0.8981808527744164
Energy: 0.7816501885091032
Energy: 0.9053441120406245
Energy: 0.7981014932264091
Energy: 0.907974986818742
Energy: 0.7981014932253491
Energy: 0.9214289303842105
Energy: 0.7832345133535717
Energy: 0.8788530791541801
Energy: 0.7832345133525117
Energy: 0.9218165727475468
Energy: 0.8451238981115919
Energy: 0.9038211928543003
Energy: 0.845123898112652
Energy: 0.8799989069332712
Energy: 0.7927648772137748
Energy: 0.9085996155607956
Energy: 0.7927648772137748
Energy: 0.9136556039801285
Energy: 0.8574218130810605
Energy: 0.9202506457547481
Energy: 0.8574218130800004
Energy: 0.911622387651438
Energy: 0.8013320626571356
Energy: 0.8942389383140326
Energy: 0.8013320626581957
Energy: 0.8788146305311779
Energy: 0.8199456202924168
Energy: 0.9220102832707752
Energy: 0.8199456202902967
Energy: 0.9048953009194729
Energy: 0.8141199137516211
Energy: 0.9103792123375084
Energy: 0.814119913750561
Energy: 0.9230648094441388
Energy: 0.8258027003150383
Energy: 0.9204334606340793
Energy: 0.8258027003171584
Energy: 0.9180626619386696
Energy: 0.8013133953856627
Energy: 0.8942538265839608
Energy: 0.8013133953856627
Energy: 0.9223227085111434
Energy: 0.8035479268228564
Energy: 0.9219756499173669
Energy: 0.8035479268228564
Energy: 0.879976745846943
Energy: 0.7928619830703523
Energy: 0.9100119812321305
Energy: 0.7928619830692922
Energy: 0.9135689407028503
Energy: 0.8033070118148824
Energy: 0.9083610750328591
Energy: 0.8033070118127624
Energy: 0.9171198811630654
Energy: 0.7831783422344181
Energy: 0.8770199383122822
Energy: 0.7831783422344181
Energy: 0.9199749135526065
Energy: 0.7882748230215602
Energy: 0.9044694394290664
Energy: 0.7882748230236801
Energy: 0.8710770244717201
Energy: 0.7818836785147767
Energy: 0.9250713424246466
Energy: 0.7818836785137165
Energy: 0.9062491807972929
Energy: 0.7975987374715316
Energy: 0.9145718851834057
Energy: 0.7975987374725917
Energy: 0.9024046139412771
Energy: 0.7820626772881829
Energy: 0.9061771027881595
Energy: 0.7820626772881829

minimum gb energy = 0.7816501885091032 eV
minimum distance =  2.31690173790982 Angstroms
sigma value = 85


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

Energy: 0.9512535038402229
Energy: 0.758592036199872
Energy: 0.920740242253108
Energy: 0.7585920362007914
Energy: 0.8296799527279213
Energy: 0.760881804995491
Energy: 0.8352740510521015
Energy: 0.760881804995491
Energy: 0.8283958965852072
Energy: 0.7569350918630057
Energy: 0.9149298711341931
Energy: 0.7569350918620864
Energy: 0.8222679235287019
Energy: 0.7582315789610856
Energy: 0.835150848931157
Energy: 0.7582315789610856
Energy: 0.8974412523866622
Energy: 0.7241102743785097
Energy: 0.8284643030324648
Energy: 0.7241102743775903
Energy: 0.8223390004729212
Energy: 0.6707291077498692
Energy: 0.8296130018346737
Energy: 0.6707291077498692
Energy: 0.8416964004617334
Energy: 0.7256105288333753
Energy: 0.8770774154602573
Energy: 0.725610528832456
Energy: 0.8324362888761494
Energy: 0.7693020680240487
Energy: 0.8295229134493353
Energy: 0.7693020680240487
Energy: 0.881672945872475
Energy: 0.7078396704422201
Energy: 0.8570628537694471
Energy: 0.7078396704422201
Energy: 0.8325476393954179
Energy: 0.7817406180176886
Energy: 0.8361468827547491
Energy: 0.7817406180176886
Energy: 0.817564640017576
Energy: 0.7078419432005519
Energy: 0.8687618451549658
Energy: 0.7078419432005519
Energy: 0.8525352420989044
Energy: 0.7214593826180811
Energy: 0.8356216826545088
Energy: 0.7214593826180811
Energy: 0.8411004592032748
Energy: 0.7080952428019152
Energy: 0.8346793565397371
Energy: 0.7080952428009957
Energy: 0.8522902727733267
Energy: 0.7528179500779789
Energy: 0.8511671516345605
Energy: 0.7528179500779789
Energy: 0.8140232297006885
Energy: 0.7080431313675383
Energy: 0.8451395236163547
Energy: 0.7080431313684578
Energy: 0.8463057391955477
Energy: 0.7520148130380906
Energy: 0.850864366203847
Energy: 0.7520148130380906
Energy: 0.8178024705552986
Energy: 0.7078953651551788
Energy: 0.8343459280059683
Energy: 0.7078953651560981
Energy: 0.8520670889726234
Energy: 0.7517422990786795
Energy: 0.8507902067229538
Energy: 0.7517422990786795
Energy: 0.8298297543176388
Energy: 0.7079207585301635
Energy: 0.8400516467121217
Energy: 0.7079207585301635
Energy: 0.8175969517775583
Energy: 0.7208686942394417
Energy: 0.8497325576095917
Energy: 0.7208686942394417
Energy: 0.8166197781832819
Energy: 0.7079055055287656
Energy: 0.8072170547878544
Energy: 0.7079055055296849
Energy: 0.8329401957792739
Energy: 0.7226664057035941
Energy: 0.8363565531260876
Energy: 0.7226664057026747
Energy: 0.8124283326736441
Energy: 0.7073631714910926
Energy: 0.8547740745881618
Energy: 0.7073631714910926
Energy: 0.8326058744515796
Energy: 0.7685330535345526
Energy: 0.8251633314796518
Energy: 0.7685330535345526
Energy: 0.8445201795540873
Energy: 0.7248272970476672
Energy: 0.8113011858334698
Energy: 0.7248272970476672
Energy: 0.8223664450230806
Energy: 0.7611335292293415
Energy: 0.8297044154971495
Energy: 0.7611335292275028
Energy: 0.8309276444636404
Energy: 0.7240729857753396
Energy: 0.8291528137588094
Energy: 0.7240729857753396
Energy: 0.841771526273571
Energy: 0.7644368822304188
Energy: 0.816205013623741
Energy: 0.7644368822294995
Energy: 0.8268920568860773
Energy: 0.7568057333649876
Energy: 0.8294098550372477
Energy: 0.7568057333649876
Energy: 0.8122965867660421
Energy: 0.760580761296378
Energy: 0.8353004534235132
Energy: 0.760580761296378
Energy: 0.8642920769753176
Energy: 0.7585189085546704
Energy: 0.8308121923766469
Energy: 0.7585189085537511
Energy: 0.8626132972971768
Energy: 0.7265077747595428
Energy: 0.8158192015622175
Energy: 0.7265077747595428
Energy: 0.8268071268989972
Energy: 0.7568438030092272
Energy: 0.8296086610824381
Energy: 0.7568438030092272
Energy: 0.8221534170319832
Energy: 0.7074277523308016
Energy: 0.8352576932181096
Energy: 0.7074277523298823
Energy: 0.8309296308896958
Energy: 0.7241066053182559
Energy: 0.8305224914080779
Energy: 0.7241066053173365
Energy: 0.84162768085064
Energy: 0.7076623411023396
Energy: 0.8252447627761077
Energy: 0.7076623411023396
Energy: 0.8417429373154219
Energy: 0.7247367763334897
Energy: 0.8111616827740762
Energy: 0.7247367763325703
Energy: 0.8331455616727284
Energy: 0.7072153395466263
Energy: 0.829703416550642
Energy: 0.7072153395457068
Energy: 0.8124986533955317
Energy: 0.707507075745849
Energy: 0.8545873905069735
Energy: 0.707507075745849
Energy: 0.8351783493616727
Energy: 0.7070518020716416
Energy: 0.8498981574023149
Energy: 0.7070518020716416
Energy: 0.8148776580060612
Energy: 0.7073789425506176
Energy: 0.807172388619062
Energy: 0.7073789425506176
Energy: 0.8525158556821535
Energy: 0.7226508902118133
Energy: 0.8359977442155884
Energy: 0.7226508902118133
Energy: 0.8296814480845605
Energy: 0.7065794786028317
Energy: 0.8369425880814656
Energy: 0.7065794786028317

minimum gb energy = 0.6707291077498692 eV
minimum distance =  2.32513768848019 Angstroms
sigma value = 113


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

Energy: 0.014950600426419646
Energy: 0.01516968436660917
Energy: 1.47522757253753
Energy: 0.01516968436660917
Energy: 0.015606369593003745
Energy: 0.681103314415682
Energy: 0.015606369593003745
Energy: 0.681103314415682
Energy: 1.331929150173093
Energy: 0.01516968436660917
Energy: 0.014950600426419646
Energy: 0.01516968436660917
Energy: 0.015606369593003745
Energy: 0.681103314415682
Energy: 0.015606369592336236
Energy: 0.681103314415682
Energy: 0.014950600426419646
Energy: 0.01516968436660917
Energy: 1.47522757253753
Energy: 0.01516968436660917
Energy: 0.015606369593003745
Energy: 0.681103314415682
Energy: 0.015606369592336236
Energy: 0.681103314415682

minimum gb energy = 0.014950600426419646 eV
minimum distance =  2.4580280620345 Angstroms
sigma value = 1