Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
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=3.302443556487561
cohesive_energy=7.470587473106058
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=[2.7920170894737597e-19, 3.95205705955512e-19, 5.75945649860418e-19, 6.653711386871279e-19, 7.40809625499018e-19, 8.05587228988272e-19, 8.618364462547439e-19, 9.110248710951778e-19, 9.542259618543539e-19, 9.9225202208571e-19, 1.0257343093830418e-18, 1.055183918092596e-18, 1.08101260760931e-18, 1.1035680502627618e-18, 1.1231370356704378e-18, 1.1399662990339738e-18, 1.1542721341989598e-18, 1.166238791478306e-18, 1.1760280907120459e-18, 1.183782625620606e-18, 1.1896321725113398e-18, 1.193688883748628e-18, 1.1960569008136799e-18, 1.1968259455979998e-18, 1.195999222454856e-18, 1.193331598359246e-18, 1.1885154553974418e-18, 1.1811502494109439e-18, 1.170779360059062e-18, 1.15686766034604e-18, 1.138767870911742e-18, 1.115693323028874e-18, 1.0866971303067419e-18, 1.0506145103324278e-18, 1.00602273025494e-18, 9.511577936002438e-19, 8.838247183797599e-19, 8.012613520764719e-19, 6.999637343918219e-19, 5.754409642207079e-19, 4.2187073167517397e-19, 2.31601041151236e-19, -5.556717067337819e-21, -3.03400984827312e-19, -6.80945897746242e-19, -1.16497467411408e-18, -1.7941173947532e-18, -2.6257111548645598e-18, -3.74768340812208e-18, -5.300513001794879e-18, -7.519912162277039e-18, -1.0826692582488659e-17, -1.60349041883988e-17, -2.48999077219842e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01726303342123434
Energy: 1.510004834708673
Energy: 2.7224675533395293
Energy: 0.017593262158205242
Energy: 1.5100048347108441
Energy: 0.28401552264493723
Energy: 1.508891259845478
Energy: 0.28401552264493723
Energy: 2.7224675533608234
Energy: 1.5088912598314905
Energy: 1.9372025739966174
Energy: 1.508891259827858
Energy: 0.017593262158205242
Energy: 0.28401552264493723
Energy: 1.5088912598549977
Energy: 0.28401552264493723

minimum gb energy = 0.01726303342123434 eV
minimum distance =  2.81258602832726 Angstroms
sigma value = 1


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

Energy: 2.886984872701464
Energy: 1.5616072132868455
Energy: 1.5614902188891076
Energy: 1.3677784421986465
Energy: 2.5255621522723777
Energy: 1.2023405842220964
Energy: 1.2041271014034336
Energy: 1.2023405842220964
Energy: 2.5065407419690193
Energy: 1.2029399817548514
Energy: 1.2041223241303523
Energy: 1.2029399817539401
Energy: 2.5201206735353243
Energy: 1.2026823850001431
Energy: 1.202422135967685
Energy: 1.2026823850001431
Energy: 2.082455058995421
Energy: 1.211633659926558
Energy: 1.6247602320479926
Energy: 1.2116336599274697
Energy: 2.5200355454876027
Energy: 1.2023344406390426
Energy: 1.5691822239644064
Energy: 1.202334440638131
Energy: 2.519835878960586
Energy: 1.202033309607262
Energy: 1.5727213875579795
Energy: 1.2020333096063502
Energy: 2.0759265780177674
Energy: 1.2019701930450146
Energy: 1.5725626097212044
Energy: 1.201970193045926
Energy: 1.8118161453221466
Energy: 1.2043442658423866
Energy: 2.014048340620653
Energy: 1.2043442658478556
Energy: 2.0739047091739278
Energy: 1.2876567422099703
Energy: 2.0879061749517325
Energy: 1.2876567422081473
Energy: 2.0335664162321594
Energy: 1.2917397559916846
Energy: 1.9437630653879374
Energy: 1.291739755992596
Energy: 1.5735600278652713
Energy: 1.2017918985914833
Energy: 2.074653894496272
Energy: 1.2017918985905718
Energy: 1.5732120375240721
Energy: 1.2018604156945598
Energy: 2.072625666616699
Energy: 1.2018604156954713
Energy: 1.55244931866333
Energy: 1.2020203148798667
Energy: 2.5205207940973824
Energy: 1.2020203148816897
Energy: 1.5821530122473562
Energy: 1.211318509077541
Energy: 2.195654010835947
Energy: 1.2113185090766294
Energy: 1.2026587572833185
Energy: 1.2029923854519857
Energy: 2.503594015468989
Energy: 1.2029923854538085
Energy: 1.2032001918817383
Energy: 1.2027512498430362
Energy: 2.516073877606994
Energy: 1.2027512498439474
Energy: 1.2017637894875586
Energy: 1.2018959643520108
Energy: 2.526386699955725
Energy: 1.2018959643538338
Energy: 1.2023997262443016
Energy: 1.2026434891065099
Energy: 2.3502736599336784
Energy: 1.2026434891065099
Energy: 1.313537508036203
Energy: 1.202343743284965
Energy: 2.5075497743093647
Energy: 1.202343743284965
Energy: 1.3349224620136475
Energy: 1.201495922034876
Energy: 2.5192747424583777
Energy: 1.201495922034876
Energy: 1.3357954914139871
Energy: 1.2018950716003076
Energy: 2.3512137062497027
Energy: 1.2018950715984849
Energy: 1.344929025052492
Energy: 1.2018609243938676
Energy: 2.0716747606543753
Energy: 1.2018609243947789
Energy: 1.815481988884069
Energy: 1.202199492005013
Energy: 2.3652406408762157
Energy: 1.202199492005013
Energy: 1.8146990419602187
Energy: 1.2026784202605723
Energy: 2.365252741143589
Energy: 1.2026784202605723
Energy: 1.8147832969937359
Energy: 1.290676927138174
Energy: 1.8155297781690412
Energy: 1.290676927138174
Energy: 1.815777980263853
Energy: 1.4171741062236776
Energy: 1.8145455825145738
Energy: 1.4171741062236776
Energy: 2.351780053562455
Energy: 1.2020296950135634
Energy: 1.8281144332665533
Energy: 1.202029695012652
Energy: 2.196637458121341
Energy: 1.2018838674984167
Energy: 1.827869245397443
Energy: 1.2018838674975052
Energy: 2.1958211588588132
Energy: 1.2020691575362172
Energy: 1.3345964291885861
Energy: 1.2020691575362172
Energy: 2.3519210996354154
Energy: 1.2018507716235476
Energy: 1.3359216554389661
Energy: 1.2018507716244593
Energy: 2.5190222051082234
Energy: 1.27034754219108
Energy: 1.3556114291707113
Energy: 1.27034754219108
Energy: 2.499906666438625
Energy: 1.2030407078949354
Energy: 1.3146841364844186
Energy: 1.203040707892201

minimum gb energy = 1.201495922034876 eV
minimum distance =  2.70163711917462 Angstroms
sigma value = 1


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

Energy: 3.2506108175683472
Energy: 1.2455595054320108
Energy: 1.2466215192816719
Energy: 1.4805162711790558
Energy: 2.4108107969391175
Energy: 1.2454428040387548
Energy: 1.2456109965135498
Energy: 1.2454428040377157
Energy: 2.4096173026604824
Energy: 1.2453211496446701
Energy: 1.2445506002935038
Energy: 1.2453211496446701
Energy: 2.410737352960937
Energy: 1.2455789598273295
Energy: 1.2461804927314195
Energy: 1.2455789598273295
Energy: 2.0870866170157956
Energy: 1.2459093449752499
Energy: 1.551973515606094
Energy: 1.2459093449752499
Energy: 2.4113903290741714
Energy: 1.2454378887915132
Energy: 1.5529532795468552
Energy: 1.2454378887925524
Energy: 2.410933853159465
Energy: 1.2454304515384162
Energy: 1.5312040037853214
Energy: 1.245430451537377
Energy: 2.085284171222441
Energy: 1.2478911894412343
Energy: 1.5294976827696576
Energy: 1.247891189440195
Energy: 2.0854285611241186
Energy: 1.3516413078222134
Energy: 1.9134410483679432
Energy: 1.351641307821174
Energy: 2.123538684953555
Energy: 1.3506530212791874
Energy: 2.0843179141594166
Energy: 1.3506530212791874
Energy: 2.124900315001851
Energy: 1.3528801605907772
Energy: 1.7768782627023407
Energy: 1.3528801605907772
Energy: 1.5294787691074463
Energy: 1.2475281442252084
Energy: 1.7788917073665511
Energy: 1.2475281442252084
Energy: 1.5302158066525493
Energy: 1.2455174451704547
Energy: 2.0848467445676926
Energy: 1.2455174451683761
Energy: 1.511520244264195
Energy: 1.2455648763254636
Energy: 2.411047359263837
Energy: 1.2455648763254636
Energy: 1.5104110107674371
Energy: 1.2457938864752807
Energy: 2.3799757503360794
Energy: 1.2457938864752807
Energy: 1.2454100901740333
Energy: 1.2464661466397475
Energy: 2.3799949787323342
Energy: 1.2464661466397475
Energy: 1.2452262014375226
Energy: 1.2452576894377114
Energy: 2.4119735131156856
Energy: 1.2452576894366723
Energy: 1.2454710489835268
Energy: 1.2467786047173446
Energy: 2.411394032716281
Energy: 1.2467786047173446
Energy: 1.245408319342364
Energy: 1.2457971359119042
Energy: 2.087155727693645
Energy: 1.2457971359129434
Energy: 1.5527777535571603
Energy: 1.2452695472355573
Energy: 2.4106932789894504
Energy: 1.2452695472365967
Energy: 1.5292577661908136
Energy: 1.245708717169249
Energy: 2.4099583190851956
Energy: 1.2457087171682095
Energy: 1.529481819161844
Energy: 1.2479577022122754
Energy: 2.1231617868146846
Energy: 1.247957702211236
Energy: 1.5702730640936533
Energy: 1.351208828824774
Energy: 2.085612426315519
Energy: 1.351208828824774
Energy: 2.0851903944911223
Energy: 1.3509019139282477
Energy: 2.1244764345501443
Energy: 1.3509019139282477
Energy: 1.776681889547148
Energy: 1.3534731325417333
Energy: 2.1238121643573162
Energy: 1.3534731325417333
Energy: 1.7764987202042548
Energy: 1.2459482763095888
Energy: 1.600873489851896
Energy: 1.2459482763106282
Energy: 2.085341026239586
Energy: 1.2457177754976276
Energy: 1.5297479934209863
Energy: 1.2457177754976276
Energy: 2.4107274988237957
Energy: 1.3289027308796333
Energy: 1.6011626884049233
Energy: 1.3289027308796333
Energy: 2.3804286021930485
Energy: 1.245373804777807
Energy: 1.5106416500722488
Energy: 1.2453738047788465

minimum gb energy = 1.2445506002935038 eV
minimum distance =  2.70537578449286 Angstroms
sigma value = 25


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

Energy: 3.059651842475947
Energy: 1.45122842951284
Energy: 1.3311608783942712
Energy: 1.4859653356893938
Energy: 2.271079883924828
Energy: 1.3651911367991576
Energy: 1.4073607647636663
Energy: 1.3651911367991576
Energy: 2.2650100683377903
Energy: 1.3285107585367548
Energy: 1.3289803180457718
Energy: 1.3285107585367548
Energy: 2.264071614356966
Energy: 1.354326172331861
Energy: 1.3543272161598139
Energy: 1.354326172330653
Energy: 2.1065716598049096
Energy: 1.3642564959676196
Energy: 1.7472818123689269
Energy: 1.3642564959664116
Energy: 2.263754826596052
Energy: 1.3535325500939017
Energy: 1.770885727997444
Energy: 1.3535325500939017
Energy: 2.2642423014791637
Energy: 1.4432960682049638
Energy: 1.8178879430131432
Energy: 1.4432960682049638
Energy: 1.8175432270676573
Energy: 1.443312305236131
Energy: 1.8123706627493061
Energy: 1.443312305236131
Energy: 1.8190362308661052
Energy: 1.4436895884001855
Energy: 1.9923891712344126
Energy: 1.4436895884001855
Energy: 1.8408443084389718
Energy: 1.3536189000418535
Energy: 2.26378402935443
Energy: 1.3536189000406453
Energy: 1.7918391488262653
Energy: 1.364190198442573
Energy: 2.2622701663972298
Energy: 1.364190198442573
Energy: 1.329391358661189
Energy: 1.3313733781237884
Energy: 2.2613574950376507
Energy: 1.3313733781249966
Energy: 1.3279962953512032
Energy: 1.3285605487551806
Energy: 2.264675887317825
Energy: 1.3285605487539727
Energy: 1.4066551356149446
Energy: 1.4561865978710207
Energy: 2.271251614307392
Energy: 1.4561865978710207
Energy: 1.3542065263856466
Energy: 1.3546018403715963
Energy: 2.104392853530117
Energy: 1.3546018403728044
Energy: 1.491275851746969
Energy: 1.3304726033662597
Energy: 2.2608658039648337
Energy: 1.3304726033662597
Energy: 1.5101803710300374
Energy: 1.3286231540514846
Energy: 2.271626614364299
Energy: 1.3286231540514846
Energy: 1.5107829698853215
Energy: 1.3290674351184228
Energy: 2.1002419156599648
Energy: 1.3290674351172147
Energy: 1.5591658708720892
Energy: 1.3289669371778237
Energy: 1.8154976517454895
Energy: 1.3289669371778237
Energy: 2.101079279010424
Energy: 1.447751102727169
Energy: 2.10141974730632
Energy: 1.4477511027259609
Energy: 1.9459886223301917
Energy: 1.4472183399694387
Energy: 2.101010168323451
Energy: 1.4472183399682308
Energy: 1.9454449303644707
Energy: 1.328800890437256
Energy: 1.554964245922605
Energy: 1.328800890437256
Energy: 2.1006549065033893
Energy: 1.3287900878421515
Energy: 1.5099378056492991
Energy: 1.3287900878421515
Energy: 2.2714334050820697
Energy: 1.3291287608740974
Energy: 1.5817457266223338
Energy: 1.3291287608740974
Energy: 2.258473250000918
Energy: 1.3298711986140799
Energy: 1.4668483170700441
Energy: 1.3298711986140799

minimum gb energy = 1.3279962953512032 eV
minimum distance =  2.68869272383197 Angstroms
sigma value = 9


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

Energy: 3.1606668904858424
Energy: 1.488022011199676
Energy: 1.5250106833195847
Energy: 1.5919873942321214
Energy: 2.35512983677874
Energy: 1.5796826301835447
Energy: 1.580025030828142
Energy: 1.5796826301835447
Energy: 2.2694406956361917
Energy: 1.4872992995771948
Energy: 1.487010388573197
Energy: 1.4872992995771948
Energy: 2.269452758456292
Energy: 1.4878393627948174
Energy: 1.488546676065642
Energy: 1.4878393627948174
Energy: 1.9839669063243157
Energy: 1.4877740274933315
Energy: 1.6119043152858261
Energy: 1.4877740274933315
Energy: 2.1203332509234842
Energy: 1.5767943853964763
Energy: 1.7439657607225483
Energy: 1.5767943853979176
Energy: 2.120564978582161
Energy: 1.46483911703364
Energy: 1.625840715347626
Energy: 1.46483911703364
Energy: 1.8924255409797222
Energy: 1.4645273500957703
Energy: 1.6674031815604888
Energy: 1.4645273500972116
Energy: 1.8927150140228985
Energy: 1.4661926283227167
Energy: 2.0021787440449517
Energy: 1.4661926283227167
Energy: 1.8922397677273544
Energy: 1.3443032223268199
Energy: 2.066036131864012
Energy: 1.3443032223253788
Energy: 1.892799379635066
Energy: 1.3453290601805168
Energy: 2.064270831290268
Energy: 1.3453290601805168
Energy: 1.5311225709317424
Energy: 1.3449362077028424
Energy: 2.0653736271791816
Energy: 1.3449362077028424
Energy: 1.5313992004568513
Energy: 1.3445667606914729
Energy: 2.066390768738897
Energy: 1.3445667606914729
Energy: 1.6830825136637435
Energy: 1.4836354732092896
Energy: 2.001470421721081
Energy: 1.4836354732092896
Energy: 1.5313487947626605
Energy: 1.3447680552869021
Energy: 1.9839454236064082
Energy: 1.3447680552869021
Energy: 1.7492447610854551
Energy: 1.3442626174813712
Energy: 2.001475519633447
Energy: 1.3442626174799301
Energy: 1.6253829614288287
Energy: 1.4530706726257463
Energy: 2.00217043651101
Energy: 1.4530706726257463
Energy: 1.6257594820391807
Energy: 1.4530126634331992
Energy: 1.9060214446151218
Energy: 1.4530126634331992
Energy: 1.8756361571176792
Energy: 1.6395687093795879
Energy: 1.8828275448578227
Energy: 1.6395687093795879
Energy: 2.3546333802151107
Energy: 1.737492832734569
Energy: 1.9063722880426188
Energy: 1.73749283273601
Energy: 2.109734847266852
Energy: 1.4878787635517439
Energy: 1.8344196265454713
Energy: 1.4878787635503024

minimum gb energy = 1.3442626174799301 eV
minimum distance =  2.65089218153789 Angstroms
sigma value = 25


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

Energy: 2.362533355605865
Energy: 1.5012635679870492
Energy: 1.5018756555748864
Energy: 1.531908510648008
Energy: 1.9199142882478026
Energy: 1.6536483430489737
Energy: 1.6534610377971006
Energy: 1.6536483430471913
Energy: 1.9386124898152723
Energy: 1.5001620902447663
Energy: 1.5005411823723012
Energy: 1.5001620902447663
Energy: 1.91931122691392
Energy: 1.525504155066978
Energy: 1.529593928139705
Energy: 1.525504155066978
Energy: 1.7575716638739318
Energy: 1.551564851959952
Energy: 1.856996683842134
Energy: 1.5515648519581697
Energy: 1.9786705514739569
Energy: 1.5994706543103188
Energy: 1.9370019738343414
Energy: 1.5994706543121007
Energy: 1.9764918504380673
Energy: 1.5525050510131937
Energy: 1.9397471826410895
Energy: 1.5525050510131937
Energy: 1.5251434366679282
Energy: 1.5252984140404928
Energy: 1.9422631198260163
Energy: 1.5252984140404928
Energy: 1.5002998535193883
Energy: 1.5002752877409677
Energy: 1.9192299732802636
Energy: 1.5002752877409677
Energy: 1.6539403609822312
Energy: 1.545518742406404
Energy: 1.9207401302508986
Energy: 1.545518742406404
Energy: 1.5243051488128707
Energy: 1.5017154995039712
Energy: 1.9133540285293338
Energy: 1.5017154995039712
Energy: 1.9388824122686688
Energy: 1.6539960191423846
Energy: 1.9134434001062077
Energy: 1.6539960191423846
Energy: 1.7588696881638166
Energy: 1.5008247687504523
Energy: 1.9188641094755545
Energy: 1.50082476874867
Energy: 1.7618283944658946
Energy: 1.5009158250766792
Energy: 1.8152356520857824
Energy: 1.5009158250766792
Energy: 1.8892402341689123
Energy: 1.500180964124295
Energy: 1.7632165162867492
Energy: 1.500180964124295
Energy: 1.9201104376646567
Energy: 1.5006478667671879
Energy: 1.8554024214308524
Energy: 1.5006478667671879
Energy: 1.8485884487927744
Energy: 1.5008982450281778
Energy: 1.6988604166529093
Energy: 1.5008982450263955

minimum gb energy = 1.5001620902447663 eV
minimum distance =  2.65021917652202 Angstroms
sigma value = 17


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

Energy: 2.182660820201187
Energy: 1.5891744445989175
Energy: 1.585801079121404
Energy: 1.5735469228919468
Energy: 1.8463220754541405
Energy: 1.776480472696211
Energy: 1.7769729024401388
Energy: 1.776480472696211
Energy: 1.8680799346115717
Energy: 1.5869580776811707
Energy: 1.6202593135250958
Energy: 1.586958077680161
Energy: 1.8486777334377962
Energy: 1.5935229191209355
Energy: 1.630303816576004
Energy: 1.593522919119926
Energy: 1.8462633336587553
Energy: 1.6349446723907257
Energy: 1.8517538513674514
Energy: 1.6349446723917351
Energy: 1.8682379348126388
Energy: 1.548909421331799
Energy: 1.8537648615791618
Energy: 1.548909421331799
Energy: 1.8153766072169912
Energy: 1.5490824080494003
Energy: 1.8442430777122676
Energy: 1.54908240805041
Energy: 1.639141878919314
Energy: 1.6393443083400967
Energy: 1.8897355595576237
Energy: 1.6393443083400967
Energy: 1.5711992716993957
Energy: 1.5469235899778662
Energy: 1.8679667545221466
Energy: 1.5469235899778662
Energy: 1.581682720556318
Energy: 1.5828603181181813
Energy: 1.8683269365924355
Energy: 1.5828603181171719
Energy: 1.5867471325248332
Energy: 1.558153552405131
Energy: 1.8414272025976666
Energy: 1.558153552405131
Energy: 1.8658835947213366
Energy: 1.5826026953677736
Energy: 1.8696857811840026
Energy: 1.5826026953677736
Energy: 1.8481724957424828
Energy: 1.5824815234809446
Energy: 1.8640228277187274
Energy: 1.582481523478926
Energy: 1.8479824125244195
Energy: 1.558174188562093
Energy: 1.5850753320834086
Energy: 1.5581741885631024
Energy: 1.8705656825189327
Energy: 1.5475327688606733
Energy: 1.5809907044966647
Energy: 1.547532768861683
Energy: 1.8637320264502872
Energy: 1.5479025403388034
Energy: 1.589669576880051
Energy: 1.5479025403388034
Energy: 1.8755715393367718
Energy: 1.604730768883883
Energy: 1.6274321263635225
Energy: 1.6047307688848926
Energy: 1.8754958154617
Energy: 1.6385892106611926
Energy: 1.8419829463520614
Energy: 1.6385892106601834
Energy: 1.8629460774677382
Energy: 1.6532128876394039
Energy: 1.845651676402712
Energy: 1.653212887640413
Energy: 1.701967319816519
Energy: 1.6365040716695034
Energy: 1.8217270665712897
Energy: 1.6365040716695034
Energy: 1.5933183818310197
Energy: 1.593515036975925
Energy: 1.8440923077881881
Energy: 1.5935150369769342
Energy: 1.6469120440465495
Energy: 1.5869702403546175
Energy: 1.8447992806566247
Energy: 1.586970240355627
Energy: 1.7780542822621581
Energy: 1.778603357153939
Energy: 1.8744862151626671
Energy: 1.778603357153939
Energy: 1.686144048838958
Energy: 1.5883641425261634
Energy: 1.871678830508488
Energy: 1.5883641425251538
Energy: 1.8588690836702693
Energy: 1.5882762882470822
Energy: 1.8452059266239014
Energy: 1.5882762882470822
Energy: 1.7269383185249776
Energy: 1.587224357655194
Energy: 1.846465941273371
Energy: 1.587224357655194
Energy: 1.7712475098896223
Energy: 1.634328282192052
Energy: 1.7604246815478115
Energy: 1.6343282821910425
Energy: 1.8688156233558846
Energy: 1.5873956654374
Energy: 1.7282220384790765
Energy: 1.5873956654374
Energy: 1.845939357647824
Energy: 1.615532400793976
Energy: 1.9209108452604773
Energy: 1.6155324007959946
Energy: 1.8840980218902712
Energy: 1.5884297325522094
Energy: 1.6643091961150238
Energy: 1.5884297325532186

minimum gb energy = 1.5469235899778662 eV
minimum distance =  2.63650258318079 Angstroms
sigma value = 53


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

Energy: 1.495710627231914
Energy: 1.554416602076666
Energy: 1.6355249366879387
Energy: 1.502994221465298
Energy: 1.7486740698871648
Energy: 1.557670933620455
Energy: 1.6379333882550144
Energy: 1.557670933620455
Energy: 1.7602440319513357
Energy: 1.5432038603691836
Energy: 1.6379233996691391
Energy: 1.5432038603691836
Energy: 1.7620865271831017
Energy: 1.6418395703748005
Energy: 1.7768958048543635
Energy: 1.6418395703748005
Energy: 1.7771682589812765
Energy: 1.559339054572578
Energy: 1.778834691081711
Energy: 1.5593390545702541
Energy: 1.760315346796409
Energy: 1.5596173257791608
Energy: 1.7779642358995826
Energy: 1.5596173257791608
Energy: 1.7590806197436035
Energy: 1.5525508272934339
Energy: 1.4983071301203383
Energy: 1.5525508272934339
Energy: 1.6386747177220162
Energy: 1.5590219169539261
Energy: 1.4984417230676053
Energy: 1.5590219169539261
Energy: 1.6383883408715743
Energy: 1.558731353722107
Energy: 1.7592095530129837
Energy: 1.558731353722107
Energy: 1.636178103293391
Energy: 1.5403765868353356
Energy: 1.7612568746608501
Energy: 1.5403765868353356
Energy: 1.6373856667457976
Energy: 1.5546105691498686
Energy: 1.7743409988499292
Energy: 1.554610569147545
Energy: 1.7774807452349088
Energy: 1.6418644391045722
Energy: 1.7606647043943384
Energy: 1.6418644391045722
Energy: 1.4983964597718886
Energy: 1.5499300924340464
Energy: 1.7594371906914794
Energy: 1.5499300924340464

minimum gb energy = 1.495710627231914 eV
minimum distance =  2.65592862298519 Angstroms
sigma value = 9


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

Energy: 2.2969170895777946
Energy: 1.8854497924424471
Energy: 1.8847052938398015
Energy: 1.8573025971928507
Energy: 1.980950876719754
Energy: 1.828748715100149
Energy: 1.9408316910970598
Energy: 1.8287487151010087
Energy: 1.8019170569983307
Energy: 1.7599703122664578
Energy: 1.7992003792057678
Energy: 1.7599703122664578
Energy: 1.7998529120322702
Energy: 1.7606016189529023
Energy: 1.771196488742258
Energy: 1.7606016189520424
Energy: 1.769004672517223
Energy: 1.7558727865018446
Energy: 1.8241115027795383
Energy: 1.7558727865009849
Energy: 1.920187884141229
Energy: 1.802582754304014
Energy: 1.9971671901163057
Energy: 1.802582754305734
Energy: 1.9410628682621998
Energy: 1.9423371064037616
Energy: 2.2180071695431063
Energy: 1.9423371064037616
Energy: 2.0710425864725286
Energy: 1.9404434189417352
Energy: 2.2147964511830587
Energy: 1.9404434189443156
Energy: 2.039701943466396
Energy: 1.6665054711506653
Energy: 1.9026323945339847
Energy: 1.6665054711506653
Energy: 1.8518411983466152
Energy: 1.7688434830127757
Energy: 1.6684544272845852
Energy: 1.7688434830110555
Energy: 2.021352710974075
Energy: 1.6664515549095966
Energy: 1.6655405605134734
Energy: 1.6664515549078762
Energy: 1.9751634444353867
Energy: 1.7644799725501807
Energy: 1.7858280051179216
Energy: 1.7644799725484608
Energy: 2.2188266308919533
Energy: 1.7838060932898554
Energy: 1.7830579605608536
Energy: 1.7838060932907154
Energy: 2.2180455437939948
Energy: 1.7841187392750018
Energy: 2.0586145005068217
Energy: 1.7841187392758617
Energy: 1.9839337537734774
Energy: 1.6811884561197379
Energy: 2.0624775474611563
Energy: 1.6811884561180177
Energy: 1.790451790702209
Energy: 1.6603068361041127
Energy: 2.113376055483248
Energy: 1.6603068361058329
Energy: 1.6592994486002277
Energy: 1.6597863416708543
Energy: 2.1514430012732455
Energy: 1.6597863416699945
Energy: 1.7735911979511965
Energy: 1.7481389492808943
Energy: 2.0817197165377377
Energy: 1.7481389492808943
Energy: 1.699513684658318
Energy: 1.6988681798350345
Energy: 2.2275482218658715
Energy: 1.698868179834174
Energy: 1.827956238445956
Energy: 1.7335224539854346
Energy: 2.1673305373667544
Energy: 1.7335224539837142
Energy: 2.0083048439744293
Energy: 1.7122953085140369
Energy: 2.0071357044451545
Energy: 1.7122953085114567
Energy: 2.218366151641647
Energy: 1.6987525336049585
Energy: 2.0069930324853256
Energy: 1.6987525336040983
Energy: 2.2186856369282926
Energy: 1.6991059868269995
Energy: 1.6985251000116626
Energy: 1.6991059868261396
Energy: 2.052920782495321
Energy: 1.7652755966847848
Energy: 1.698686170307003
Energy: 1.7652755966847848
Energy: 2.1769543243575926
Energy: 1.6813858743281225
Energy: 1.658287297138907
Energy: 1.6813858743272625
Energy: 1.983435428633186
Energy: 1.6602217465442086
Energy: 1.6601694071976718
Energy: 1.6602217465450684
Energy: 2.1617635170053573
Energy: 1.6597317524576016
Energy: 2.015933704420389
Energy: 1.6597317524576016
Energy: 2.0564912185607684
Energy: 1.7920983636281136
Energy: 2.202904191124317
Energy: 1.7920983636289738
Energy: 1.7826801727739152
Energy: 1.7838739037417166
Energy: 2.2144419190379656
Energy: 1.7838739037417166
Energy: 1.782879262313583
Energy: 1.822672657839102
Energy: 2.099626536551679
Energy: 1.8226726578399621
Energy: 1.667076738281117
Energy: 1.6684013224976948
Energy: 2.0275598381379467
Energy: 1.6684013224959746
Energy: 1.6675220057770883
Energy: 1.6678217947682938
Energy: 2.0098726514186076
Energy: 1.6678217947674334
Energy: 1.6660418362556975
Energy: 1.7676687036559722
Energy: 1.9852817888297716
Energy: 1.7676687036568324
Energy: 1.9100310848216
Energy: 1.8041747692754784
Energy: 2.0516733467083603
Energy: 1.8041747692754784
Energy: 2.2148859908957155
Energy: 1.9420028746247955
Energy: 1.9935972215502695
Energy: 1.9420028746264377

minimum gb energy = 1.658287297138907 eV
minimum distance =  2.69073576331629 Angstroms
sigma value = 73


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

Energy: 2.7693859018726585
Energy: 1.8957435217622682
Energy: 1.8982552847287202
Energy: 1.8509426236217044
Energy: 1.9604164780358373
Energy: 1.8007561125188982
Energy: 1.9219319627914448
Energy: 1.8007561125202627
Energy: 1.7985548915941358
Energy: 1.7535395057525578
Energy: 1.799155047862619
Energy: 1.7535395057525578
Energy: 1.7990585975875801
Energy: 1.753936609902475
Energy: 1.7953318830752656
Energy: 1.7539366099038396
Energy: 1.7930906608406927
Energy: 1.7696653466802466
Energy: 1.839348150443964
Energy: 1.7696653466802466
Energy: 1.8937501559571126
Energy: 1.8191239496751557
Energy: 1.9148190597815575
Energy: 1.8191239496765204
Energy: 1.9221141321860162
Energy: 1.9235776661714155
Energy: 2.1398989137663373
Energy: 1.9235776661714155
Energy: 2.1221949634336914
Energy: 1.9228407829078291
Energy: 2.138935457303246
Energy: 1.9228407829091936
Energy: 2.0928008979673325
Energy: 1.6523008151433012
Energy: 1.960588179609716
Energy: 1.6523008151433012
Energy: 1.9155702155924577
Energy: 1.6513766336416054
Energy: 1.6536543502055603
Energy: 1.6513766336416054
Energy: 2.083733229191869
Energy: 1.65272296997951
Energy: 1.6477428979259032
Energy: 1.65272296997951
Energy: 2.0030022682224726
Energy: 1.8142378520878764
Energy: 1.7006286804386839
Energy: 1.814237852089241
Energy: 2.105020617339698
Energy: 1.7008990215341073
Energy: 1.7007503834166682
Energy: 1.7008990215341073
Energy: 2.1041218488685165
Energy: 1.7017893909305948
Energy: 2.040154952466664
Energy: 1.7017893909292303
Energy: 2.1082810832858856
Energy: 1.7815966838972979
Energy: 2.1091565609137306
Energy: 1.7815966838972979
Energy: 2.0404137665109925
Energy: 1.7014794083734879
Energy: 2.2089650739325477
Energy: 1.7014794083734879
Energy: 1.701007444332881
Energy: 1.700620979220026
Energy: 2.2102241828987776
Energy: 1.7006209792186615
Energy: 1.6883411949433498
Energy: 1.7944592884919925
Energy: 2.0207745196830733
Energy: 1.7944592884919925
Energy: 1.649888879052531
Energy: 1.6527661619752425
Energy: 2.107634228709553
Energy: 1.6527661619738778
Energy: 1.6528055473626366
Energy: 1.6514458626501043
Energy: 2.0868468813896515
Energy: 1.6514458626501043
Energy: 1.9613266402293419
Energy: 1.6516868829326115
Energy: 2.100622134789362
Energy: 1.6516868829326115
Energy: 2.2729989906295502
Energy: 1.895321923278892
Energy: 2.1228361553468376
Energy: 1.895321923278892

minimum gb energy = 1.6477428979259032 eV
minimum distance =  2.63189516541227 Angstroms
sigma value = 7


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

Energy: 3.270965593037588
Energy: 1.884663195586413
Energy: 1.8840838463468117
Energy: 1.754684241908323
Energy: 1.957367119151186
Energy: 1.7477557747603458
Energy: 1.9295123260595213
Energy: 1.7477557747603458
Energy: 1.9588455376210119
Energy: 1.7208415446667358
Energy: 1.825241292467973
Energy: 1.7208415446667358
Energy: 1.826075024151519
Energy: 1.7212285758285395
Energy: 1.8208668609155756
Energy: 1.7212285758285395
Energy: 1.8210175149530128
Energy: 1.7243761057996891
Energy: 1.8273649651820438
Energy: 1.7243761057996891
Energy: 1.8791921089211927
Energy: 1.7453944876574148
Energy: 1.9613230987933234
Energy: 1.7453944876574148
Energy: 1.9312114844261685
Energy: 1.9328564440847082
Energy: 2.2162764520551588
Energy: 1.9328564440847082
Energy: 2.213597367320225
Energy: 1.931398428463791
Energy: 2.216203083446657
Energy: 1.931398428464756
Energy: 2.153608762808574
Energy: 1.6752664567863804
Energy: 2.084454662222932
Energy: 1.6752664567863804
Energy: 1.9852335060481574
Energy: 1.6792374648224686
Energy: 1.6758166318722443
Energy: 1.6792374648224686
Energy: 2.15073431845775
Energy: 1.675635092795301
Energy: 1.6714070016688605
Energy: 1.675635092794336
Energy: 2.0660664913644475
Energy: 1.6778308810386755
Energy: 1.6756092537151206
Energy: 1.6778308810396405
Energy: 2.1531077407503085
Energy: 1.6758580082504069
Energy: 1.676079110248505
Energy: 1.6758580082513717
Energy: 2.1559413140960237
Energy: 1.67691481669954
Energy: 1.9400125535696762
Energy: 1.676914816698575
Energy: 2.216246907755687
Energy: 1.7458169437552573
Energy: 2.084512395721923
Energy: 1.7458169437562219
Energy: 2.1906305636768857
Energy: 1.9326685379237372
Energy: 2.427486699509612
Energy: 1.9326685379227722
Energy: 1.9323211771685114
Energy: 1.7472220120758999
Energy: 2.2612251318530667
Energy: 1.7472220120758999
Energy: 1.8836298647262837
Energy: 1.7254888386628824
Energy: 1.9598633592661527
Energy: 1.7254888386638474
Energy: 1.8239232033013633
Energy: 1.7231013905965746
Energy: 1.8268443772598384
Energy: 1.7231013905965746
Energy: 1.825812736159263
Energy: 1.7767840652302325
Energy: 1.8250002577863083
Energy: 1.7767840652292675
Energy: 1.9582840322690163
Energy: 1.7232742560046475
Energy: 1.8817827106314406
Energy: 1.7232742560036824
Energy: 2.216278541629412
Energy: 1.9320833480172712
Energy: 1.9335476962427962
Energy: 1.9320833480182362
Energy: 2.2159811645249325
Energy: 1.9322678793735366
Energy: 2.2175639112047403
Energy: 1.9322678793735366
Energy: 2.0847092110554457
Energy: 1.6748802815057962
Energy: 2.1738117163684705
Energy: 1.6748802815067612
Energy: 1.9386266116337487
Energy: 1.6805818482137145
Energy: 1.987015050827996
Energy: 1.6805818482127495
Energy: 1.6730853936993086
Energy: 1.6753072339652373
Energy: 1.9860013848981208
Energy: 1.6753072339652373
Energy: 1.6734215454447074
Energy: 1.6769585147924673
Energy: 2.0616198896127735
Energy: 1.6769585147915023
Energy: 1.6735583828198781
Energy: 1.6753693877123572
Energy: 2.1536240147157257
Energy: 1.6753693877123572
Energy: 1.6760233016278792
Energy: 1.6797260514134689
Energy: 2.153827716315764
Energy: 1.6797260514134689
Energy: 2.084156219043685
Energy: 1.67512047297769
Energy: 2.1750929617986445
Energy: 1.6751204729786549
Energy: 2.345349765702007
Energy: 1.7473521304979953
Energy: 2.187806177961809
Energy: 1.7473521304979953

minimum gb energy = 1.6714070016688605 eV
minimum distance =  2.62592931244493 Angstroms
sigma value = 29


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

Energy: 2.294229593477778
Energy: 1.8345144217397038
Energy: 1.8352238736301871
Energy: 1.5244078539184551
Energy: 1.7489080067234766
Energy: 1.596833440352326
Energy: 1.7513890234019112
Energy: 1.5968334403526623
Energy: 1.7650695626069812
Energy: 1.596083053291064
Energy: 1.7594412876368493
Energy: 1.5960830532913626
Energy: 1.7587434355131384
Energy: 1.586371279475165
Energy: 1.4841998576617232
Energy: 1.586371279475165
Energy: 1.7611230628676804
Energy: 1.5864155203586476
Energy: 1.8114377809318876
Energy: 1.5864155203586476
Energy: 1.748986066741264
Energy: 1.5924551111010297
Energy: 1.8089145449576614
Energy: 1.5924551111003575
Energy: 1.8377114108692734
Energy: 1.8369266944774671
Energy: 1.745048818935018
Energy: 1.8369266944778033
Energy: 1.837855541961896
Energy: 1.5976762158414333
Energy: 1.8363978647225878
Energy: 1.5976762158414333
Energy: 1.9785818561747712
Energy: 1.5965370745552903
Energy: 1.834990094207249
Energy: 1.5965370745552903

minimum gb energy = 1.4841998576617232 eV
minimum distance =  2.71832970220948 Angstroms
sigma value = 5


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

Energy: 2.222055631096423
Energy: 2.18518759229001
Energy: 2.188535225492077
Energy: 2.0496953575038193
Energy: 1.6199555803577288
Energy: 1.6323391728315728
Energy: 1.959798692093326
Energy: 1.632339172832484
Energy: 1.6207838008533437
Energy: 1.625860209409162
Energy: 2.0112912313258393
Energy: 1.6258602094100734
Energy: 1.6168132569774707
Energy: 1.627818689977404
Energy: 1.965652210073052
Energy: 1.6278186899764926
Energy: 1.6190391256256773
Energy: 1.6285501677978895
Energy: 1.9747920693214487
Energy: 1.628550167798801
Energy: 1.6524778081150242
Energy: 1.6659030093461726
Energy: 1.863206728243858
Energy: 1.6659030093470844
Energy: 1.6536290485838463
Energy: 1.6659214874392958
Energy: 1.8825693170232687
Energy: 1.6659214874392958
Energy: 1.6557287897930966
Energy: 1.663340295710686
Energy: 1.8791390002707182
Energy: 1.6633402957097745
Energy: 1.6565366690384775
Energy: 1.6641389385507233
Energy: 1.8223300678099872
Energy: 1.6641389385498118
Energy: 2.0290971949928895
Energy: 1.9277521794363766
Energy: 2.0270404954440786
Energy: 1.927752179437288
Energy: 1.7571099690190453
Energy: 1.7255994549624893
Energy: 1.940162262410422
Energy: 1.7255994549624893
Energy: 2.0416791060978907
Energy: 1.7300539846170997
Energy: 2.036824045799513
Energy: 1.7300539846161884
Energy: 1.8999115685987213
Energy: 1.898961186149933
Energy: 2.035033538057771
Energy: 1.898961186150844
Energy: 1.7487004183963335
Energy: 1.6891013610451817
Energy: 1.6563449265625376
Energy: 1.689101361046093
Energy: 1.8822217779016452
Energy: 1.6652151442006875
Energy: 1.6559883190431146
Energy: 1.6652151441988645
Energy: 1.8808274699699545
Energy: 1.6636963765170343
Energy: 1.6564041885595795
Energy: 1.6636963765161226
Energy: 1.922354954009061
Energy: 1.6671744037448064
Energy: 1.7101076473754488
Energy: 1.6671744037429832
Energy: 1.9899182990720452
Energy: 1.6256043724374132
Energy: 1.616284508398938
Energy: 1.6256043724383247
Energy: 2.009629737213709
Energy: 1.6649311574792636
Energy: 1.6203359359432237
Energy: 1.664931157478352
Energy: 1.9916340211045105
Energy: 1.6273756563916937
Energy: 1.6212346599965763
Energy: 1.6273756563944284
Energy: 2.1818756364628897
Energy: 1.953806116653932
Energy: 1.8630091279811867
Energy: 1.953806116653021
Energy: 2.250413362140762
Energy: 1.954764189200787
Energy: 1.8646471837915717
Energy: 1.954764189200787
Energy: 1.8707316398561828
Energy: 1.629000026298143
Energy: 1.6208780291245222
Energy: 1.629000026298143
Energy: 2.041034764991166
Energy: 1.6845277501396674
Energy: 1.7623305033616368
Energy: 1.6845277501414901
Energy: 2.0429040847558095
Energy: 1.6260491758998845
Energy: 1.6824593585746115
Energy: 1.626049175900796
Energy: 1.805173862271814
Energy: 1.6856141351269136
Energy: 1.7351913886693444
Energy: 1.6856141351269136
Energy: 1.7323571312239168
Energy: 1.6886912365431603
Energy: 1.734352747634982
Energy: 1.6886912365449833
Energy: 1.7352563957382112
Energy: 1.6837889856967982
Energy: 1.7542511519753368
Energy: 1.6837889856977095
Energy: 1.6414287815307294
Energy: 1.7759423359352497
Energy: 1.8489815774670066
Energy: 1.775942335933427
Energy: 1.682375634470589
Energy: 1.6828007526253987
Energy: 2.0046649400044254
Energy: 1.6828007526263102
Energy: 1.7628345801476442
Energy: 1.6834702864499989
Energy: 2.033333123385272
Energy: 1.6834702864499989
Energy: 1.623026504224241
Energy: 1.6318805747557958
Energy: 2.0048742437531866
Energy: 1.6318805747548843
Energy: 1.6691236936000655
Energy: 2.1057786966636893
Energy: 2.177434469677167
Energy: 2.1057786966646

minimum gb energy = 1.616284508398938 eV
minimum distance =  2.62078998062939 Angstroms
sigma value = 1


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

Energy: 2.752084459063082
Energy: 1.9129441481814966
Energy: 1.9150034650519372
Energy: 1.5475724561630684
Energy: 1.765008034074367
Energy: 1.5911217021918163
Energy: 1.7206196519835693
Energy: 1.5911217021905562
Energy: 1.5931286678592596
Energy: 1.5882217509420313
Energy: 1.7835380509537813
Energy: 1.5882217509420313
Energy: 1.5868466764348637
Energy: 1.5953239928587009
Energy: 1.6205977504222264
Energy: 1.5953239928587009
Energy: 1.587761089531016
Energy: 1.5983730176550803
Energy: 1.782740748627048
Energy: 1.5983730176550803
Energy: 1.5868088839377579
Energy: 1.5969377412549657
Energy: 1.7835401393146093
Energy: 1.5969377412549657
Energy: 1.5858605607005891
Energy: 1.5972796685733137
Energy: 1.7891360500575173
Energy: 1.5972796685720536
Energy: 1.5908162295344268
Energy: 1.5891687464472175
Energy: 1.784644818994871
Energy: 1.5891687464472175
Energy: 1.7405257392878761
Energy: 1.651862875188912
Energy: 1.7194120726778361
Energy: 1.651862875188912
Energy: 1.8585832158051716
Energy: 1.9298478492009308
Energy: 1.928991835219779
Energy: 1.9298478491996707
Energy: 1.739646982943993
Energy: 1.6529220358694694
Energy: 1.5906332842680069
Energy: 1.6529220358682093
Energy: 1.739948313870718
Energy: 1.5902087137763046
Energy: 1.891772987582777
Energy: 1.5902087137775645
Energy: 1.5853176110512348
Energy: 1.59242216509126
Energy: 1.8920812110579743
Energy: 1.59242216509126
Energy: 1.718082301488902
Energy: 1.650729125114394
Energy: 1.7650643387264802
Energy: 1.650729125114394
Energy: 1.6203678240443857
Energy: 1.5924683673319588
Energy: 1.5925586022137206
Energy: 1.5924683673319588
Energy: 1.6204344953550673
Energy: 1.588461830099616
Energy: 1.5907385487584258
Energy: 1.588461830099616
Energy: 1.7824346574413392
Energy: 1.602304496809032
Energy: 1.6288936695093923
Energy: 1.602304496809032
Energy: 1.78394541432246
Energy: 1.589366684951908
Energy: 1.5904897574156938
Energy: 1.589366684951908
Energy: 1.7863561733630662
Energy: 1.5981605792289455
Energy: 1.5915194952964857
Energy: 1.5981605792289455
Energy: 1.786536657222776
Energy: 1.5923208797909325
Energy: 1.7408281923365112
Energy: 1.5923208797909325
Energy: 1.9082327016341498
Energy: 1.5902924785739623
Energy: 1.858565223281103
Energy: 1.5902924785739623
Energy: 1.9315879696662228
Energy: 1.9110332281079956
Energy: 1.8584999282944963
Energy: 1.9110332281067353
Energy: 1.7652279592623712
Energy: 1.6508522660742018
Energy: 1.7402685055700151
Energy: 1.6508522660754623
Energy: 1.8920034132094246
Energy: 1.591764590293383
Energy: 1.5906123941483097
Energy: 1.5917645902946431

minimum gb energy = 1.5475724561630684 eV
minimum distance =  2.62018998703286 Angstroms
sigma value = 17


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

Energy: 2.166383227429705
Energy: 2.194917595193372
Energy: 2.329506509216458
Energy: 2.052848764397932
Energy: 1.5923971103997228
Energy: 1.6332858399541172
Energy: 1.8581466582594472
Energy: 1.6332858399548964
Energy: 1.591589542716565
Energy: 1.5946947497926445
Energy: 1.9037272227334463
Energy: 1.594694749790308
Energy: 1.5924169779792525
Energy: 1.5965762203976646
Energy: 1.902903867638598
Energy: 1.5965762203961065
Energy: 1.5948448299455291
Energy: 1.5980916037738528
Energy: 1.777995731309619
Energy: 1.5980916037738528
Energy: 1.6831358806260799
Energy: 1.6327780503967515
Energy: 1.7003368458711254
Energy: 1.6327780503975304
Energy: 1.6838652585165175
Energy: 1.6335546220825872
Energy: 1.6821973926585212
Energy: 1.6335546220825872
Energy: 1.743759595835313
Energy: 1.6341600632819429
Energy: 1.6812432783206404
Energy: 1.6341600632804556
Energy: 1.781005837089498
Energy: 1.5958768189307724
Energy: 1.5910189884198642
Energy: 1.5958768189307724
Energy: 1.905718018712698
Energy: 1.599267676472276
Energy: 1.5974181687552116
Energy: 1.599267676472276
Energy: 1.9210826137850927
Energy: 1.5972036986108427
Energy: 1.5918999702907375
Energy: 1.5972036986077267
Energy: 2.0117754881626895
Energy: 1.6286391201007622
Energy: 1.6291165269043908
Energy: 1.6286391200992045
Energy: 2.228761105915705
Energy: 1.9392464548024233
Energy: 1.6344183292450294
Energy: 1.9392464548008654
Energy: 1.6343809059175867
Energy: 1.600345224944721
Energy: 1.5918114800159167
Energy: 1.600345224943163
Energy: 1.955785100817893
Energy: 1.595693888076664
Energy: 1.7346915322838867
Energy: 1.595693888075885
Energy: 1.6408228904946751
Energy: 1.5944418319729554
Energy: 1.6920036520542505
Energy: 1.5944418319729554
Energy: 1.630139966848945
Energy: 1.6317936720485742
Energy: 1.7736502558032299
Energy: 1.6317936720477955
Energy: 1.6292083724394566
Energy: 1.635665248793553
Energy: 1.7901190347016032
Energy: 1.635665248793553
Energy: 1.6346859372895475
Energy: 1.6268986355791495
Energy: 1.7768567267011912
Energy: 1.6268986355791495
Energy: 1.6653078766434108
Energy: 1.7524300473630157
Energy: 1.9047364179805126
Energy: 1.7524300473661314
Energy: 1.609029636491256
Energy: 1.6120285345106398
Energy: 1.8850348879266772
Energy: 1.6120285345129763
Energy: 1.6050452343337283
Energy: 1.6132736618166785
Energy: 1.8857752464197173
Energy: 1.6132736618190155
Energy: 1.6057445625334272
Energy: 1.617333227456269
Energy: 1.7245578174048282
Energy: 1.617333227456269
Energy: 1.940192588513337
Energy: 1.9202927969094965
Energy: 1.9236184759794421
Energy: 1.9202927969110544
Energy: 1.6345042650585964
Energy: 1.6120363741161168
Energy: 1.7605703320984967
Energy: 1.612036374114559
Energy: 1.605156739066827
Energy: 1.6139439566144511
Energy: 1.6042815073980772
Energy: 1.613943956612893
Energy: 1.9974709361114857
Energy: 1.9651524529241486
Energy: 1.919701919854053
Energy: 1.9651524529264854
Energy: 1.7278445299794971
Energy: 1.6129099723192084
Energy: 1.6143902152623677
Energy: 1.6129099723176503
Energy: 1.9143200367969238
Energy: 1.612460063193156
Energy: 1.6054349996901751
Energy: 1.612460063193156
Energy: 1.8566435097118583
Energy: 1.6146485090316962
Energy: 1.6038652475565582
Energy: 1.614648509030917
Energy: 1.8712039850872169
Energy: 1.6154273556204368
Energy: 1.6046461907762974
Energy: 1.6154273556204368
Energy: 1.7982474329536604
Energy: 1.6359248232389003
Energy: 1.6297227295013632
Energy: 1.6359248232389003
Energy: 1.7901061646064402
Energy: 1.6312782198736488
Energy: 1.6320926165750862
Energy: 1.6312782198759859
Energy: 1.791981664015542
Energy: 1.6278312088274802
Energy: 1.6289797356609874
Energy: 1.6278312088274802
Energy: 1.6300841131707091
Energy: 1.5959824815539796
Energy: 1.6292288928868675
Energy: 1.5959824815532007
Energy: 1.6930351523818834
Energy: 1.7360737380941973
Energy: 1.7816054092352995
Energy: 1.736073738094976
Energy: 1.5920762488840567
Energy: 1.596303366444807
Energy: 1.7297247365903734
Energy: 1.5963033664424702
Energy: 1.6121401660500678
Energy: 1.6287342837583205
Energy: 1.9273831164889765
Energy: 1.6287342837575416

minimum gb energy = 1.5910189884198642 eV
minimum distance =  2.61347381666339 Angstroms
sigma value = 89


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

Energy: 2.9936594321246126
Energy: 1.8870279328971085
Energy: 1.8865259114610469
Energy: 1.5287195122830726
Energy: 1.6109414479879092
Energy: 1.5368025107757506
Energy: 1.519521463831025
Energy: 1.5368025107757506
Energy: 1.5222164745790703
Energy: 1.5339460887617025
Energy: 1.69514085672639
Energy: 1.5339460887617025
Energy: 1.5215409461659484
Energy: 1.5348088892989191
Energy: 1.6943113980543905
Energy: 1.5348088892989191
Energy: 1.5243498308040517
Energy: 1.534667472944382
Energy: 1.6473059619420263
Energy: 1.534667472944382
Energy: 1.6053161086839627
Energy: 1.533691503718524
Energy: 1.6450414661359105
Energy: 1.533691503720562
Energy: 1.6084928575895943
Energy: 1.531493859811651
Energy: 1.608059840618542
Energy: 1.531493859811651
Energy: 1.6464370202474377
Energy: 1.5332240831502706
Energy: 1.6105610858388846
Energy: 1.5332240831502706
Energy: 1.6459133457114876
Energy: 1.5355963107825683
Energy: 1.5220760230518648
Energy: 1.5355963107825683
Energy: 1.637677693917792
Energy: 1.5467294606692485
Energy: 1.5243615348465933
Energy: 1.5467294606692485
Energy: 1.6364389494391345
Energy: 1.533117618581427
Energy: 1.5213305167085331
Energy: 1.533117618581427
Energy: 1.5194084388359492
Energy: 1.5333505289403278
Energy: 1.6268148128440116
Energy: 1.5333505289403278
Energy: 1.8974717923976019
Energy: 1.890249944550571
Energy: 1.6258812820235622
Energy: 1.890249944550571
Energy: 1.5210136582584197
Energy: 1.659333432855002
Energy: 1.5219361322522773
Energy: 1.659333432855002
Energy: 1.5111306842764052
Energy: 1.5346862697357393
Energy: 1.5222937822728215
Energy: 1.5346862697357393

minimum gb energy = 1.5111306842764052 eV
minimum distance =  2.62695574351153 Angstroms
sigma value = 13


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

Energy: 1.7864510940594207
Energy: 1.8488215072518768
Energy: 1.9002391774633896
Energy: 1.5035281845203727
Energy: 1.6119643105636725
Energy: 1.4968903069283437
Energy: 1.4943635521291496
Energy: 1.496890306929198
Energy: 1.495343743854072
Energy: 1.4943489379145132
Energy: 1.7378724358521018
Energy: 1.4943489379145132
Energy: 1.4932065862453874
Energy: 1.493476395379075
Energy: 1.7286699797489884
Energy: 1.4934763953782209
Energy: 1.609711546861007
Energy: 1.4953220367033837
Energy: 1.5901254509978944
Energy: 1.4953220367016753
Energy: 1.6539747611217366
Energy: 1.4694304780955016
Energy: 1.5238733107836742
Energy: 1.4694304780955016
Energy: 1.644430066440623
Energy: 1.4686674740587715
Energy: 1.5243601237780433
Energy: 1.4686674740587715
Energy: 1.680454195626244
Energy: 1.4703269924255458
Energy: 1.5227902097989006
Energy: 1.4703269924264
Energy: 1.6271715260337434
Energy: 1.471566068638178
Energy: 1.525790178990427
Energy: 1.471566068638178
Energy: 1.6442282250834377
Energy: 1.4717330826000918
Energy: 1.5209441689017336
Energy: 1.4717330825992374
Energy: 1.6438668421251792
Energy: 1.476788538299038
Energy: 1.589898516171927
Energy: 1.476788538299038
Energy: 1.4940925704960681
Energy: 1.49331676481364
Energy: 1.6269912639260207
Energy: 1.49331676481364
Energy: 1.4965281997298685
Energy: 1.4932452878394404
Energy: 1.6269929109292456
Energy: 1.4932452878394404
Energy: 1.4953019084653565
Energy: 1.501699348823924
Energy: 1.627766092283711
Energy: 1.5016993488256327
Energy: 1.6225519706380345
Energy: 1.4934416680426077
Energy: 1.8434734877851786
Energy: 1.493441668043462
Energy: 1.623084531027826
Energy: 1.4931537556499355
Energy: 1.4948486436367179
Energy: 1.4931537556482268
Energy: 1.4953664783204192
Energy: 1.5015137352561287
Energy: 1.495512880865904
Energy: 1.501513735256983
Energy: 1.4984116689908247
Energy: 1.4964776765873795
Energy: 1.7264469499661277
Energy: 1.4964776765873795
Energy: 1.4953598081450452
Energy: 1.4943534301066388
Energy: 1.484507165121216
Energy: 1.4943534301066388
Energy: 1.6263127500098984
Energy: 1.4967639616587054
Energy: 1.4947394846063666
Energy: 1.4967639616587054
Energy: 1.7886861369594085
Energy: 1.4954926879929278
Energy: 1.4938854170920361
Energy: 1.495492687993782
Energy: 1.5899709460644902
Energy: 1.4967746047101012
Energy: 1.4964338001181579
Energy: 1.4967746047109554
Energy: 1.5917884664133077
Energy: 1.4714812095622183
Energy: 1.6473533338994955
Energy: 1.4714812095622183
Energy: 1.5298897580461446
Energy: 1.469843656778367
Energy: 1.553989045478807
Energy: 1.469843656778367
Energy: 1.5209013097810353
Energy: 1.4721836780084536
Energy: 1.627696734048393
Energy: 1.4721836780084536
Energy: 1.5220142211735823
Energy: 1.474888785281325
Energy: 1.6814437086986884
Energy: 1.474888785281325
Energy: 1.5244279682745292
Energy: 1.4724347944971015
Energy: 1.645244510797577
Energy: 1.4724347944971015
Energy: 1.595180192801263
Energy: 1.4734645252574565
Energy: 1.644336686688635
Energy: 1.473464525256602
Energy: 1.590417315148552
Energy: 1.4948207674725218
Energy: 1.4936583104406855
Energy: 1.4948207674716676
Energy: 1.641362822344492
Energy: 1.4935621327601312
Energy: 1.4972551537280219
Energy: 1.4935621327601312
Energy: 1.6255677036993388
Energy: 1.4965820082315735
Energy: 1.495061742324344
Energy: 1.4965820082324277
Energy: 1.496519001470233
Energy: 1.4934676270057674
Energy: 1.623163692128241
Energy: 1.4934676270066218
Energy: 1.8562904794259214
Energy: 1.4937588038804415
Energy: 1.6226103025249068
Energy: 1.4937588038804415
Energy: 1.495567678288935
Energy: 1.5014341594744247
Energy: 1.4951222932837391
Energy: 1.501434159475279
Energy: 1.4851244996647064
Energy: 1.493531558406915
Energy: 1.4972589932056106
Energy: 1.4935315584060609

minimum gb energy = 1.4686674740587715 eV
minimum distance =  2.64411669199656 Angstroms
sigma value = 37


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

Energy: 1.7665970806306401
Energy: 1.7537700949246988
Energy: 1.7956859636370701
Energy: 1.4408727598773312
Energy: 1.4345790350207321
Energy: 1.4271145749291578
Energy: 1.4309516539813187
Energy: 1.4271145749291578
Energy: 1.4335513117600351
Energy: 1.429765284824627
Energy: 1.6740908588940913
Energy: 1.429765284824627
Energy: 1.433093892713357
Energy: 1.4287076786414616
Energy: 1.6731832093033754
Energy: 1.4287076786414616
Energy: 1.557325674619195
Energy: 1.4442083202557288
Energy: 1.514195031996148
Energy: 1.4442083202557288
Energy: 1.6016567513472455
Energy: 1.385284675251045
Energy: 1.4359665478010233
Energy: 1.385284675251045
Energy: 1.5184634354142474
Energy: 1.3844007925081132
Energy: 1.435638802433948
Energy: 1.3844007925066433
Energy: 1.5715759534249378
Energy: 1.3650730161380409
Energy: 1.4355033444543368
Energy: 1.3650730161380409
Energy: 1.4847624639745247
Energy: 1.3625292621632932
Energy: 1.4838259312147237
Energy: 1.3625292621632932
Energy: 1.4836555083732736
Energy: 1.3624933249358235
Energy: 1.48394807060798
Energy: 1.3624933249358235
Energy: 1.4940150220236588
Energy: 1.477975310481252
Energy: 1.5724525492453443
Energy: 1.477975310481252
Energy: 1.4360797847707896
Energy: 1.385273984463397
Energy: 1.602040584681527
Energy: 1.385273984463397
Energy: 1.4356747393837748
Energy: 1.3849218974393547
Energy: 1.6012978719079305
Energy: 1.384921897437885
Energy: 1.5144474523945155
Energy: 1.3858272132555889
Energy: 1.5562713626003306
Energy: 1.3858272132555889
Energy: 1.5944253630694762
Energy: 1.4280521804180735
Energy: 1.4354315532468045
Energy: 1.4280521804195432
Energy: 1.515505267566622
Energy: 1.428961214590616
Energy: 1.4334899556731704
Energy: 1.428961214590616
Energy: 1.5768868220604204
Energy: 1.4442492737995256
Energy: 1.4336264236675536
Energy: 1.4442492737995256
Energy: 1.7549689777253217
Energy: 1.7538559751849507
Energy: 1.5645739188679784
Energy: 1.7538559751849507
Energy: 1.4333176138869559
Energy: 1.4307614463364478
Energy: 1.564283792879278
Energy: 1.4307614463364478
Energy: 1.421662682722929
Energy: 1.427206500612451
Energy: 1.433677430647364
Energy: 1.427206500612451

minimum gb energy = 1.3624933249358235 eV
minimum distance =  2.64299073964348 Angstroms
sigma value = 25


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

Energy: 1.7089801706961048
Energy: 1.6218656722995628
Energy: 1.6239205336784712
Energy: 1.3408498996343117
Energy: 1.338305640424214
Energy: 1.3392294720939522
Energy: 1.3385176919680668
Energy: 1.3392294720894138
Energy: 1.3381223811242244
Energy: 1.334638703732007
Energy: 1.348931842959411
Energy: 1.3346387037331549
Energy: 1.3389003004942213
Energy: 1.328645827208249
Energy: 1.4786884082567733
Energy: 1.328645827208249
Energy: 1.3436873901064195
Energy: 1.2883755299415425
Energy: 1.3428710602024725
Energy: 1.2883755299415425
Energy: 1.4807952449587147
Energy: 1.2866983514987351
Energy: 1.3416113409788564
Energy: 1.2866983514998829
Energy: 1.4805899017931803
Energy: 1.28465813826966
Energy: 1.343822337099849
Energy: 1.28465813826966
Energy: 1.4009145412535198
Energy: 1.2715685863150599
Energy: 1.420749043325781
Energy: 1.2715685863139121
Energy: 1.3563630756596756
Energy: 1.2436506700589396
Energy: 1.4461684182986931
Energy: 1.2436506700589396
Energy: 1.3580072657224445
Energy: 1.2441130010848431
Energy: 1.4461953645832801
Energy: 1.2441130010848431
Energy: 1.3687642584386759
Energy: 1.3487391820992223
Energy: 1.4362706974132267
Energy: 1.3487391821003698
Energy: 1.3868583196026676
Energy: 1.2295441071644861
Energy: 1.3866640733291054
Energy: 1.2295441071633384
Energy: 1.3890307368232135
Energy: 1.2299834293044143
Energy: 1.3873138579064108
Energy: 1.2299834293055623
Energy: 1.435679077982463
Energy: 1.2469717428773581
Energy: 1.361216425949383
Energy: 1.2469717428773581
Energy: 1.4462091129935453
Energy: 1.2428471280727875
Energy: 1.3578243116526787
Energy: 1.2428471280727875
Energy: 1.4466609079647215
Energy: 1.2448892252316246
Energy: 1.3585181626406468
Energy: 1.2448892252316246
Energy: 1.342961488542574
Energy: 1.2861311184488162
Energy: 1.4003502506735654
Energy: 1.2861311184488162
Energy: 1.3455705345058775
Energy: 1.2851485755807943
Energy: 1.4429221661666212
Energy: 1.2851485755807943
Energy: 1.3418122793929284
Energy: 1.2898498217750585
Energy: 1.484109409343106
Energy: 1.289849821776206
Energy: 1.3421200484593923
Energy: 1.3397693908653097
Energy: 1.3381252666498846
Energy: 1.3397693908641621
Energy: 1.6410689748357004
Energy: 1.3304548245686787
Energy: 1.339571613544199
Energy: 1.3304548245686787
Energy: 1.3421676052627
Energy: 1.3337449906463053
Energy: 1.3379464231013198
Energy: 1.3337449906463053
Energy: 1.3424255585677236
Energy: 1.3364041351871492
Energy: 1.338071753685826
Energy: 1.3364041351871492
Energy: 1.3382823508454051
Energy: 1.334252432798732
Energy: 1.5409683103628173
Energy: 1.3342524327998795
Energy: 1.3382425947601075
Energy: 1.3365624107646412
Energy: 1.3379103705035655
Energy: 1.3365624107657887
Energy: 1.6028880418543556
Energy: 1.3297853634190229
Energy: 1.3380302159126045
Energy: 1.3297853634190229

minimum gb energy = 1.2295441071633384 eV
minimum distance =  2.65625242446435 Angstroms
sigma value = 41


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

Energy: 1.6340574448938554
Energy: 1.4828286759511864
Energy: 1.4856934763091907
Energy: 1.251506272734905
Energy: 1.249727992395454
Energy: 1.2527673473938767
Energy: 1.254003701402659
Energy: 1.2527673473938767
Energy: 1.2504499981568271
Energy: 1.24285712514629
Energy: 1.2602351472000515
Energy: 1.24285712514629
Energy: 1.2513733977535288
Energy: 1.2401183856450209
Energy: 1.4214928648037495
Energy: 1.2401183856450209
Energy: 1.2552620377845547
Energy: 1.2206763294378888
Energy: 1.2542356188734576
Energy: 1.2206763294369478
Energy: 1.4229959165066308
Energy: 1.2040860546998131
Energy: 1.254544616495772
Energy: 1.2040860546998131
Energy: 1.422996818157248
Energy: 1.2016623541964773
Energy: 1.2559899964711692
Energy: 1.2016623541955362
Energy: 1.3029883082219698
Energy: 1.2866240054159013
Energy: 1.3605953911187458
Energy: 1.2866240054159013
Energy: 1.2681169614949637
Energy: 1.1594331860243183
Energy: 1.287566759707119
Energy: 1.1594331860243183
Energy: 1.2690270852565497
Energy: 1.1600367140729353
Energy: 1.2882824737205691
Energy: 1.1600367140729353
Energy: 1.3093372689975253
Energy: 1.1349558670963498
Energy: 1.3352557158868072
Energy: 1.1349558670963498
Energy: 1.2713527704322247
Energy: 1.1339363967527267
Energy: 1.284765679807105
Energy: 1.1339363967527267
Energy: 1.3292552816496346
Energy: 1.1336611885508574
Energy: 1.2863527800322976
Energy: 1.1336611885499166
Energy: 1.3310871215594096
Energy: 1.1246361844170074
Energy: 1.2802965086980456
Energy: 1.1246361844188895
Energy: 1.3045301020329174
Energy: 1.1232394053835824
Energy: 1.2738590797816254
Energy: 1.1232394053835824
Energy: 1.3107620082066698
Energy: 1.1248325387985298
Energy: 1.3168403680020198
Energy: 1.1248325387985298
Energy: 1.2722440354722266
Energy: 1.1336295556613507
Energy: 1.3310538440723265
Energy: 1.1336295556613507
Energy: 1.283002424237593
Energy: 1.1334985352588964
Energy: 1.2721219316272219
Energy: 1.1334985352598375
Energy: 1.3060253584409973
Energy: 1.1330334616308777
Energy: 1.3404236825216074
Energy: 1.1330334616318187
Energy: 1.3353138390647783
Energy: 1.1600309635935442
Energy: 1.2686548146982628
Energy: 1.1600309635935442
Energy: 1.3580220193722679
Energy: 1.1610893632999162
Energy: 1.2688876942910072
Energy: 1.1610893632989752
Energy: 1.3590017183914178
Energy: 1.1609882222742498
Energy: 1.303432195562343
Energy: 1.1609882222733088
Energy: 1.2568499449878026
Energy: 1.2028330127833815
Energy: 1.2676021276831222
Energy: 1.2028330127833815
Energy: 1.2545657660833534
Energy: 1.2019468838231195
Energy: 1.3562214907876629
Energy: 1.2019468838231195
Energy: 1.254060252388064
Energy: 1.2039298426417997
Energy: 1.3518544269090327
Energy: 1.2039298426417997
Energy: 1.2677035060966946
Energy: 1.2420614979862235
Energy: 1.252668888382897
Energy: 1.2420614979871645
Energy: 1.3504333375853963
Energy: 1.2403284116026145
Energy: 1.2507044289165816
Energy: 1.2403284116016737
Energy: 1.2554182122086714
Energy: 1.2493169778112694
Energy: 1.249934257265951
Energy: 1.2493169778122104
Energy: 1.2543906943793321
Energy: 1.2405127384987167
Energy: 1.3492953620200283
Energy: 1.2405127384987167
Energy: 1.2502325484839965
Energy: 1.2418097717428183
Energy: 1.3484227312016615
Energy: 1.2418097717428183
Energy: 1.2495346517366808
Energy: 1.2464623869180953
Energy: 1.2501554214245816
Energy: 1.2464623869190363
Energy: 1.2637584718910249
Energy: 1.2405933959833106
Energy: 1.255303805958296
Energy: 1.2405933959833106

minimum gb energy = 1.1232394053835824 eV
minimum distance =  2.66341020894249 Angstroms
sigma value = 15


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

Energy: 1.4606412180553805
Energy: 1.370916866038527
Energy: 1.3973941994908452
Energy: 1.1741935710897953
Energy: 1.243606739999129
Energy: 1.1355274900250818
Energy: 1.1771778932426136
Energy: 1.1355274900290668
Energy: 1.1733272473573255
Energy: 1.1668094355731142
Energy: 1.187175488957505
Energy: 1.166809435572317
Energy: 1.1751066297356327
Energy: 1.1646069721047347
Energy: 1.1704938956320587
Energy: 1.164606972107126
Energy: 1.1788190887545023
Energy: 1.147591440428756
Energy: 1.1781905728029745
Energy: 1.147591440428756
Energy: 1.271046200744501
Energy: 1.1324298277010802
Energy: 1.1770647280407398
Energy: 1.1324298277034717
Energy: 1.2194788005210708
Energy: 1.1312961897675005
Energy: 1.1782512440146053
Energy: 1.1312961897667035
Energy: 1.2183546952880446
Energy: 1.2159646630340821
Energy: 1.2345095995320736
Energy: 1.215964663036473
Energy: 1.19072840501073
Energy: 1.0920497452509748
Energy: 1.2158420397469658
Energy: 1.0920497452493807
Energy: 1.188084136432208
Energy: 1.0919413868799692
Energy: 1.2170967912596224
Energy: 1.091941386879172
Energy: 1.2091029807559621
Energy: 1.0631705839677301
Energy: 1.2470379399924905
Energy: 1.0631705839693242
Energy: 1.1926867250146211
Energy: 1.063126088481257
Energy: 1.2000258581986902
Energy: 1.063126088479663
Energy: 1.243173488683075
Energy: 1.0613653264493175
Energy: 1.199846108441685
Energy: 1.0613653264501146
Energy: 1.246231697608336
Energy: 1.0456404271812825
Energy: 1.1893530583288863
Energy: 1.0456404271804853
Energy: 1.2236660988284873
Energy: 1.0467308514064053
Energy: 1.1846684959792741
Energy: 1.0467308514103906
Energy: 1.2169728555452288
Energy: 1.047104484942609
Energy: 1.2461588156645156
Energy: 1.0471044849418116
Energy: 1.2130244434246191
Energy: 1.04035662004888
Energy: 1.2490004339870433
Energy: 1.040356620046489
Energy: 1.2030427581652516
Energy: 1.0402575759409451
Energy: 1.2033161963805958
Energy: 1.0402575759417423
Energy: 1.2498263260584817
Energy: 1.0413648039428092
Energy: 1.2370331843040527
Energy: 1.041364803943606
Energy: 1.246374899224162
Energy: 1.0467508179911982
Energy: 1.204855821090034
Energy: 1.0467508179919953
Energy: 1.1850251126559388
Energy: 1.0473174093471536
Energy: 1.2255277315542732
Energy: 1.0473174093471536
Energy: 1.1976169386863373
Energy: 1.045414645613726
Energy: 1.2449934082250194
Energy: 1.0454146456145232
Energy: 1.1995352533852914
Energy: 1.0619909194833603
Energy: 1.2438332965334882
Energy: 1.0619909194825636
Energy: 1.2005689852856143
Energy: 1.0633089780388796
Energy: 1.205584156489906
Energy: 1.0633089780372857
Energy: 1.2470576217067273
Energy: 1.0629844836423468
Energy: 1.205982067848164
Energy: 1.0629844836431437
Energy: 1.2464119013147494
Energy: 1.0909798604374141
Energy: 1.1878339698712264
Energy: 1.09097986043582
Energy: 1.2092709600090692
Energy: 1.0916728054237352
Energy: 1.1897982499406294
Energy: 1.0916728054237352
Energy: 1.2936898199026914
Energy: 1.0929818987704951
Energy: 1.2194732760268154
Energy: 1.0929818987728863
Energy: 1.1779255540553484
Energy: 1.1318046509001851
Energy: 1.2818588453681277
Energy: 1.1318046509001851
Energy: 1.1863269903802276
Energy: 1.1321701398069284
Energy: 1.2819272260589578
Energy: 1.1321701398077253
Energy: 1.1778342365496042
Energy: 1.2323589463345896
Energy: 1.2761582256003647
Energy: 1.2323589463321984
Energy: 1.2824830375873806
Energy: 1.1648284898209957
Energy: 1.174326981994453
Energy: 1.1648284898162133
Energy: 1.1815590274324876
Energy: 1.1662171591015498
Energy: 1.1736306394362364
Energy: 1.1662171591015498
Energy: 1.1767508964927702
Energy: 1.1324468708736286
Energy: 1.1731884464566589
Energy: 1.1324468708728315
Energy: 1.3978269715976952
Energy: 1.359963569485445
Energy: 1.1787935463311885
Energy: 1.359963569483054
Energy: 1.173104040739487
Energy: 1.1682042333897265
Energy: 1.175986446620743
Energy: 1.1682042333873355
Energy: 1.180913642775715
Energy: 1.1673286881412106
Energy: 1.1737044179767047
Energy: 1.1673286881388196

minimum gb energy = 1.0402575759409451 eV
minimum distance =  2.66585106284372 Angstroms
sigma value = 85


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

Energy: 1.334612437115753
Energy: 1.1904512533456093
Energy: 1.237858243542527
Energy: 1.0165070132599405
Energy: 1.1066857997497792
Energy: 1.0045204598542654
Energy: 1.0495452636230616
Energy: 1.0045204598549566
Energy: 1.0366077635253457
Energy: 1.0300444337890913
Energy: 1.0400841551197915
Energy: 1.0300444337890913
Energy: 1.0383876344742857
Energy: 1.027216984036199
Energy: 1.0745852500755608
Energy: 1.0272169840355079
Energy: 1.0911887947837438
Energy: 1.0595177845507038
Energy: 1.049490705948911
Energy: 1.0595177845507038
Energy: 1.080170638532711
Energy: 1.00545198038758
Energy: 1.0492482458604786
Energy: 1.0054519803855062
Energy: 1.0802873704349678
Energy: 1.0046886980775138
Energy: 1.0504475148584727
Energy: 1.004688698078205
Energy: 1.0909819629874944
Energy: 1.0896026986514729
Energy: 1.08939357572013
Energy: 1.089602698652164
Energy: 1.0679567657634257
Energy: 0.9787169568028238
Energy: 1.0925418524052841
Energy: 0.9787169568021326
Energy: 1.0681965267836275
Energy: 0.978850041727466
Energy: 1.1067904891479268
Energy: 0.9788500417267749
Energy: 1.0966993678814656
Energy: 0.9614516780973742
Energy: 1.1208698330039142
Energy: 0.9614516780973742
Energy: 1.085073673636786
Energy: 0.9604107970465096
Energy: 1.0874165953579715
Energy: 0.9604107970465096
Energy: 1.1272490531444141
Energy: 0.9612994671814883
Energy: 1.0876031800073758
Energy: 0.9612994671821794
Energy: 1.1271900780534698
Energy: 0.9540320227440147
Energy: 1.091808794576969
Energy: 0.9540320227440147
Energy: 1.1102350679762243
Energy: 0.9512247809926947
Energy: 1.0882494805772676
Energy: 0.9512247809940771
Energy: 1.101427522127158
Energy: 0.9525076926179085
Energy: 1.13775929709302
Energy: 0.952507692617217
Energy: 1.092579111295662
Energy: 0.9490287911323204
Energy: 1.1384401916683025
Energy: 0.9490287911316291
Energy: 1.0933329179977958
Energy: 0.9483478613981243
Energy: 1.1328604635705422
Energy: 0.948347861397433
Energy: 1.1466369147715108
Energy: 0.9490237516863369
Energy: 1.0933226551907294
Energy: 0.9490237516849543
Energy: 1.1466802168743482
Energy: 0.9470950789157154
Energy: 1.1533241778231358
Energy: 0.9470950789150242
Energy: 1.1516320806454965
Energy: 0.9468396340816778
Energy: 1.151610506985232
Energy: 0.946839634082369
Energy: 1.092473837721
Energy: 0.9484557557477686
Energy: 1.1477536332728755
Energy: 0.9484557557477686
Energy: 1.1339644383744203
Energy: 0.947676283620032
Energy: 1.1470084380834953
Energy: 0.9476762836193406
Energy: 1.1328880470944802
Energy: 0.9471075864054452
Energy: 1.0936579927446306
Energy: 0.9471075864061363
Energy: 1.1398482465669466
Energy: 0.9469520316095625
Energy: 1.0921691178027038
Energy: 0.9469520316088712
Energy: 1.0911057181575432
Energy: 0.9518253580113712
Energy: 1.1107146603379119
Energy: 0.9518253580106799
Energy: 1.0911097391545175
Energy: 0.9515528372834346
Energy: 1.1104524197560375
Energy: 0.9515528372848172
Energy: 1.0905375150576286
Energy: 0.9497560973767055
Energy: 1.1272234066222102
Energy: 0.9497560973767055
Energy: 1.0879102175014923
Energy: 0.9609171120867079
Energy: 1.0960050378766184
Energy: 0.9609171120853254
Energy: 1.087432219954719
Energy: 0.961499297724837
Energy: 1.0782485295108741
Energy: 0.961499297724837
Energy: 1.1208764062628915
Energy: 1.0436427857499617
Energy: 1.0791658742155168
Energy: 1.0436427857492705
Energy: 1.0842845400639942
Energy: 0.9774775005321947
Energy: 1.06802290003837
Energy: 0.9774775005328861
Energy: 1.089718290480903
Energy: 0.9787001285097139
Energy: 1.0677672073513145
Energy: 0.9787001285097139
Energy: 1.0496680631246011
Energy: 1.0204629831381102
Energy: 1.0910779632316578
Energy: 1.0204629831381102
Energy: 1.0508103825884851
Energy: 1.0044853657900616
Energy: 1.0774241932297437
Energy: 1.0044853657893704
Energy: 1.049369842127253
Energy: 1.0057414836712686
Energy: 1.090921448225356
Energy: 1.0057414836712686
Energy: 1.0778453023660897
Energy: 1.0068644643171705
Energy: 1.0501419383470694
Energy: 1.0068644643171705
Energy: 1.043779878175592
Energy: 1.0280477232630563
Energy: 1.0399813613588873
Energy: 1.028047723262365
Energy: 1.0493071665940834
Energy: 1.0305701674579153
Energy: 1.0371907258436894
Energy: 1.0305701674579153
Energy: 1.0494602291977337
Energy: 1.0075708403290504
Energy: 1.0483354501394537
Energy: 1.007570840327668
Energy: 1.036736492865016
Energy: 1.0274819646412021
Energy: 1.0426958563787707
Energy: 1.0274819646398197
Energy: 1.0370914840184142
Energy: 1.0465822040514987
Energy: 1.0371268567993694
Energy: 1.046582204050116
Energy: 0.9989500464530975
Energy: 1.0291612326901907
Energy: 1.03682740301642
Energy: 1.029161232690882

minimum gb energy = 0.9468396340816778 eV
minimum distance =  2.65429696791103 Angstroms
sigma value = 113


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

Energy: 0.01953089279263931
Energy: 0.13746128719906428
Energy: 1.3220442190857855
Energy: 0.020181219874274292
Energy: 0.14028719896724057
Energy: 0.1380700601191236
Energy: 0.13766278173111782
Energy: 0.1380700601191236
Energy: 0.13714696654015376
Energy: 0.13767390895331247
Energy: 0.02027345886364397
Energy: 0.13767390895278106
Energy: 0.13723045189171404
Energy: 0.13875427789463676
Energy: 0.02187764887245174
Energy: 0.13875427789410533
Energy: 0.13944927925045136
Energy: 0.13797967822936916
Energy: 0.13819623370298612
Energy: 0.13797967822936916
Energy: 0.020085430003861315
Energy: 0.13727121522086277
Energy: 0.13721951153182463
Energy: 0.13727121522086277

minimum gb energy = 0.01953089279263931 eV
minimum distance =  2.82980222919296 Angstroms
sigma value = 1