Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312585830688
cohesive_energy=4.013297914458148
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.012434277882138854
Energy: 0.012643505609696251
Energy: 0.41250492434182173
Energy: 0.012643505609696251
Energy: 0.012434277882138854
Energy: 0.012643505607238675
Energy: 0.01264350560626123
Energy: 2.653281911326435
Energy: 0.01264350561313127
Energy: 2.6532819113274124
Energy: 0.012643505608718806
Energy: 2.441155346764044
Energy: 0.41250492434478203
Energy: 0.01264350561313127
Energy: 0.012434277882138854
Energy: 0.012643505612153825
Energy: 0.41250492434232444
Energy: 0.01264350561265651
Energy: 0.012643505608718806
Energy: 2.6532819113259323
Energy: 0.01264350561165114
Energy: 2.653281911326435
Energy: 0.012643505606763916
Energy: 2.6532819113239774
Energy: 0.012434277882138854
Energy: 0.012643505608718806
Energy: 0.41250492434330194
Energy: 0.012643505608216121
Energy: 0.012434277882138854
Energy: 0.012643505604781098
Energy: 0.012643505603803656
Energy: 2.6528894025794187
Energy: 0.01264350561165114
Energy: 2.65328191132152
Energy: 0.012643505608216121
Energy: 2.6530501993588214

minimum gb energy = 0.012434277882138854 eV
minimum distance =  2.16803464833145 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2877251600545592
Energy: 1.3497215459468668
Energy: 1.221464690523597
Energy: 1.349721545948077
Energy: 1.2877251600557695
Energy: 1.3497215459468668
Energy: 1.2432057275386956
Energy: 1.3151834701418044
Energy: 1.2836079054563385
Energy: 1.3151834701418044
Energy: 1.2432057275374853
Energy: 1.3151834701418044
Energy: 1.129795089981027
Energy: 1.3159820569302445
Energy: 1.2841609437969916
Energy: 1.3159820569314542
Energy: 1.1297950899822373
Energy: 1.3159820569314542
Energy: 1.3104546698192765
Energy: 1.2801387429273108
Energy: 1.1333941602702264
Energy: 1.2801387429261009
Energy: 1.3104546698180661
Energy: 1.2801387429261009
Energy: 1.3059342497825956
Energy: 1.3382731760478106
Energy: 1.3098012034024733
Energy: 1.3382731760478106
Energy: 1.3059342497741253
Energy: 1.3382731760490205
Energy: 1.280831575740407
Energy: 1.3197842389352281
Energy: 1.1362484774028596
Energy: 1.3197842389352281
Energy: 1.280831575737987
Energy: 1.319784238934018
Energy: 1.2798189302191592
Energy: 1.314499563919272
Energy: 1.1355791463268408
Energy: 1.314499563921692
Energy: 1.2798189302227894
Energy: 1.314499563921692
Energy: 1.3274276203630258
Energy: 1.3394869516149812
Energy: 1.1331640615989893
Energy: 1.339486951613771
Energy: 1.3274276203630258
Energy: 1.3394869516149812
Energy: 1.3382523234950134
Energy: 1.2691387555351294
Energy: 1.1319141785944555
Energy: 1.2691387555351294
Energy: 1.3382523234950134
Energy: 1.2691387555363394
Energy: 1.280032445603427
Energy: 1.3134288548453255
Energy: 1.136632458155391
Energy: 1.3134288548453255
Energy: 1.280032445603427
Energy: 1.3134288548453255
Energy: 1.1300910963646156
Energy: 1.2866059206644385
Energy: 1.2415786103937845
Energy: 1.2866059206850087
Energy: 1.1300910963670352
Energy: 1.2866059209075438
Energy: 1.1345008091681699
Energy: 1.3378301434797257
Energy: 1.1344536844130588
Energy: 1.3378301434797257
Energy: 1.1345008091681699
Energy: 1.3378301434785156
Energy: 1.241423787530581
Energy: 1.2866059210780476
Energy: 1.2428893350178605
Energy: 1.286605921097408
Energy: 1.241423787530581
Energy: 1.2866059210913579
Energy: 1.1366866947401149
Energy: 1.3133429520399924
Energy: 1.280044558511565
Energy: 1.3133429520399924
Energy: 1.1366866947413248
Energy: 1.3133429520399924
Energy: 1.1320132183425744
Energy: 1.2702015933508257
Energy: 1.3372142549033692
Energy: 1.2702015933471953
Energy: 1.1320132183449945
Energy: 1.2702015933520354
Energy: 1.1332274836222653
Energy: 1.3397628390563496
Energy: 1.3272097493212187
Energy: 1.3397628390575596
Energy: 1.1332274836222653
Energy: 1.3397628390587697
Energy: 1.1355092553115307
Energy: 1.314528250650157
Energy: 1.278855943291912
Energy: 1.3145282506513671
Energy: 1.1355092553115307
Energy: 1.3145282506513671
Energy: 1.1359796726714313
Energy: 1.319825421716217
Energy: 1.2827039295219254
Energy: 1.3198254217174272
Energy: 1.1359796726714313
Energy: 1.3198254217174272
Energy: 1.309830035083368
Energy: 1.3383329927068697
Energy: 1.3045780934385534
Energy: 1.33833299270566
Energy: 1.309830035083368
Energy: 1.3383329927068697
Energy: 1.1320356132932166
Energy: 1.2875421428393945
Energy: 1.3108018236600025
Energy: 1.2875421428406046
Energy: 1.1320356132968468
Energy: 1.2875421428418143
Energy: 1.2835329004130747
Energy: 1.3159608458700256
Energy: 1.1297829800470247
Energy: 1.3159608458700256
Energy: 1.2835329004130747
Energy: 1.3159608458712357
Energy: 1.2808653332502034
Energy: 1.3138079892299654
Energy: 1.2431713181335016
Energy: 1.3138079892323855
Energy: 1.2808653332489932
Energy: 1.3138079892323855
Energy: 1.221464690519967
Energy: 1.3497215459468668
Energy: 1.2877251600581892
Energy: 1.349721545945657
Energy: 1.2214646905211768
Energy: 1.349721545945657

minimum gb energy = 1.1297829800470247 eV
minimum distance =  2.23356265470435 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.6928049809199774
Energy: 1.4081573478915361
Energy: 1.2396813696535602
Energy: 1.4081573478922245
Energy: 1.6928049809199774
Energy: 1.4081573478922245
Energy: 1.2517875396071654
Energy: 1.373631691429593
Energy: 1.2968788700586582
Energy: 1.37363169142684
Energy: 1.2517875396099185
Energy: 1.3736316914282163
Energy: 1.1761093149129493
Energy: 1.4042588956404192
Energy: 1.3813774711089761
Energy: 1.404258895642484
Energy: 1.176109314914326
Energy: 1.404258895642484
Energy: 1.2794757164811246
Energy: 1.3496964448315434
Energy: 1.4343668093045212
Energy: 1.3496964448308553
Energy: 1.2794757164776833
Energy: 1.3496964448308553
Energy: 1.2778629546376077
Energy: 1.3834993603622543
Energy: 1.392542464071862
Energy: 1.3834993603608778
Energy: 1.2778629546362315
Energy: 1.383499360361566
Energy: 1.2958944837590374
Energy: 1.3837885118315028
Energy: 1.1820214536303824
Energy: 1.3837885118335673
Energy: 1.2958944837755557
Energy: 1.3837885118328792
Energy: 1.295271516183549
Energy: 1.383081534634635
Energy: 1.3475160039172815
Energy: 1.383081534634635
Energy: 1.2952715161828612
Energy: 1.383081534633947
Energy: 1.2070317463191815
Energy: 1.3849221784656145
Energy: 1.3193424865538304
Energy: 1.3849221784649262
Energy: 1.2070317463191815
Energy: 1.3849221784649262
Energy: 1.3194874728139239
Energy: 1.354689672300683
Energy: 1.2963707367192736
Energy: 1.3546896722986184
Energy: 1.3194874728132358
Energy: 1.3546896722986184
Energy: 1.2494658303678394
Energy: 1.4038300215423254
Energy: 1.256830124696419
Energy: 1.4038300215423254
Energy: 1.2494658303678394
Energy: 1.4038300215423254
Energy: 1.250037842135812
Energy: 1.374264844171894
Energy: 1.2985890423321307
Energy: 1.374264844174647
Energy: 1.250037842137877
Energy: 1.374264844174647
Energy: 1.3792244934948243
Energy: 1.3856463709535913
Energy: 1.2711263492851244
Energy: 1.385646370952903
Energy: 1.3792244934948243
Energy: 1.3856463709535913
Energy: 1.442127455557076
Energy: 1.3595346528658518
Energy: 1.249821354017885
Energy: 1.3595346528637873
Energy: 1.442127455557076
Energy: 1.3595346528644756
Energy: 1.3177705072247625
Energy: 1.4039715310450323
Energy: 1.3078309350781572
Energy: 1.4039715310450323
Energy: 1.3177705072261392
Energy: 1.4039715310457206
Energy: 1.381975360323287
Energy: 1.389357343014745
Energy: 1.388855697003299
Energy: 1.3893573430154331
Energy: 1.381975360321222
Energy: 1.3893573430154331
Energy: 1.3805421207887942
Energy: 1.4054489006316806
Energy: 1.2793091696758503
Energy: 1.4054489006316806
Energy: 1.3805421207936122
Energy: 1.4054489006323687
Energy: 1.3945394143072214
Energy: 1.3833784728867844
Energy: 1.2547723863264164
Energy: 1.3833784728867844
Energy: 1.3945394143072214
Energy: 1.3833784728867844
Energy: 1.3928368280917938
Energy: 1.373141403726258
Energy: 1.3897754119163328
Energy: 1.3731414037276344
Energy: 1.3928368280917938
Energy: 1.3731414037276344
Energy: 1.1822099612062649
Energy: 1.3853640325602863
Energy: 1.3191965973042743
Energy: 1.3853640325602863
Energy: 1.1822099612062649
Energy: 1.3853640325595982
Energy: 1.328832232339215
Energy: 1.3512191889367173
Energy: 1.3881809599554054
Energy: 1.3512191889339644
Energy: 1.3288322323419681
Energy: 1.3512191889374057
Energy: 1.3794969086271867
Energy: 1.4046348754411395
Energy: 1.2265432766663922
Energy: 1.4046348754404512
Energy: 1.379496908627875
Energy: 1.4046348754404512
Energy: 1.250326872762647
Energy: 1.3785523138481552
Energy: 1.4469943033449992
Energy: 1.37855231385022
Energy: 1.250326872762647
Energy: 1.378552313849532
Energy: 1.2541079416564391
Energy: 1.3854396722696598
Energy: 1.3933978321273757
Energy: 1.3854396722696598
Energy: 1.2541079416571275
Energy: 1.3854396722696598
Energy: 1.4744276836191135
Energy: 1.3770321844418125
Energy: 1.2957660854203303
Energy: 1.3770321844411244
Energy: 1.4744276836191135
Energy: 1.3770321844404363
Energy: 1.2931157604812147
Energy: 1.3832103104328262
Energy: 1.3802455804171738
Energy: 1.3832103104321383
Energy: 1.2931157604812147
Energy: 1.3832103104328262
Energy: 1.3074940931692909
Energy: 1.4053981847875314
Energy: 1.232119112034427
Energy: 1.4053981847882198
Energy: 1.3074940931734207
Energy: 1.4053981847875314
Energy: 1.3066511016171436
Energy: 1.4049724989020234
Energy: 1.2004496631024637
Energy: 1.4049724989027117
Energy: 1.3066511016192082
Energy: 1.4049724989034
Energy: 1.296326702439048
Energy: 1.3831946469687575
Energy: 1.3797803324567532
Energy: 1.3831946469680692
Energy: 1.2963267024376715
Energy: 1.3831946469687575
Energy: 1.474558851522826
Energy: 1.3754250831695671
Energy: 1.2979408431174477
Energy: 1.3754250831695671
Energy: 1.4745588515235146
Energy: 1.3754250831695671
Energy: 1.2535824965049078
Energy: 1.3855048619716772
Energy: 1.3202018021870179
Energy: 1.3855048619703008
Energy: 1.2535824965042197
Energy: 1.3855048619703008
Energy: 1.250346611591397
Energy: 1.3785523138509082
Energy: 1.4471239641406608
Energy: 1.3785523138515963
Energy: 1.2503466115927737
Energy: 1.3785523138522848
Energy: 1.3794740484927392
Energy: 1.4045877032201894
Energy: 1.2263430914409577
Energy: 1.4045877032222538
Energy: 1.3794740484941157
Energy: 1.4045877032222538
Energy: 1.3296116981960922
Energy: 1.3498556773830255
Energy: 1.3888794550178882
Energy: 1.3498556773823374
Energy: 1.3296116981967803
Energy: 1.3498556773844022
Energy: 1.182210883991645
Energy: 1.385295303321732
Energy: 1.295054360135964
Energy: 1.38529530332242
Energy: 1.182210883991645
Energy: 1.3852953033231084
Energy: 1.394434194698706
Energy: 1.3748577552568093
Energy: 1.4633176020107341
Energy: 1.3748577552554326
Energy: 1.3944341946980177
Energy: 1.3748577552568093
Energy: 1.3986425869681443
Energy: 1.3832581930047345
Energy: 1.2541874230039094
Energy: 1.383258193004046
Energy: 1.39864258696608
Energy: 1.383258193004046
Energy: 1.3842243079234002
Energy: 1.4052130178679882
Energy: 1.2235694752449784
Energy: 1.4052130178693647
Energy: 1.3842243079247771
Energy: 1.405213017870053
Energy: 1.381467280436019
Energy: 1.3894732812095936
Energy: 1.3543057384545336
Energy: 1.3894732812109698
Energy: 1.381467280437396
Energy: 1.3894732812102817
Energy: 1.3176191896390625
Energy: 1.4039858470852857
Energy: 1.3073877793519046
Energy: 1.4039858470852857
Energy: 1.3176191896390625
Energy: 1.4039858470845976
Energy: 1.4422921678698972
Energy: 1.3542878220127346
Energy: 1.2532597511157169
Energy: 1.3542878220079169
Energy: 1.4422921678698972
Energy: 1.3542878220092933
Energy: 1.3792175451108948
Energy: 1.3856381005395921
Energy: 1.2199184705910104
Energy: 1.3856381005395921
Energy: 1.3792175451095183
Energy: 1.385638100538904

minimum gb energy = 1.1761093149129493 eV
minimum distance =  2.21998784734391 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.458634062646211
Energy: 1.425716671523147
Energy: 1.3698642142780082
Energy: 1.4257166715215523
Energy: 1.458634062646211
Energy: 1.4257166715215523
Energy: 1.3028891903405486
Energy: 1.4622449688230814
Energy: 1.5481019454386755
Energy: 1.4622603370617422
Energy: 1.3028891903405486
Energy: 1.462275928858931
Energy: 1.1841232602246634
Energy: 1.425289741892172
Energy: 1.535460423490723
Energy: 1.425289741892172
Energy: 1.1841232602246634
Energy: 1.425289741892172
Energy: 1.1954747229679155
Energy: 1.3658902841389533
Energy: 1.520744289457925
Energy: 1.3658902841405114
Energy: 1.1954747229679155
Energy: 1.3658902841389533
Energy: 1.1946669203380105
Energy: 1.3644526179070144
Energy: 1.5239199261297247
Energy: 1.364452617910204
Energy: 1.1946669203380105
Energy: 1.3644526179086092
Energy: 1.461614239518721
Energy: 1.3641890655797002
Energy: 1.5665177372850896
Energy: 1.3641890655797002
Energy: 1.4616142395203158
Energy: 1.3641890655924576
Energy: 1.460318535531125
Energy: 1.3676670403365592
Energy: 1.524638257946895
Energy: 1.367667040338154
Energy: 1.460318535531125
Energy: 1.3676670403397488
Energy: 1.1960016959265638
Energy: 1.365613704749749
Energy: 1.1763893147302502
Energy: 1.3656137047481542
Energy: 1.1960016959265638
Energy: 1.365613704749749
Energy: 1.4592201473256103
Energy: 1.38419787880631
Energy: 1.2072306839383848
Energy: 1.3841978788094995
Energy: 1.459220147317637
Energy: 1.3841978788094995
Energy: 1.1865281935466887
Energy: 1.4522925226904413
Energy: 1.1764473271372842
Energy: 1.4522925226888466
Energy: 1.186528193545094
Energy: 1.4522925226888466
Energy: 1.530130692364298
Energy: 1.3654090458511416
Energy: 1.52044999900511
Energy: 1.3654090458543313
Energy: 1.5301306923627034
Energy: 1.3654090458543313
Energy: 1.4602589978804543
Energy: 1.4256492116176698
Energy: 1.5683708841875952
Energy: 1.4256492116176698
Energy: 1.4602589978804543
Energy: 1.4256492116176698
Energy: 1.3373408668858753
Energy: 1.3847838220421047
Energy: 1.542138493500278
Energy: 1.3847838220389155
Energy: 1.3373408668842803
Energy: 1.3847838220405102
Energy: 1.186530039103245
Energy: 1.4255750982045545
Energy: 1.5341682656105788
Energy: 1.4255750982045545
Energy: 1.186530039103245
Energy: 1.4255750982045545
Energy: 1.1842082719872715
Energy: 1.4257072496574976
Energy: 1.5286088945135863
Energy: 1.425707249654308
Energy: 1.1842082719872715
Energy: 1.425707249654308
Energy: 1.1946643026619066
Energy: 1.3714976703402786
Energy: 1.5305168793037855
Energy: 1.3714976703450625
Energy: 1.1946643026619066
Energy: 1.3714976703498465
Energy: 1.4595002139295152
Energy: 1.4260941668916645
Energy: 1.5641536371913363
Energy: 1.4260941668932592
Energy: 1.4595002139327042
Energy: 1.4260941668932592
Energy: 1.4596871999163836
Energy: 1.3677110630644298
Energy: 1.5345720903428792
Energy: 1.3677110630644298
Energy: 1.4596871999243572
Energy: 1.367711063062835

minimum gb energy = 1.1763893147302502 eV
minimum distance =  2.20556330424403 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.566968767687685
Energy: 1.5466163267052935
Energy: 1.2871001724954925
Energy: 1.5466163267062394
Energy: 1.566968767687685
Energy: 1.5466163267052935
Energy: 1.2781019542777357
Energy: 1.4693463427661555
Energy: 1.4401875937133972
Energy: 1.4693463427642637
Energy: 1.2781019542767895
Energy: 1.4693463427661555
Energy: 1.2289934219948604
Energy: 1.4810298015084165
Energy: 1.3954543669068675
Energy: 1.4810298015074703
Energy: 1.2289934219939145
Energy: 1.4810298015074703
Energy: 1.2487607804640064
Energy: 1.4690234027733444
Energy: 1.3953043894144905
Energy: 1.4690234027742903
Energy: 1.2487607804640064
Energy: 1.4690234027742903
Energy: 1.309799000600767
Energy: 1.547805284134858
Energy: 1.5926264778298171
Energy: 1.5478052841339118
Energy: 1.3097990005998208
Energy: 1.5478052841339118
Energy: 1.5895676323351913
Energy: 1.5496771299775574
Energy: 1.30973482353578
Energy: 1.5496771299775574
Energy: 1.5895676323351913
Energy: 1.5496771299747196
Energy: 1.3965815468240934
Energy: 1.4697038118798371
Energy: 1.2486560341551147
Energy: 1.4697038118798371
Energy: 1.39658154678817
Energy: 1.4697038118807833
Energy: 1.3995306086315742
Energy: 1.480924609681225
Energy: 1.2290872106258108
Energy: 1.480924609680279
Energy: 1.3995306086334662
Energy: 1.480924609680279
Energy: 1.4392694364799652
Energy: 1.505512541528951
Energy: 1.2944914003148453
Energy: 1.505512541529897
Energy: 1.4392694364799652
Energy: 1.505512541529897
Energy: 1.3268854512703274
Energy: 1.5466163267052935
Energy: 1.566968767686739
Energy: 1.5466163267052935
Energy: 1.326885451276949
Energy: 1.5466163267052935
Energy: 1.4401875937162132
Energy: 1.4693463427642637
Energy: 1.307973835561493
Energy: 1.4693463427642637
Energy: 1.4401875937105595
Energy: 1.4693463427652098
Energy: 1.3954543669153807
Energy: 1.4810298015074703
Energy: 1.2289934219948604
Energy: 1.4810298015074703
Energy: 1.395454366909705
Energy: 1.4810298015074703
Energy: 1.3953043894135446
Energy: 1.4690234027733444
Energy: 1.2487607804640064
Energy: 1.4690234027752365
Energy: 1.3953043894126202
Energy: 1.4690234027742903
Energy: 1.5926264778298171
Energy: 1.547805284132966
Energy: 1.3097990005998208
Energy: 1.5478052841339118
Energy: 1.592626477828871
Energy: 1.547805284134858
Energy: 1.3097348235348338
Energy: 1.5496771299766112
Energy: 1.5413943068882496
Energy: 1.5496771299747196
Energy: 1.3097348235348338
Energy: 1.5496771299756653
Energy: 1.287072583065089
Energy: 1.4697038118807833
Energy: 1.3965815467598137
Energy: 1.4697038118817292
Energy: 1.2870725830641432
Energy: 1.4697038118817292
Energy: 1.2290872106258108
Energy: 1.480924609682171
Energy: 1.3995306086315742
Energy: 1.480924609681225
Energy: 1.2290872106258108
Energy: 1.480924609682171
Energy: 1.2944914003148453
Energy: 1.5055125415478694
Energy: 1.4392694364799652
Energy: 1.5055125415459776
Energy: 1.2944914003148453
Energy: 1.5055125415478694
Energy: 1.566968767686739
Energy: 1.5466163267062394
Energy: 1.326885451276949
Energy: 1.5466163267062394
Energy: 1.566968767686739
Energy: 1.5466163267052935
Energy: 1.3079738355605468
Energy: 1.4693463427671014
Energy: 1.4401875937152677
Energy: 1.4693463427661555
Energy: 1.307973835559601
Energy: 1.4693463427652098
Energy: 1.2289934219939145
Energy: 1.4810298015074703
Energy: 1.3954543669172728
Energy: 1.4810298015074703
Energy: 1.2289934219939145
Energy: 1.4810298015074703
Energy: 1.2487607804630603
Energy: 1.4690234027752365
Energy: 1.3953043894154367
Energy: 1.4690234027742903
Energy: 1.2487607804630603
Energy: 1.4690234027742903
Energy: 1.3097990005998208
Energy: 1.547805284132966
Energy: 1.592626477827925
Energy: 1.547805284134858
Energy: 1.3097990005988749
Energy: 1.547805284134858
Energy: 1.4798788498233633
Energy: 1.549677129978503
Energy: 1.30973482353578
Energy: 1.549677129978503
Energy: 1.4798788498214717
Energy: 1.5496771299775574
Energy: 1.3965815467380576
Energy: 1.4697038118817292
Energy: 1.3243439946251083
Energy: 1.4697038118817292
Energy: 1.3965815467465708
Energy: 1.4697038118817292
Energy: 1.39953060863252
Energy: 1.480924609680279
Energy: 1.2290872106258108
Energy: 1.480924609681225
Energy: 1.3995306086334662
Energy: 1.480924609681225
Energy: 1.4392694364790195
Energy: 1.5055125415469237
Energy: 1.2944914003138994
Energy: 1.5055125415469237
Energy: 1.4392694364790195
Energy: 1.5055125415459776
Energy: 1.3268854512854624
Energy: 1.5466163267052935
Energy: 1.566968767686739
Energy: 1.5466163267052935
Energy: 1.3268854512911161
Energy: 1.5466163267052935
Energy: 1.4401875937152677
Energy: 1.4693463427652098
Energy: 1.307973835561493
Energy: 1.4693463427652098
Energy: 1.4401875937152677
Energy: 1.4693463427652098
Energy: 1.3954543669220023
Energy: 1.4810298015074703
Energy: 1.2289934219948604
Energy: 1.4810298015074703
Energy: 1.3954543669201103
Energy: 1.4810298015074703

minimum gb energy = 1.2289934219939145 eV
minimum distance =  2.19814752881443 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.1959093971153247
Energy: 1.3744770324570448
Energy: 1.502686524613421
Energy: 1.3744770324570448
Energy: 1.1959093971153247
Energy: 1.3744770324572553
Energy: 1.1834215068934903
Energy: 1.375034549318767
Energy: 1.2248671277886725
Energy: 1.3750345493152913
Energy: 1.1834215068934903
Energy: 1.3750345493127638
Energy: 1.2121434123148025
Energy: 1.5130606568077873
Energy: 1.225093677586954
Energy: 1.5130606568070766
Energy: 1.2121434123148025
Energy: 1.5130606568066292
Energy: 1.1930135478423995
Energy: 1.37460432965118
Energy: 1.2102814764028682
Energy: 1.374604329651417
Energy: 1.1930135478423995
Energy: 1.3746043296500217
Energy: 1.2264861292208997
Energy: 1.3824222769158585
Energy: 1.211657033167955
Energy: 1.3824222769158585
Energy: 1.2264861292216107
Energy: 1.3824222769156214
Energy: 1.2099613184373366
Energy: 1.5265567286027726
Energy: 1.2247516262825182
Energy: 1.5265567286020618
Energy: 1.2099613184373366
Energy: 1.5265567286025357
Energy: 1.2246753673560773
Energy: 1.3429753880458604
Energy: 1.2099728797155194
Energy: 1.3429753880419373
Energy: 1.2246753673551556
Energy: 1.3429753880414632
Energy: 1.193502932307187
Energy: 1.3822852434728854
Energy: 1.2282475102042898
Energy: 1.3822852434740438
Energy: 1.1935029323065023
Energy: 1.3822852434742805
Energy: 1.2099648607781706
Energy: 1.3824380821194207
Energy: 1.2246356610684122
Energy: 1.3824380821194207
Energy: 1.2099648607786182
Energy: 1.3824380821180515
Energy: 1.2129727324491164
Energy: 1.4679735108402496
Energy: 1.2129782390631905
Energy: 1.4679735108395384
Energy: 1.2129727324495905
Energy: 1.4679735108395384
Energy: 1.2248239962562384
Energy: 1.3827106913239864
Energy: 1.2100320624899328
Energy: 1.3827106913235123
Energy: 1.224823996255791
Energy: 1.3827106913235123
Energy: 1.2280688637493984
Energy: 1.382241302982628
Energy: 1.1936973535559336
Energy: 1.3822413029831018
Energy: 1.2280688637503199
Energy: 1.382241302982628

minimum gb energy = 1.1834215068934903 eV
minimum distance =  2.22850680998573 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.610549069027047
Energy: 1.5736685676174509
Energy: 1.323642388582726
Energy: 1.5736685676161488
Energy: 1.610549069027047
Energy: 1.5736685676161488
Energy: 1.4356268792702611
Energy: 1.5056042020280198
Energy: 1.338304295052432
Energy: 1.5056042020280198
Energy: 1.435626879267657
Energy: 1.5056042020280198
Energy: 1.30005426240383
Energy: 1.526140039815113
Energy: 1.3181036510556154
Energy: 1.52614003981316
Energy: 1.300054262403179
Energy: 1.5261400398138112
Energy: 1.257120145575439
Energy: 1.4940764764130174
Energy: 1.2343188913878251
Energy: 1.4940764764110643
Energy: 1.2571201455780434
Energy: 1.4940764764117156
Energy: 1.2564586350542257
Energy: 1.4908200544866796
Energy: 1.234448317303073
Energy: 1.4908200544853776
Energy: 1.2564586350535747
Energy: 1.4908200544853776
Energy: 1.23888023976247
Energy: 1.4608709147812313
Energy: 1.3312227529666323
Energy: 1.4608709147831844
Energy: 1.2388802397631211
Energy: 1.4739173721456935
Energy: 1.494318321653737
Energy: 1.5201035455748306
Energy: 1.3255000536712036
Energy: 1.5201035455741794
Energy: 1.4943183216550389
Energy: 1.5201035455728775
Energy: 1.433807634317394
Energy: 1.49040540694137
Energy: 1.3507865524561897
Energy: 1.4904054069407189
Energy: 1.433807634318045
Energy: 1.4904054069407189
Energy: 1.4348564789246714
Energy: 1.518696344474176
Energy: 1.3289655860655838
Energy: 1.5186963444722226
Energy: 1.434856478994953
Energy: 1.5186963444735246
Energy: 1.4372709722777028
Energy: 1.5280679778005213
Energy: 1.2663412429208467
Energy: 1.5280679778005213
Energy: 1.4372709722777028
Energy: 1.528067977801172
Energy: 1.4854208383917138
Energy: 1.5096655609691079
Energy: 1.331700633546362
Energy: 1.5096655609691079
Energy: 1.4854208383943182
Energy: 1.5096655609678056
Energy: 1.3072913443216412
Energy: 1.4899394470444054
Energy: 1.3066568987090093
Energy: 1.4899394470450567
Energy: 1.307291344322943
Energy: 1.4899394470450567
Energy: 1.2427135563934868
Energy: 1.4464717764820818
Energy: 1.2398235368869106
Energy: 1.4464717764820818
Energy: 1.2427135563921845
Energy: 1.4464717764820818
Energy: 1.4530361400770078
Energy: 1.546433593726585
Energy: 1.242694036172475
Energy: 1.5464335937272358
Energy: 1.4530361400757057
Energy: 1.5464335937285378
Energy: 1.308804041838022
Energy: 1.512639237971782
Energy: 1.3668843558236408
Energy: 1.5126392379698288
Energy: 1.308804041838022
Energy: 1.5126392379711309
Energy: 1.375666197872201
Energy: 1.493149490292164
Energy: 1.2988428931118838
Energy: 1.4931494902908617
Energy: 1.3756661978708988
Energy: 1.4931494902915128
Energy: 1.4393740826821424
Energy: 1.5342098988976298
Energy: 1.3270600213505352
Energy: 1.534209898898281
Energy: 1.4393740826808405
Energy: 1.5342098988976298
Energy: 1.3096595333250425
Energy: 1.4490209406202996
Energy: 1.3213680644768642
Energy: 1.4490209406189976
Energy: 1.3096595333269956
Energy: 1.4490209406202996
Energy: 1.4346653416566735
Energy: 1.5573308791614975
Energy: 1.242727238056684
Energy: 1.5573308791627998
Energy: 1.4346653416553714
Energy: 1.5573308791608467
Energy: 1.2388208900602697
Energy: 1.5980435929632686
Energy: 1.2416101515634583
Energy: 1.598043592969128
Energy: 1.2388208900622226
Energy: 1.5980435929684769
Energy: 1.24336092506806
Energy: 1.557298312566334
Energy: 1.4346544521227949
Energy: 1.5572983125669853
Energy: 1.24336092506806
Energy: 1.5572983125669853
Energy: 1.321232064826994
Energy: 1.450870942172531
Energy: 1.309653126925208
Energy: 1.4508709421705779
Energy: 1.3212320648295683
Energy: 1.45087094217188
Energy: 1.3269725406553619
Energy: 1.5342122197288355
Energy: 1.439229745704881
Energy: 1.5342122197288355
Energy: 1.3269725406560129
Energy: 1.5342122197255803
Energy: 1.3055734959319103
Energy: 1.4941617119638606
Energy: 1.376016806581443
Energy: 1.4941617119599544
Energy: 1.3055734959325613
Energy: 1.4941617119606052
Energy: 1.3632639666236954
Energy: 1.5132706101796989
Energy: 1.308765924378862
Energy: 1.5132706101790478
Energy: 1.3632639666230444
Energy: 1.5132706101790478
Energy: 1.239978278478043
Energy: 1.5466739035995534
Energy: 1.453269125092453
Energy: 1.5466739036008557
Energy: 1.2399782784819493
Energy: 1.5466739035989023
Energy: 1.2415849855727359
Energy: 1.4433866019531432
Energy: 1.2427052587416727
Energy: 1.44338660195119
Energy: 1.2415849855707828
Energy: 1.443386601949888
Energy: 1.3005530057435286
Energy: 1.490156075056722
Energy: 1.3065971950435553
Energy: 1.490156075056071
Energy: 1.3005530057422265
Energy: 1.490156075056071
Energy: 1.3317370631340437
Energy: 1.509691864002209
Energy: 1.3606987041188219
Energy: 1.509691864004162
Energy: 1.3317370631340437
Energy: 1.509691864004813
Energy: 1.2663974926650754
Energy: 1.52756471472269
Energy: 1.4375389548876567
Energy: 1.527564714720737
Energy: 1.2663974926650754
Energy: 1.527564714721388
Energy: 1.334823185168578
Energy: 1.5186963444767798
Energy: 1.4308092093063203
Energy: 1.5186963444767798
Energy: 1.3348231851679269
Energy: 1.5186963444761288
Energy: 1.351450459554609
Energy: 1.4903516154903762
Energy: 1.4337461981006123
Energy: 1.4903516154897252
Energy: 1.351450459557864
Energy: 1.4903516154897252
Energy: 1.322186688826061
Energy: 1.5200984634189518
Energy: 1.6211830062028736
Energy: 1.5200984634183008
Energy: 1.322186688822806
Energy: 1.5200984634183008
Energy: 1.3219383573042682
Energy: 1.4439444802578372
Energy: 1.238866165288727
Energy: 1.443944480254582
Energy: 1.32193835730557
Energy: 1.4439444802552328
Energy: 1.2728206410603466
Energy: 1.490508240945035
Energy: 1.2564547604759306
Energy: 1.490508240943733
Energy: 1.2728206411469039
Energy: 1.490508240943733
Energy: 1.2351612763977042
Energy: 1.4939746185133493
Energy: 1.257125711155915
Energy: 1.4939746185133493
Energy: 1.2351612764003084
Energy: 1.493974618512698
Energy: 1.3193850063142405
Energy: 1.526369095119751
Energy: 1.3001653928586956
Energy: 1.5263690951191
Energy: 1.3193850063148915
Energy: 1.526369095119751
Energy: 1.3281974005203105
Energy: 1.5056042020215097
Energy: 1.4351097606681595
Energy: 1.5056042020241136
Energy: 1.3281974005203105
Energy: 1.5056042020241136
Energy: 1.4934257225636665
Energy: 1.5736685676161488
Energy: 1.610549069024443
Energy: 1.5736685676187527
Energy: 1.4934257225623644
Energy: 1.5736685676187527
Energy: 1.338304295051781
Energy: 1.5355137033638395
Energy: 1.4356268792728653
Energy: 1.5355137033638395
Energy: 1.338304295051781
Energy: 1.5355137033638395
Energy: 1.318103651048454
Energy: 1.5261400398118579
Energy: 1.300054262405132
Energy: 1.526140039814462
Energy: 1.3181036510497564
Energy: 1.5261400398138112
Energy: 1.2343188913897782
Energy: 1.4940764764130174
Energy: 1.2571201455773922
Energy: 1.4940764764130174
Energy: 1.2343188913891272
Energy: 1.4940764764130174
Energy: 1.234448317303073
Energy: 1.4908200544879817
Energy: 1.2564586350542257
Energy: 1.4908200544860286
Energy: 1.2344483173024219
Energy: 1.4908200544866796

minimum gb energy = 1.2343188913878251 eV
minimum distance =  2.18702742612801 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 1.3857547920467004
Energy: 1.4400669489259037
Energy: 1.2651509726989343
Energy: 1.4400669489259037
Energy: 1.385754792045218
Energy: 1.4400669489259037
Energy: 1.418566553383171
Energy: 1.4731969776883886
Energy: 1.152271558873008
Energy: 1.4731969776854583
Energy: 1.4185665533802072
Energy: 1.4731969776839764
Energy: 1.130882489666451
Energy: 1.4151053255208885
Energy: 1.270170813565629
Energy: 1.4151053255208885
Energy: 1.130882489666451
Energy: 1.4151053255208885
Energy: 1.1517509041687946
Energy: 1.4130194601680512
Energy: 1.2180944063738592
Energy: 1.4130194601695332
Energy: 1.1517509041687946
Energy: 1.4130194601695332
Energy: 1.152157682145219
Energy: 1.4445437542415724
Energy: 1.157190119559432
Energy: 1.4445437542430544
Energy: 1.152157682145219
Energy: 1.4445437542415724
Energy: 1.439288865156926
Energy: 1.4125070897742722
Energy: 1.131396605890146
Energy: 1.4125070897742722
Energy: 1.439288865155444
Energy: 1.4125070897727903
Energy: 1.438960520789764
Energy: 1.4127015327468295
Energy: 1.1322606973859786
Energy: 1.4127015327468295
Energy: 1.438960520788282
Energy: 1.4127015327453474
Energy: 1.152311710396746
Energy: 1.43958291435085
Energy: 1.2207027980719432
Energy: 1.439582914347886
Energy: 1.152311710396746
Energy: 1.439582914347886
Energy: 1.1515929647843617
Energy: 1.4137071956963914
Energy: 1.1566750315703516
Energy: 1.4137071956993552
Energy: 1.1515929647828798
Energy: 1.4137071956963914
Energy: 1.130849894818956
Energy: 1.4147608400376575
Energy: 1.2707824636517389
Energy: 1.4147608400376575
Energy: 1.1308498948204382
Energy: 1.4147608400376575
Energy: 1.4182921200896088
Energy: 1.4731969776869402
Energy: 1.2192267144971412
Energy: 1.4731969776854583
Energy: 1.4182921200896088
Energy: 1.4731969776854583
Energy: 1.385754792045218
Energy: 1.4400669489303497
Energy: 1.3010621019163697
Energy: 1.4400669489318316
Energy: 1.3857547920467004
Energy: 1.4400669489273858
Energy: 1.418566553386135
Energy: 1.4731969776839764
Energy: 1.1522715588715258
Energy: 1.4731969776869402
Energy: 1.4185665533846532
Energy: 1.4731969776824942
Energy: 1.130882489666451
Energy: 1.4151053255208885
Energy: 1.270170813565629
Energy: 1.4151053255208885
Energy: 1.130882489666451
Energy: 1.4151053255208885
Energy: 1.1517509041687946
Energy: 1.4130194601680512
Energy: 1.1574941644466068
Energy: 1.4130194601680512
Energy: 1.1517509041687946
Energy: 1.4130194601680512
Energy: 1.152157682145219
Energy: 1.4445437542400905
Energy: 1.15719011955054
Energy: 1.4445437542400905
Energy: 1.152157682145219
Energy: 1.4445437542430544
Energy: 1.439288865155444
Energy: 1.4125070897727903
Energy: 1.131396605890146
Energy: 1.4125070897742722
Energy: 1.439288865155444
Energy: 1.4125070897742722
Energy: 1.438960520789764
Energy: 1.4127015327468295
Energy: 1.1322606973859786
Energy: 1.4127015327483115
Energy: 1.438960520789764
Energy: 1.4127015327483115
Energy: 1.152311710396746
Energy: 1.439582914347886
Energy: 1.1575462718138272
Energy: 1.43958291435085
Energy: 1.152311710396746
Energy: 1.439582914347886

minimum gb energy = 1.130849894818956 eV
minimum distance =  2.1793656595829 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2541599535652
Energy: 1.379230725292059
Energy: 1.240736511154133
Energy: 1.379230725292059
Energy: 1.2541599535662855
Energy: 1.379230725292059
Energy: 1.732456664452785
Energy: 1.3264750432867187
Energy: 1.0703231934514004
Energy: 1.3264750432867187
Energy: 1.732456664452785
Energy: 1.3264750432867187
Energy: 1.2312617513616055
Energy: 1.312136059216796
Energy: 1.2055707849224695
Energy: 1.3121360592178815
Energy: 1.2312617513616055
Energy: 1.3121360592157105
Energy: 1.2667557614524887
Energy: 1.2985683675475035
Energy: 1.0692641967928667
Energy: 1.2985683675475035
Energy: 1.266755761451403
Energy: 1.2985683675485888
Energy: 1.066436083277826
Energy: 1.379163456460101
Energy: 1.0855574981417802
Energy: 1.379163456460101
Energy: 1.06643608327674
Energy: 1.379163456460101
Energy: 1.0786286028759735
Energy: 1.3649836107695041
Energy: 1.0805845050259582
Energy: 1.3649836107695041
Energy: 1.0786286028759735
Energy: 1.3649836107695041
Energy: 1.0783455666308683
Energy: 1.3961479176372302
Energy: 1.0763830782061823
Energy: 1.3961479176361447
Energy: 1.0783455666308683
Energy: 1.3961479176339735
Energy: 1.4832552988594547
Energy: 1.3754427440897141
Energy: 1.0928080580520516
Energy: 1.375442744092971
Energy: 1.4832552988616257
Energy: 1.3754427440918853
Energy: 1.481773185261159
Energy: 1.3730105138394944
Energy: 1.4643075469700786
Energy: 1.3730105138384088
Energy: 1.481773185261159
Energy: 1.3730105138394944
Energy: 1.0786767038794678
Energy: 1.3103681711351238
Energy: 1.0806731876785582
Energy: 1.3103681711383806
Energy: 1.0786767038794678
Energy: 1.3103681711383806
Energy: 1.0785690731157704
Energy: 1.3605302982894754
Energy: 1.0776520724670031
Energy: 1.3605302982916467
Energy: 1.0785690731168562
Energy: 1.3605302982905612
Energy: 1.066386725440041
Energy: 1.3752995177672476
Energy: 1.0810436502259917
Energy: 1.3752995177672476
Energy: 1.0663867254411266
Energy: 1.375299517768333
Energy: 1.4837563732630736
Energy: 1.2037767617272757
Energy: 1.0859318033093637
Energy: 1.203776761721848
Energy: 1.4837563732641594
Energy: 1.2037767617164201
Energy: 1.0716325394116246
Energy: 1.308971528605275
Energy: 1.0913187506115167
Energy: 1.3089715286085317
Energy: 1.071632539435458
Energy: 1.308971528605275
Energy: 1.7322703233201908
Energy: 1.3266320405016974
Energy: 1.075581621009209
Energy: 1.3266320405016974
Energy: 1.7322703233201908
Energy: 1.3266320405049543
Energy: 1.2433364567742875
Energy: 1.3752190078145905
Energy: 1.2976028058170626
Energy: 1.375219007813554
Energy: 1.243336456775373
Energy: 1.3752190078145905
Energy: 1.7482266341945871
Energy: 1.3244373387943362
Energy: 1.08594516906604
Energy: 1.3244373387943362
Energy: 1.748226634196758
Energy: 1.3244373387954218
Energy: 1.0714140560849128
Energy: 1.3097065771627794
Energy: 1.094797737378584
Energy: 1.3097065771627794
Energy: 1.0714140560013234
Energy: 1.3097065771595227
Energy: 1.2659642237570707
Energy: 1.3033529989533628
Energy: 1.075887923296631
Energy: 1.3033529989577053
Energy: 1.2659642237581563
Energy: 1.3033529989544486
Energy: 1.0664524824560724
Energy: 1.379316205816014
Energy: 1.0817655177132657
Energy: 1.3793162058149284
Energy: 1.066452482457158
Energy: 1.3793162058149284
Energy: 1.525618391572851
Energy: 1.36239580017681
Energy: 1.0686640573516388
Energy: 1.3623958001778953
Energy: 1.5256183915717652
Energy: 1.3623958001778953
Energy: 1.0788880794634284
Energy: 1.3987967469757656
Energy: 1.072572333830707
Energy: 1.3987967469725089
Energy: 1.0788880794634284
Energy: 1.3987967469725089
Energy: 1.4863779396497898
Energy: 1.3723679162736138
Energy: 1.0933509846024623
Energy: 1.3723679162746996
Energy: 1.486377939648704
Energy: 1.3723679162736138
Energy: 1.0669068202990695
Energy: 1.379764470831489
Energy: 1.4632642167870598
Energy: 1.3797644708336598
Energy: 1.0669068202990695
Energy: 1.379764470831489
Energy: 1.0794364263660425
Energy: 1.3052943718923775
Energy: 1.071841991779462
Energy: 1.305294371893463
Energy: 1.0794364263649574
Energy: 1.305294371891292
Energy: 1.0791777322740896
Energy: 1.3606887251940492
Energy: 1.0722222637500867
Energy: 1.3606887251918776
Energy: 1.0791777322740896
Energy: 1.3606887251929634

minimum gb energy = 1.066386725440041 eV
minimum distance =  2.2355531956655 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.5516002507364324
Energy: 1.3424830265582826
Energy: 1.0496928474605218
Energy: 1.3424830265617052
Energy: 1.5516002507364324
Energy: 1.342483026559994
Energy: 1.7143004136246538
Energy: 1.2051418659881008
Energy: 0.9950122394769555
Energy: 1.2051418659863895
Energy: 1.7143004136246538
Energy: 1.2051418659863895
Energy: 1.0696233485625894
Energy: 1.2645970503812782
Energy: 1.0202592124214405
Energy: 1.2645970503821338
Energy: 1.0696233485651563
Energy: 1.2645970503821338
Energy: 1.507974506118985
Energy: 1.1785659450878023
Energy: 0.9932845764045566
Energy: 1.1785659450878023
Energy: 1.5079745061181293
Energy: 1.1785659450903692
Energy: 1.1122324776583523
Energy: 1.1890870237721176
Energy: 1.004829654648565
Energy: 1.189087023773829
Energy: 1.1122324776592076
Energy: 1.1890870237704065
Energy: 1.303900564857025
Energy: 1.2443008723985343
Energy: 0.9980846025990692
Energy: 1.2443008723985343
Energy: 1.3039005648578808
Energy: 1.2443008723976785
Energy: 0.9952885290194139
Energy: 1.252806466717536
Energy: 0.9947918230379925
Energy: 1.2528064667166805
Energy: 0.9952885290202695
Energy: 1.252806466717536
Energy: 1.353859412793788
Energy: 1.254115291956397
Energy: 1.015476155096546
Energy: 1.254115291956397
Energy: 1.3538594127929324
Energy: 1.254115291956397
Energy: 1.0109118061052769
Energy: 1.1911119386655407
Energy: 1.2864133550746575
Energy: 1.191111938664685
Energy: 1.0109118061052769
Energy: 1.1911119386663962
Energy: 1.3133220803068324
Energy: 1.252689159160831
Energy: 1.3101936688185831
Energy: 1.2526891591616864
Energy: 1.3133220803076884
Energy: 1.2526891591616864
Energy: 1.3128803211042896
Energy: 1.2527849120360965
Energy: 1.3045277973622396
Energy: 1.2527849120352412
Energy: 1.312880321103434
Energy: 1.2527849120369525
Energy: 1.004881933516536
Energy: 1.2526160590473556
Energy: 1.0139244657062387
Energy: 1.252616059043933
Energy: 1.0048819335173915
Energy: 1.252616059044789
Energy: 1.0104139909826975
Energy: 1.2451603499485309
Energy: 1.285218036545157
Energy: 1.2451603499485309
Energy: 1.010413990981842
Energy: 1.245160349947675
Energy: 0.9928904829021525
Energy: 1.252406335846691
Energy: 0.9936051091528193
Energy: 1.2524063358458353
Energy: 0.992890482901297
Energy: 1.2524063358458353
Energy: 1.3093927014657698
Energy: 1.2453288386597212
Energy: 0.9940721057971248
Energy: 1.2453288386605765
Energy: 1.309392701467481
Energy: 1.2453288386605765
Energy: 0.9969307470409643
Energy: 1.2527528022484093
Energy: 0.9928208563893829
Energy: 1.2527528022475536
Energy: 0.9969307470392531
Energy: 1.2527528022484093
Energy: 1.291808560249839
Energy: 1.273079633723497
Energy: 1.0056962871587494
Energy: 1.273079633723497
Energy: 1.291808560248983
Energy: 1.2730796337243528
Energy: 1.015070805355153
Energy: 1.2533200592839924
Energy: 1.006410477026763
Energy: 1.2533200592848481
Energy: 1.015070805350875
Energy: 1.2533200592848481
Energy: 1.7199468510187643
Energy: 1.2052062920666724
Energy: 0.9947231618153807
Energy: 1.205206292067528
Energy: 1.7199468510213312
Energy: 1.205206292067528
Energy: 1.3040258671761926
Energy: 1.252807692596951
Energy: 1.3123702201139826
Energy: 1.252807692598662
Energy: 1.3040258672172622
Energy: 1.2528076925978064
Energy: 1.7094042141090011
Energy: 1.204899416545882
Energy: 1.0056126208183649
Energy: 1.204899416545882
Energy: 1.7094042141081454
Energy: 1.2048994165450262
Energy: 1.0185241992409908
Energy: 1.2530202171136724
Energy: 1.0087897919848836
Energy: 1.2530202171145284
Energy: 1.018524199256392
Energy: 1.2530202171145284
Energy: 1.5260741472399935
Energy: 1.178338607763864
Energy: 0.994138268103057
Energy: 1.178338607761297
Energy: 1.5260741472425605
Energy: 1.1783386077621525
Energy: 0.9943883429095085
Energy: 1.244252944792887
Energy: 1.1548277242799294
Energy: 1.2442529447937427
Energy: 0.9943883429129311
Energy: 1.2442529447937427
Energy: 1.1546873863832627
Energy: 1.244249072740122
Energy: 0.998284408660854
Energy: 1.2442490727409776
Energy: 1.1546873863824074
Energy: 1.244249072740122
Energy: 0.9927781876109804
Energy: 1.177647615599076
Energy: 1.1416698523826798
Energy: 1.177647615599076
Energy: 0.9927781876109804
Energy: 1.1776476155982205
Energy: 1.3518951795756189
Energy: 1.2526048468736628
Energy: 1.0168356857363685
Energy: 1.252604846875374
Energy: 1.3518951795756189
Energy: 1.252604846875374
Energy: 1.0052687928303585
Energy: 1.2562860650416299
Energy: 1.5002142440780908
Energy: 1.2562860650399186
Energy: 1.0052687928295028
Energy: 1.2562860650399186
Energy: 1.3120892512322226
Energy: 1.2532918452819282
Energy: 1.3044860936156764
Energy: 1.2532918452810724
Energy: 1.3120892512322226
Energy: 1.2532918452819282
Energy: 0.9928622014217788
Energy: 1.2210194815684536
Energy: 1.3049920603030516
Energy: 1.221019481567598
Energy: 0.9928622014217788
Energy: 1.2210194815684536
Energy: 1.0048538412592989
Energy: 1.2525493535685892
Energy: 1.0149785150976862
Energy: 1.2525493535685892
Energy: 1.00485384126101
Energy: 1.2525493535685892
Energy: 1.0049994000346099
Energy: 1.2441024071251094
Energy: 1.2877954477671565
Energy: 1.244102407124254
Energy: 1.0049994000337932
Energy: 1.2441024071251094
Energy: 0.9947736907559143
Energy: 1.25263628036047
Energy: 0.9968700756277205
Energy: 1.25263628036047
Energy: 0.9947736907559143
Energy: 1.25263628036047

minimum gb energy = 0.9927781876109804 eV
minimum distance =  2.23068274990296 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.2949354991387807
Energy: 1.1323617703417166
Energy: 1.1880205003805773
Energy: 1.1323617703441184
Energy: 1.2949354991411826
Energy: 1.1323617703441184
Energy: 1.8579690289183175
Energy: 1.0361341174855767
Energy: 0.8922517699823924
Energy: 1.0361341174825742
Energy: 1.857969028918918
Energy: 1.0361341174867778
Energy: 1.2753488638285184
Energy: 1.130346496240634
Energy: 1.0413194236549195
Energy: 1.130346496240634
Energy: 1.2753488638249155
Energy: 1.1303464962394334
Energy: 1.7166989986124679
Energy: 1.0231640416156356
Energy: 0.8924263645636044
Energy: 1.0231640416132335
Energy: 1.7166989986118677
Energy: 1.0231640416138341
Energy: 0.9477058033329887
Energy: 1.1049306547073723
Energy: 0.8997192054572881
Energy: 1.1049306547085735
Energy: 0.9477058033498021
Energy: 1.1049306547079727
Energy: 1.376608916874832
Energy: 1.0756424284314197
Energy: 0.8925565951723456
Energy: 1.0756424284284174
Energy: 1.3766089168754325
Energy: 1.075642428433221
Energy: 0.9297114140739399
Energy: 1.0892640040564463
Energy: 0.8902340702818908
Energy: 1.0892640040558457
Energy: 0.9297114140757413
Energy: 1.0892640040564463
Energy: 1.2357548444178614
Energy: 1.078135919497303
Energy: 0.9004755083879525
Energy: 1.0781359194955016
Energy: 1.2357548444154594
Energy: 1.078135919496102
Energy: 0.9119878375004441
Energy: 1.1050705412051525
Energy: 1.0660514046090985
Energy: 1.105070541204552
Energy: 0.9119878375010445
Energy: 1.1050705412063535
Energy: 1.0938832817613087
Energy: 1.1088781889446147
Energy: 1.1866721682976027
Energy: 1.108878188945215
Energy: 1.0938832817607083
Energy: 1.108878188945215
Energy: 0.90636653671507
Energy: 1.089039535316857
Energy: 1.1075417642341172
Energy: 1.0890395353162563
Energy: 0.906366536716271
Energy: 1.0890395353156557
Energy: 1.402480521938536
Energy: 1.1238968185604559
Energy: 1.1298773742136285
Energy: 1.1238968185610563
Energy: 1.402480521939737
Energy: 1.1238968185610563
Energy: 1.0989346883868085
Energy: 1.1058971324035478
Energy: 1.330761570454793
Energy: 1.1058971324059497
Energy: 1.0989346883868085
Energy: 1.1058971324059497
Energy: 1.1289947317102533
Energy: 1.1238947485005817
Energy: 1.3968483835615633
Energy: 1.123894748501783
Energy: 1.1289947317108535
Energy: 1.1238947485011823
Energy: 1.105415417479
Energy: 1.0820527336159542
Energy: 1.4146018210577251
Energy: 1.0820527336135524
Energy: 1.105415417480201
Energy: 1.0820527336147536
Energy: 1.1000448415810549
Energy: 1.1249146957970086
Energy: 1.1369054213144756
Energy: 1.1249146957952072
Energy: 1.1000448415822561
Energy: 1.1249146957952072
Energy: 1.0978249331475374
Energy: 1.1052275203397106
Energy: 1.329185642707009
Energy: 1.1052275203379092
Energy: 1.0978249331493388
Energy: 1.1052275203421127
Energy: 0.8905401315124435
Energy: 1.1242097793623034
Energy: 1.106434643974927
Energy: 1.1242097793617027
Energy: 0.8905401315124435
Energy: 1.1242097793617027
Energy: 1.1072546575028857
Energy: 1.1030379160719663
Energy: 1.09485079039667
Energy: 1.103037916072567
Energy: 1.1072546575040865
Energy: 1.1030379160719663
Energy: 0.8986812459491137
Energy: 1.1244549408195894
Energy: 0.9008985023953932
Energy: 1.12445494082019
Energy: 0.8986812459473122
Energy: 1.1244549408207902
Energy: 1.0988479260165298
Energy: 1.1041084914281987
Energy: 1.0671094111079462
Energy: 1.1041084914318016
Energy: 1.09884792601713
Energy: 1.104108491432402
Energy: 0.9131462975113492
Energy: 1.1240223761878447
Energy: 0.8928196976872445
Energy: 1.1240223761860433
Energy: 0.9131462975107486
Energy: 1.124022376185443
Energy: 1.3850770756636213
Energy: 1.1160566922257626
Energy: 0.8898770710508415
Energy: 1.1160566922263633
Energy: 1.385077075663021
Energy: 1.116056692226964
Energy: 0.9329004755313045
Energy: 1.1247368340104045
Energy: 0.8927400322274166
Energy: 1.1247368340080026
Energy: 0.9329004755301035
Energy: 1.1247368340092037
Energy: 1.383412368802524
Energy: 1.1050849203124606
Energy: 1.059349403530319
Energy: 1.1050849203124606
Energy: 1.3834123688019235
Energy: 1.1050849203130608
Energy: 1.2541562554016379
Energy: 1.1240546719743185
Energy: 0.8965893201989139
Energy: 1.1240546719833255
Energy: 1.2541562554016379
Energy: 1.124054671973718
Energy: 1.8593060548036773
Energy: 1.053055539181791
Energy: 0.8900696733302564
Energy: 1.05305553918059
Energy: 1.8593060548030766
Energy: 1.0530555391793892
Energy: 1.151943540294502
Energy: 1.1236599496508393
Energy: 1.1370375360424334
Energy: 1.1236599496496384
Energy: 1.1519435403011073
Energy: 1.1236599496508393
Energy: 1.5344945768009828
Energy: 1.095038783619674
Energy: 0.9919695414176805
Energy: 1.0950387836190734
Energy: 1.5344945767979805
Energy: 1.095038783619674
Energy: 1.1200608598288746
Energy: 1.1238137892264342
Energy: 1.1141095411607898
Energy: 1.1238137892270343
Energy: 1.1200608595473582
Energy: 1.1238137892264342
Energy: 1.5408781309979458
Energy: 1.0241603561706818
Energy: 0.8902859481776432
Energy: 1.0241603561712824
Energy: 1.5408781309973452
Energy: 1.0241603561718828
Energy: 0.919714360027396
Energy: 1.108039570970283
Energy: 1.122754974079627
Energy: 1.108039570972685
Energy: 0.9197143600249942
Energy: 1.1080395709732858
Energy: 1.2377974123477906
Energy: 1.0750492048300249
Energy: 0.8987325322985564
Energy: 1.0750492048288243
Energy: 1.23779741234659
Energy: 1.0750492048288243
Energy: 0.9099279582193038
Energy: 1.0782198034991846
Energy: 1.4167824669836757
Energy: 1.0782198034997847
Energy: 0.9099279582187034
Energy: 1.0782198034997847
Energy: 1.4168464435161023
Energy: 1.078199043022037
Energy: 0.9118620328145426
Energy: 1.078199043022037
Energy: 1.4168464435185042
Energy: 1.0781990430232378
Energy: 0.8984104318643303
Energy: 1.0754347942363618
Energy: 1.2368125812464745
Energy: 1.0754347942309574
Energy: 0.898410431862529
Energy: 1.0754347942315579
Energy: 1.1227020621202213
Energy: 1.108285604748322
Energy: 0.9311939983581564
Energy: 1.1082856047453198
Energy: 1.122702062120822
Energy: 1.1082856047459202
Energy: 0.8903786198310834
Energy: 1.0235001059807198
Energy: 1.5404907614762369
Energy: 1.0235001059801192
Energy: 0.8903786198310834
Energy: 1.0235001059789184
Energy: 1.1141095411619906
Energy: 1.1235056954091491
Energy: 1.2540991075965466
Energy: 1.1235056954103502
Energy: 1.1141095411619906
Energy: 1.1235056954085487
Energy: 1.1020542695211832
Energy: 1.0950187324330014
Energy: 1.5343490362001724
Energy: 1.0950187324342022
Energy: 1.1020542695241857
Energy: 1.0950187324336016
Energy: 1.1353528424189323
Energy: 1.124167754502647
Energy: 1.1506676051611584
Energy: 1.1241677545038478
Energy: 1.1353528424171309
Energy: 1.1241677545038478
Energy: 0.890048681008826
Energy: 1.051978519406607
Energy: 1.8588158332953764
Energy: 1.051978519407207
Energy: 0.8900486810076248
Energy: 1.0519785194084084
Energy: 0.8966547335323656
Energy: 1.1241844362690803
Energy: 1.1241407755410575
Energy: 1.12418443626848
Energy: 0.896654733532966
Energy: 1.1241844362690803
Energy: 1.1022732153196066
Energy: 1.104851049676102
Energy: 1.3864956727261355
Energy: 1.1048510496749009
Energy: 1.102273215321408
Energy: 1.1048510496749009
Energy: 0.8924291385546581
Energy: 1.1242469400386423
Energy: 0.9314481920412138
Energy: 1.1242469400374413
Energy: 0.8924291385546581
Energy: 1.1242469400392427
Energy: 0.8899192747786873
Energy: 1.1160566922251625
Energy: 1.3863043166557603
Energy: 1.1160566922239612
Energy: 0.8899192747786873
Energy: 1.116056692223361
Energy: 0.8928331181736165
Energy: 1.1241786096337567
Energy: 0.9098004511331325
Energy: 1.1241786096349577
Energy: 0.8928331181718151
Energy: 1.1241786096343576

minimum gb energy = 0.8898770710508415 eV
minimum distance =  2.23358234296866 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.3448909171182947
Energy: 0.29161400613400684
Energy: 1.0477098879581805
Energy: 0.2916140061324107
Energy: 0.3448909171182947
Energy: 0.2916140061324107
Energy: 0.27562513492729673
Energy: 0.7104618078928967
Energy: 0.7027419310866012
Energy: 0.7104618078924863
Energy: 0.27562513492649876
Energy: 0.7104618078924863
Energy: 0.34489091711749664
Energy: 0.29161400613400684
Energy: 1.04770988805525
Energy: 0.2916140061324107
Energy: 0.3448909171182947
Energy: 0.2916140061320002
Energy: 0.27562513492649876
Energy: 0.7104618078928967
Energy: 0.7027398071480828
Energy: 0.7104618078916881
Energy: 0.2756251349269092
Energy: 0.7104618078916881
Energy: 0.3448909171182947
Energy: 0.29161400613400684
Energy: 1.3068662085051288
Energy: 0.29161400613279836
Energy: 0.3448909171182947
Energy: 0.2916140061324107
Energy: 0.27562513492649876
Energy: 0.7104618078928967
Energy: 0.7027412383075761
Energy: 0.7104618078924863
Energy: 0.2756251349269092
Energy: 0.7104618078920986
Energy: 0.3448909171179071
Energy: 0.2916140061344173
Energy: 1.7519548465938597
Energy: 0.29161400613279836
Energy: 0.3448909171179071
Energy: 0.29161400613279836

minimum gb energy = 0.27562513492649876 eV
minimum distance =  2.40398872493456 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.4215776418984456
Energy: 1.124498331637079
Energy: 1.2451071489550731
Energy: 1.124498331636533
Energy: 1.4215776418946224
Energy: 1.1244983316359864
Energy: 1.8246599932182077
Energy: 0.8863752495451521
Energy: 0.8746616646059577
Energy: 0.8863752495467904
Energy: 1.8246599932192997
Energy: 0.8863752495473366
Energy: 1.4067366226081184
Energy: 1.1054233075067692
Energy: 1.0573006249377725
Energy: 1.1054233075067692
Energy: 1.4067366226042952
Energy: 1.1054233075067692
Energy: 1.5321754220180526
Energy: 1.0142958738787795
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Energy: 1.0672641557259495
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Energy: 1.0570910780957694
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Energy: 1.0570910780946772
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Energy: 0.8681022027871134
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Energy: 1.663022715213374
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Energy: 0.8699113201351322
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Energy: 1.0954590410185598
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Energy: 0.8728014776541769
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Energy: 1.1043432538085611
Energy: 1.0959423031444073
Energy: 1.3679340374020938
Energy: 1.088764503157275
Energy: 0.8572901647881732
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Energy: 1.3679340374015474
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Energy: 1.3772184443675985
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Energy: 0.8746683394940042
Energy: 1.0957014776680605
Energy: 1.3772184443675985
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Energy: 1.3769360537203121
Energy: 1.0896829897632454
Energy: 1.1027260837343316
Energy: 1.0896829897648836
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Energy: 1.0896829897648836
Energy: 1.3981983701016116
Energy: 1.0959242021721693
Energy: 0.8631632147035726
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Energy: 1.3981983701016116
Energy: 1.0959242021727154
Energy: 1.6635713258239908
Energy: 1.0923039438169124
Energy: 0.8646089317145019
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Energy: 1.663571325824537
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Energy: 1.3769002293980905
Energy: 1.0950958884281115
Energy: 1.0998606165167955
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Energy: 0.8748276698288694
Energy: 1.0827807931792734
Energy: 1.3769878285227155
Energy: 1.0827807931792734
Energy: 1.1044481530014967
Energy: 1.0865270877425293
Energy: 0.8545320470433911
Energy: 1.0865270877419835
Energy: 1.104448153002589
Energy: 1.0865270877425293
Energy: 1.3671698515595636
Energy: 1.0954923784178676
Energy: 0.8711507601196021
Energy: 1.0954923784156834
Energy: 1.3671698515584714
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Energy: 1.0867819723539138
Energy: 1.0734962171202656
Energy: 1.1088878706046457
Energy: 1.0734962171197193
Energy: 1.0867819723539138
Energy: 1.0734962171202656
Energy: 1.0880803222331696
Energy: 1.0805685192714758
Energy: 0.8799393816514887
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Energy: 1.0880803222331696
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Energy: 1.0761061712191233
Energy: 1.104545628166742
Energy: 1.0761061712207618
Energy: 0.8779262732440796
Energy: 1.076106171217485
Energy: 1.082275357594397
Energy: 1.0920025702277778
Energy: 1.0957835265459228
Energy: 1.0920025702266858
Energy: 1.0822753575933048
Energy: 1.0920025702266858
Energy: 0.8699532551887014
Energy: 1.0466318590237684
Energy: 1.3869483364761201
Energy: 1.0466318590248609
Energy: 0.8699532551897937
Energy: 1.0466318590243144
Energy: 0.8725179708759175
Energy: 1.0809025888270685
Energy: 1.111385367751601
Energy: 1.080902588828707
Energy: 0.8725179708770099
Energy: 1.080902588828707
Energy: 0.8653529329471802
Energy: 1.0566458716711495
Energy: 1.383951488254944
Energy: 1.0566458716706035
Energy: 0.8653529329471802
Energy: 1.0566458716782494
Energy: 0.8763634857174204
Energy: 1.0988415965039462
Energy: 1.3897110599349858
Energy: 1.0988415965034004
Energy: 0.8763634857174204
Energy: 1.0988415965028542
Energy: 0.8768433546237756
Energy: 0.8865747708083814
Energy: 1.5291169576416612
Energy: 0.8865747708072892
Energy: 0.8768433546215911
Energy: 0.8865747708051047
Energy: 0.868850553531685
Energy: 1.1104102178073403
Energy: 1.4108621609857117
Energy: 1.1104102178089788
Energy: 0.8688505535305928
Energy: 1.1104102178089788
Energy: 0.8654830670452575
Energy: 0.9667571334860353
Energy: 1.5357934973765166
Energy: 0.9667571334860353
Energy: 0.8654830670419806
Energy: 0.9667571334871277
Energy: 0.8679167229528102
Energy: 1.09856412918407
Energy: 1.3918949745433908
Energy: 1.0985641291829777
Energy: 0.8679167229522641
Energy: 1.0985641291829777
Energy: 0.877236447327919
Energy: 0.8722583113012009
Energy: 1.534240180534708
Energy: 0.8722583113012009
Energy: 0.8772364473268267
Energy: 0.8722583113012009
Energy: 0.8598095912120436
Energy: 1.0809267758216943
Energy: 1.1114410969588133
Energy: 1.0809267758216943
Energy: 0.8598095912087669
Energy: 1.0809267758216943
Energy: 0.8732470388587564
Energy: 1.0487260942053858
Energy: 1.2612442948203988
Energy: 1.0487260942059318
Energy: 0.8732470388560258
Energy: 1.048726094206478
Energy: 1.1136217697103434
Energy: 1.071515922665426
Energy: 1.095174011306269
Energy: 1.0715159226637878
Energy: 1.1136217697108897
Energy: 1.0715159226637878

minimum gb energy = 0.8545320470433911 eV
minimum distance =  2.25862055139036 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.4027079315977804
Energy: 1.2643605794759407
Energy: 1.090086838695827
Energy: 1.2643605794759407
Energy: 1.4027079315977804
Energy: 1.264360579475191
Energy: 1.685627712738367
Energy: 0.9981998118594263
Energy: 0.9788880441532375
Energy: 0.9981998118609254
Energy: 1.685627712738367
Energy: 0.9981998118631742
Energy: 1.3166010968194928
Energy: 1.2575660074555166
Energy: 0.998364353364979
Energy: 1.2575660074540176
Energy: 1.3166010968209918
Energy: 1.2575660074540176
Energy: 1.2698959289130485
Energy: 0.9766697125857741
Energy: 0.9786640264694817
Energy: 0.9766697125865236
Energy: 1.2698959287894407
Energy: 0.9766697125872732
Energy: 1.005893845524439
Energy: 1.2173483083759946
Energy: 1.0788895957359554
Energy: 1.2173483083752448
Energy: 1.0058938455251887
Energy: 1.2173483083752448
Energy: 1.117136763694691
Energy: 1.2004785062720578
Energy: 0.9706083965089483
Energy: 1.200478506273557
Energy: 1.1171367636954406
Energy: 1.2004785062728074
Energy: 0.982918978749137
Energy: 1.2223999426146024
Energy: 1.1303028956155226
Energy: 1.2223999426123537
Energy: 0.982918978750636
Energy: 1.2223999426123537
Energy: 0.9629949201747574
Energy: 1.1943912979032993
Energy: 0.9935232170601983
Energy: 1.1943912979047984
Energy: 0.9629949201747574
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Energy: 1.1016176095963641
Energy: 0.9724843945343077
Energy: 1.101617609604609
Energy: 0.982326235256344
Energy: 1.2225501670093708
Energy: 1.2920079326646323
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Energy: 0.9823262352570936
Energy: 1.2225501670086214
Energy: 0.979038785655993
Energy: 1.1062752442640027
Energy: 1.508166384812082
Energy: 1.1062752442647523
Energy: 0.9790387856574922
Energy: 1.1062752442378025
Energy: 0.9687898899836213
Energy: 1.2433313182953973
Energy: 1.3800816359363361
Energy: 1.2433313182946477
Energy: 0.9687898899828716
Energy: 1.2433313182946477
Energy: 0.9722316700938068
Energy: 1.2336422281037707
Energy: 1.5784260789667142
Energy: 1.2336422281037707
Energy: 0.9722316700945564
Energy: 1.2336422281022716
Energy: 0.9783087258687838
Energy: 1.2233604268574023
Energy: 1.2916960373063882
Energy: 1.223360426858152
Energy: 0.9783087258687838
Energy: 1.223360426858152
Energy: 0.9792348787169531
Energy: 1.261984014301977
Energy: 1.27223070779252
Energy: 1.2619840143027266
Energy: 0.9792348787169531
Energy: 1.2619840143027266
Energy: 0.9730398072078065
Energy: 1.2433234944144096
Energy: 0.9937156644784312
Energy: 1.2433234944136597
Energy: 0.9730398072085561
Energy: 1.2433234944136597
Energy: 0.9721827545232358
Energy: 1.1998600570609042
Energy: 1.219308444737397
Energy: 1.1998600570623692
Energy: 0.9721827545232358
Energy: 1.1998600570623692
Energy: 1.26850971530278
Energy: 1.222855818954182
Energy: 0.9706506524178113
Energy: 1.2228558189534326
Energy: 1.2685097153035294
Energy: 1.222855818954182
Energy: 1.2688839866932404
Energy: 1.2457737527755153
Energy: 0.9608687947124013
Energy: 1.2457737527755153
Energy: 1.2688839866932404
Energy: 1.2457737527755153
Energy: 1.285612255629788
Energy: 1.2433836636238003
Energy: 0.9787151458068123
Energy: 1.2433836636245499
Energy: 1.2856122556320368
Energy: 1.2433836636238003
Energy: 1.2854171378218928
Energy: 1.222875151023204
Energy: 1.2223567169858103
Energy: 1.222875151023204
Energy: 1.2854171378226424
Energy: 1.222875151023204
Energy: 1.6705567837911888
Energy: 1.233157529426333
Energy: 0.9688412422102172
Energy: 1.2331575294248343
Energy: 1.6705567837911888
Energy: 1.2331575294248343
Energy: 1.670432734624657
Energy: 1.2332736854741229
Energy: 0.9689375984677141
Energy: 1.2332736854741229
Energy: 1.6704327346254064
Energy: 1.2332736854741229
Energy: 1.2854376020915526
Energy: 1.2228485011365449
Energy: 1.3035444570230204
Energy: 1.2228485011365449
Energy: 1.285437602090803
Energy: 1.2228485011365449
Energy: 1.2855000138705537
Energy: 1.2433191208947756
Energy: 0.9787091675111274
Energy: 1.2433191208947756
Energy: 1.285500013871303
Energy: 1.2433191208947756
Energy: 1.2688186116332152
Energy: 1.2455305144925495
Energy: 0.9610021256767415
Energy: 1.245530514493265
Energy: 1.2688186116347142
Energy: 1.245530514493265
Energy: 1.2685725112110078
Energy: 1.2228706588742277
Energy: 0.9706793140219996
Energy: 1.2228706588742277
Energy: 1.2685725112102582
Energy: 1.2228706588742277
Energy: 0.9723617114570721
Energy: 1.200668292015619
Energy: 1.2907361290099906
Energy: 1.2006682920141198
Energy: 0.9723617114563226
Energy: 1.200668292015619
Energy: 0.9730688743007361
Energy: 1.243348020903239
Energy: 0.9937561835895606
Energy: 1.243348020903239
Energy: 0.9730688743014857
Energy: 1.243348020903239
Energy: 0.9794706004237982
Energy: 1.261984014301977
Energy: 1.2710320702259619
Energy: 1.261984014301977
Energy: 0.9794706004245477
Energy: 1.2619840143027266
Energy: 0.9797408094704889
Energy: 1.22304666359004
Energy: 1.2861887224591355
Energy: 1.2230466635907897
Energy: 0.9797408094704889
Energy: 1.22304666359004
Energy: 0.972285461138685
Energy: 1.233652382393042
Energy: 1.6753808126944951
Energy: 1.2336523823937917
Energy: 0.9722854611394346
Energy: 1.2336523823937917
Energy: 0.968500081707048
Energy: 1.2431983786722487
Energy: 1.3802610231461363
Energy: 1.2431983786722487
Energy: 0.9685000817107957
Energy: 1.243198378672998
Energy: 0.9800714750549172
Energy: 1.1039380217847456
Energy: 1.5081087756149132
Energy: 1.1039380217809978
Energy: 0.9800714750549172
Energy: 1.1039380217869943
Energy: 0.9823262352570936
Energy: 1.2226412257310897
Energy: 1.2928149028479108
Energy: 1.22264122573034
Energy: 0.982326235256344
Energy: 1.2226412257310897
Energy: 0.9724903438628849
Energy: 1.0991706067718532
Energy: 1.498004581867857
Energy: 1.0991706067688547
Energy: 0.972490343861386
Energy: 1.0991706067756009
Energy: 0.9630738334205589
Energy: 1.1964210295774367
Energy: 0.9935463973252839
Energy: 1.1964210295766873
Energy: 0.9630738334205589
Energy: 1.1964210295774367
Energy: 0.9829514538919439
Energy: 1.2222202323903166
Energy: 1.130328845351735
Energy: 1.2222202323888176
Energy: 0.9829514538926933
Energy: 1.222220232388068

minimum gb energy = 0.9608687947124013 eV
minimum distance =  2.22140863076811 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.6626918997116389
Energy: 1.3668680971146983
Energy: 1.4519928271928249
Energy: 1.3668680971146983
Energy: 1.6626918997125595
Energy: 1.3668680971146983
Energy: 1.8119847519670111
Energy: 1.0754247280820484
Energy: 1.0485707578222616
Energy: 1.0754247280792861
Energy: 1.8119847519679317
Energy: 1.0754247280792861
Energy: 1.2261832514112523
Energy: 1.357724129172081
Energy: 1.3638275509178166
Energy: 1.357724129172081
Energy: 1.2261832514112523
Energy: 1.357724129172081
Energy: 1.3539216535689023
Energy: 1.120211771539928
Energy: 1.0556977735200213
Energy: 1.1202117715371662
Energy: 1.3539216535689023
Energy: 1.1202117715371662
Energy: 1.163679216515502
Energy: 1.3558041520339688
Energy: 1.2555598309519218
Energy: 1.3558041520330482
Energy: 1.163679216515502
Energy: 1.3558041520339688
Energy: 1.1356173850652185
Energy: 1.3289449285832073
Energy: 1.1428753565037302
Energy: 1.3289449285850488
Energy: 1.1356173850642979
Energy: 1.3289449285841277
Energy: 1.0544921163620133
Energy: 1.2763666265528821
Energy: 1.3747944715702403
Energy: 1.2763666265528821
Energy: 1.0544921163620133
Energy: 1.2763666265510407
Energy: 1.1692228337520654
Energy: 1.3303200037318441
Energy: 1.2053771073611477
Energy: 1.3303200037327647
Energy: 1.169222833753907
Energy: 1.3303200037327647
Energy: 1.0519018755515694
Energy: 1.2772721189331162
Energy: 1.4803461699512337
Energy: 1.2772721189331162
Energy: 1.0519018755515694
Energy: 1.2772721189331162
Energy: 1.0346584291341687
Energy: 1.3304521655050892
Energy: 1.4539840261455423
Energy: 1.3304521655050892
Energy: 1.0346584291341687
Energy: 1.3304521655050892
Energy: 1.0404973169317038
Energy: 1.2979377721284706
Energy: 1.5463498460119982
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Energy: 1.0404973169317038
Energy: 1.2979377721275498
Energy: 1.1445771753533749
Energy: 1.3300598291011974
Energy: 1.2055534337773914
Energy: 1.3300598291030385
Energy: 1.1445771753542957
Energy: 1.3300598291039591
Energy: 1.142630882828533
Energy: 1.1269110874125092
Energy: 1.4399250945023805
Energy: 1.1269110874161923
Energy: 1.142630882829454
Energy: 1.1269110874152715
Energy: 1.1422833114130106
Energy: 1.3315337680679011
Energy: 1.142480087199908
Energy: 1.3315337680669803
Energy: 1.1422833114130106
Energy: 1.3315337680669803
Energy: 1.141766899411031
Energy: 1.3307657249561637
Energy: 1.1361030773002883
Energy: 1.3307657249561637
Energy: 1.1417668994119516
Energy: 1.3307657249561637
Energy: 1.5459895510830364
Energy: 1.2531468113263284
Energy: 1.055802554061471
Energy: 1.2531468113217252
Energy: 1.5459895510839572
Energy: 1.2531468113235664
Energy: 1.5477384114040165
Energy: 1.3301405262589494
Energy: 1.3478657797367055
Energy: 1.3301405262589494
Energy: 1.5477384114049373
Energy: 1.3301405262589494
Energy: 1.5825901853085502
Energy: 1.3060397221104463
Energy: 1.0404315134395197
Energy: 1.3060397221122877
Energy: 1.5825901853076294
Energy: 1.3060397221122877
Energy: 1.5839018977412493
Energy: 1.3503728864514948
Energy: 1.0432905390749043
Energy: 1.3503728864514948
Energy: 1.5839018977412493
Energy: 1.350372886450574
Energy: 1.5459260950022642
Energy: 1.296416311665605
Energy: 1.0486305921591743
Energy: 1.2964163116646843
Energy: 1.5459260950031848
Energy: 1.2964163116646843
Energy: 1.5476059740986945
Energy: 1.3734109567139816
Energy: 1.060151668106093
Energy: 1.3734109567158228
Energy: 1.5476059740986945
Energy: 1.3734109567158228
Energy: 1.142654440675898
Energy: 1.3310474113408108
Energy: 1.1359101719527636
Energy: 1.33104741133989
Energy: 1.1426544406768187
Energy: 1.33104741133989
Energy: 1.1418605355677227
Energy: 1.334431452708646
Energy: 1.1416588438185735
Energy: 1.334431452708646
Energy: 1.1418605355677227
Energy: 1.334431452708646
Energy: 1.1449932990841287
Energy: 1.3457021683253032
Energy: 1.1455871935521098
Energy: 1.3457021683225412
Energy: 1.1449932990841287
Energy: 1.3457021683262242
Energy: 1.1423963151732797
Energy: 1.373213778607731
Energy: 1.207079022269719
Energy: 1.373213778604969
Energy: 1.1423963151732797
Energy: 1.3732137786058896
Energy: 1.0428546157989764
Energy: 1.3323115504959286
Energy: 1.4814641712841656
Energy: 1.33231155049777
Energy: 1.042854615799897
Energy: 1.33231155049777
Energy: 1.040719118175626
Energy: 1.3361929521478022
Energy: 1.4530884960251644
Energy: 1.3361929521496436
Energy: 1.040719118175626
Energy: 1.3361929521496436
Energy: 1.0465040864017587
Energy: 1.3351123694650884
Energy: 1.4125000852847196
Energy: 1.335112369468771
Energy: 1.0465040864026793
Energy: 1.3351123694678504
Energy: 1.1695281685807049
Energy: 1.3303820319313229
Energy: 1.2071531075044537
Energy: 1.3303820319331643
Energy: 1.1695281685816254
Energy: 1.3303820319313229
Energy: 1.053994763283772
Energy: 1.190612532070764
Energy: 1.3558969462148955
Energy: 1.190612532073526
Energy: 1.053994763283772
Energy: 1.190612532072605
Energy: 1.048178626192872
Energy: 1.3244486782991416
Energy: 1.1423488779731352
Energy: 1.3244486782973002
Energy: 1.0481786261919512
Energy: 1.3244486782973002

minimum gb energy = 1.0346584291341687 eV
minimum distance =  2.22435236675738 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.2138116403580963
Energy: 1.4804415380878613
Energy: 1.5978586434228856
Energy: 1.4804415380890261
Energy: 1.2138116403580963
Energy: 1.4804415380902185
Energy: 1.4241574494009288
Energy: 1.2158920881837962
Energy: 1.1295372952394873
Energy: 1.2158920881826043
Energy: 1.4241574494009288
Energy: 1.2158920881826043
Energy: 1.1448043024707806
Energy: 1.471696015647255
Energy: 1.3417350586378287
Energy: 1.471696015648447
Energy: 1.1448043024695884
Energy: 1.471696015647255
Energy: 1.1581599531877442
Energy: 1.1518466119370505
Energy: 1.1330351301422321
Energy: 1.1518466119358581
Energy: 1.1581599531877442
Energy: 1.1518466119370505
Energy: 1.1294083016329852
Energy: 1.1577561689523703
Energy: 1.1402446849392656
Energy: 1.1577561689523703
Energy: 1.1294083016317933
Energy: 1.1577561689499862
Energy: 1.1464161820280034
Energy: 1.4570015388771382
Energy: 1.1324083969284788
Energy: 1.457001538875946
Energy: 1.1464161820256193
Energy: 1.4570015388771382
Energy: 1.1438353435613586
Energy: 1.3334141974662501
Energy: 1.4228079036633956
Energy: 1.3334141974662501
Energy: 1.1438353435613586
Energy: 1.333414197463866
Energy: 1.1444583572609892
Energy: 1.4654987178901229
Energy: 1.1943782223684838
Energy: 1.4654987178901229
Energy: 1.1444583572609892
Energy: 1.4654987178889307
Energy: 1.1294965845712486
Energy: 1.1989136914783205
Energy: 1.4197069389447197
Energy: 1.1989136914795127
Energy: 1.1294965845724405
Energy: 1.1989136914795127
Energy: 1.1499899014385255
Energy: 1.4569793413485181
Energy: 1.1292278812910992
Energy: 1.4569793413485181
Energy: 1.1499899014373607
Energy: 1.456979341346134
Energy: 1.1435289912494353
Energy: 1.1467737525315642
Energy: 1.1396431284661226
Energy: 1.1467737525136825
Energy: 1.1435289912494353
Energy: 1.1467737524636417
Energy: 1.1299275393793244
Energy: 1.3235212557033433
Energy: 1.129313857458391
Energy: 1.3235212557045355
Energy: 1.1299275393805164
Energy: 1.3235212557033433
Energy: 1.1295338224315659
Energy: 1.4573133772771163
Energy: 1.1951224967095797
Energy: 1.457313377274732
Energy: 1.1295338224303737
Energy: 1.457313377274732
Energy: 1.409171927220248
Energy: 1.321348767923009
Energy: 1.1427619285466413
Energy: 1.3213487679206246
Energy: 1.409171927220248
Energy: 1.3213487679218168
Energy: 1.664224789492671
Energy: 1.4642831441966102
Energy: 1.1428251296111145
Energy: 1.4642831441978021
Energy: 1.664224789492671
Energy: 1.4642831441978021
Energy: 1.1300081938177744
Energy: 1.4884960493051766
Energy: 1.1294693763540318
Energy: 1.4884960493159054
Energy: 1.1300081938177744
Energy: 1.4884960493027926
Energy: 1.1297906643968818
Energy: 1.3342691228688797
Energy: 1.1427763121016388
Energy: 1.3342691228676875
Energy: 1.1297906643968818
Energy: 1.3342691228676875
Energy: 1.1439881020029594
Energy: 1.5008679337026276
Energy: 1.1444893991161293
Energy: 1.5008679337050117
Energy: 1.1439881020029594
Energy: 1.3468814656258365
Energy: 1.142746101571473
Energy: 1.3342012832848156
Energy: 1.1297957213028662
Energy: 1.3342012832872
Energy: 1.142746101571473
Energy: 1.3342012832860075
Energy: 1.12950559537797
Energy: 1.4882068563568807
Energy: 1.129948919287207
Energy: 1.4882068563580726
Energy: 1.129505595379162
Energy: 1.4882068563568807
Energy: 1.1431728909155867
Energy: 1.4642169021658322
Energy: 1.6638389270259302
Energy: 1.4642169021658322
Energy: 1.143172890921547
Energy: 1.4642169021670244
Energy: 1.1424778173342658
Energy: 1.336923994875764
Energy: 1.4094549949724338
Energy: 1.3227572113583137
Energy: 1.1424778173342658
Energy: 1.336923994875764
Energy: 1.164331464110902
Energy: 1.4573858785842237
Energy: 1.1295371119474362
Energy: 1.457385878585416
Energy: 1.164331464110902
Energy: 1.457385878585416
Energy: 1.129260476749673
Energy: 1.3249337569251676
Energy: 1.1299042422187187
Energy: 1.3249337569251676
Energy: 1.129260476749673
Energy: 1.3249337569251676

minimum gb energy = 1.1292278812910992 eV
minimum distance =  2.22587198458313 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.2507985191673323
Energy: 1.2508342501276188
Energy: 1.6150845287658318
Energy: 1.2508342501276188
Energy: 1.2507985191673323
Energy: 1.2508342501293046
Energy: 1.2803265998811786
Energy: 1.253081049943325
Energy: 1.2526379837215431
Energy: 1.253081049943325
Energy: 1.2803265998811786
Energy: 1.2530810499450107
Energy: 1.2718252902203502
Energy: 1.2689353545696607
Energy: 1.4517706285075864
Energy: 1.2689353545696607
Energy: 1.2718252902203502
Energy: 1.2689353545696607
Energy: 1.2681571852043354
Energy: 1.2668849617167128
Energy: 1.2520378520379372
Energy: 1.266884961715027
Energy: 1.2681571852043354
Energy: 1.2668849617167128
Energy: 1.2530356026382312
Energy: 1.270259258864843
Energy: 1.5206489654887794
Energy: 1.270259258863157
Energy: 1.2530356026382312
Energy: 1.270259258863157
Energy: 1.2573886352665435
Energy: 1.2510980520499762
Energy: 1.2353362938818009
Energy: 1.2510980520516624
Energy: 1.2573886352682295
Energy: 1.2510980520516624
Energy: 1.2597115662603098
Energy: 1.3871191109978822
Energy: 1.279577779056768
Energy: 1.3871191109978822
Energy: 1.2597115662603098
Energy: 1.3871191109978822
Energy: 1.2594649337017625
Energy: 1.3667317895518347
Energy: 1.2518823805902584
Energy: 1.3667317895518347
Energy: 1.2594649337017625
Energy: 1.3667317895518347
Energy: 1.2530238192199783
Energy: 1.2676379945900567
Energy: 1.3449578591949025
Energy: 1.2676379945900567
Energy: 1.2530238192199783
Energy: 1.2676379945883707
Energy: 1.235576698236037
Energy: 1.225090416144722
Energy: 1.2533512985274973
Energy: 1.225090416144722
Energy: 1.2355766982343508
Energy: 1.225090416146408
Energy: 1.2362540054348814
Energy: 1.4687217271435786
Energy: 1.2547362696432
Energy: 1.4687217271418929
Energy: 1.2362540054348814
Energy: 1.4687217271435786
Energy: 1.2639987315551329
Energy: 1.2660820560872268
Energy: 1.2555891102371777
Energy: 1.2660820560889128
Energy: 1.2639987315551329
Energy: 1.2660820560872268
Energy: 1.2530650033744624
Energy: 1.3682398011349601
Energy: 1.2568681539067563
Energy: 1.3682398011349601
Energy: 1.2530650033744624
Energy: 1.3682398011349601
Energy: 1.2583372465705023
Energy: 1.266800710853103
Energy: 1.2533075061473047
Energy: 1.266800710853103
Energy: 1.2583372465705023
Energy: 1.2668007108547887
Energy: 1.2611563241566877
Energy: 1.4812086562908995
Energy: 1.2354928546626793
Energy: 1.4812086562908995
Energy: 1.2611563241566877
Energy: 1.4812086562908995
Energy: 1.2569688683779459
Energy: 1.470249749280978
Energy: 1.237416563290607
Energy: 1.47024974911921
Energy: 1.2569688683762597
Energy: 1.4702497493214008
Energy: 1.2557786584245962
Energy: 1.2665008137741691
Energy: 1.2645687218134434
Energy: 1.2665008137741691
Energy: 1.255778658426282
Energy: 1.2665008137741691

minimum gb energy = 1.225090416144722 eV
minimum distance =  2.22768887967966 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.6969381017983614
Energy: 1.6922017463525068
Energy: 1.3991564532297556
Energy: 1.6922017463538086
Energy: 1.6969381017944554
Energy: 1.6922017463531578
Energy: 1.5269295574848563
Energy: 1.301352959614116
Energy: 1.2877547957014428
Energy: 1.301352959614767
Energy: 1.5269295574829032
Energy: 1.3013529596258346
Energy: 1.288578090297425
Energy: 1.3498945862029506
Energy: 1.318543417679572
Energy: 1.3498945861977425
Energy: 1.2885780902961232
Energy: 1.349894586150898
Energy: 1.3271085375982
Energy: 1.572257077473148
Energy: 1.335236413063429
Energy: 1.57225707747445
Energy: 1.3271085375825753
Energy: 1.572257077473148
Energy: 1.2901481969401314
Energy: 1.34844595966035
Energy: 1.5331716812359912
Energy: 1.348445959661001
Energy: 1.2901481969381783
Energy: 1.3484459596616523
Energy: 1.3549170716601577
Energy: 1.573821861377713
Energy: 1.3554954033721944
Energy: 1.573821861376411
Energy: 1.3549170716621106
Energy: 1.573821861377713
Energy: 1.286606016130068
Energy: 1.3807090498309234
Energy: 1.5240452678865068
Energy: 1.3807090498315744
Energy: 1.286606016128766
Energy: 1.3807090498296215
Energy: 1.615534297336013
Energy: 1.4312690121545522
Energy: 1.290333457204558
Energy: 1.43126901215325
Energy: 1.615534297336013
Energy: 1.4312690121545522
Energy: 1.3602926170157694
Energy: 1.639842329437242
Energy: 1.311279820194503
Energy: 1.6398423294385438
Energy: 1.3602926170170715
Energy: 1.639842329437242
Energy: 1.6159345291610558
Energy: 1.3482816997547562
Energy: 1.2870909839765603
Energy: 1.3482816997586624
Energy: 1.6159345291610558
Energy: 1.348281699756709
Energy: 1.3316118905059937
Energy: 1.6380243048634697
Energy: 1.3371035701286305
Energy: 1.6380243048621677
Energy: 1.3316118905072956
Energy: 1.6380243048634697
Energy: 1.321874287110774
Energy: 1.576038150923816
Energy: 1.286820234552172
Energy: 1.576038150923816
Energy: 1.321874287110774
Energy: 1.5760381509257688
Energy: 1.2918693080165422
Energy: 1.4328045818646389
Energy: 1.6814238863990636
Energy: 1.4328045818600816
Energy: 1.291869308013938
Energy: 1.43280458186529
Energy: 1.3025491580815944
Energy: 1.5578962845517204
Energy: 1.6820857539981058
Energy: 1.5578962845849227
Energy: 1.3025491580835473
Energy: 1.5578962845816675
Energy: 1.3016911760310228
Energy: 1.64769966916521
Energy: 1.3408610292371668
Energy: 1.647699669165861
Energy: 1.3016911760284189
Energy: 1.647699669165861
Energy: 1.3342433766174178
Energy: 1.662133663086993
Energy: 1.286914230101223
Energy: 1.6621336630804826
Energy: 1.3342433766174178
Energy: 1.6621336630804826
Energy: 1.3283037721887203
Energy: 1.6645242905776845
Energy: 1.299387715284232
Energy: 1.6645242905776845
Energy: 1.3283037721919755
Energy: 1.6645242905783357
Energy: 1.6708844504849056
Energy: 1.534498407587426
Energy: 1.3103061748346796
Energy: 1.5344984075744348
Energy: 1.6708844504836033
Energy: 1.5344984075692267
Energy: 1.6676097119049276
Energy: 1.538238196476783
Energy: 1.2870622179473188
Energy: 1.538238196476783
Energy: 1.6676097119042765
Energy: 1.538238196476783
Energy: 1.2903021258850083
Energy: 1.6056654894049576
Energy: 1.2878344749173491
Energy: 1.6056654894121187
Energy: 1.290302125885659
Energy: 1.6056654894121187
Energy: 1.2870846795012874
Energy: 1.537845084485065
Energy: 1.5047194446327916
Energy: 1.5378450844876692
Energy: 1.287084679499334
Energy: 1.5378450844883202
Energy: 1.3102591160280295
Energy: 1.531289697532738
Energy: 1.6711779047788056
Energy: 1.5312896975366441
Energy: 1.3102591160267274
Energy: 1.531289697532738
Energy: 1.3033078446334858
Energy: 1.664483871323989
Energy: 1.3288917263839612
Energy: 1.66448387132464
Energy: 1.3033078446302306
Energy: 1.66448387132464
Energy: 1.2869617480781104
Energy: 1.636046494158797
Energy: 1.333004467375605
Energy: 1.6360464941594484
Energy: 1.2869617480781104
Energy: 1.636046494158797
Energy: 1.3343311062449936
Energy: 1.647660838763967
Energy: 1.2918981967715957
Energy: 1.647660838766571
Energy: 1.3343311062488998
Energy: 1.6476608387652691
Energy: 1.6822105145308395
Energy: 1.5535082242349296
Energy: 1.3026250489511604
Energy: 1.5535082242329765
Energy: 1.6822105145314905
Energy: 1.553508224344894
Energy: 1.6812982858558436
Energy: 1.4329702832017674
Energy: 1.29194756132884
Energy: 1.4329702832017674
Energy: 1.6812982858558436
Energy: 1.4329702831998146
Energy: 1.2867402547353806
Energy: 1.573563231645888
Energy: 1.3212719670625037
Energy: 1.573563231643284
Energy: 1.2867402547334272
Energy: 1.5735632316445862
Energy: 1.3372024773465259
Energy: 1.6375686197235626
Energy: 1.3311023725547741
Energy: 1.6375686197222605
Energy: 1.3372024773458746
Energy: 1.6375686197209585
Energy: 1.2872688416299896
Energy: 1.3482816997593134
Energy: 1.6158714169741737
Energy: 1.3482816997619174
Energy: 1.287268841629368
Energy: 1.3482816997593134
Energy: 1.3105462217883905
Energy: 1.6403501976313963
Energy: 1.360371167726666
Energy: 1.6403501976333494
Energy: 1.3105462217877393
Energy: 1.6403501976333494
Energy: 1.2900869984017336
Energy: 1.4329057631794246
Energy: 1.6158443252092813
Energy: 1.4329057631794246
Energy: 1.2900869984030354
Energy: 1.4329057631800757
Energy: 1.5237772527286033
Energy: 1.3800050528358507
Energy: 1.2866557121726532
Energy: 1.3800050528299916
Energy: 1.5237772527286033
Energy: 1.3800050528319447
Energy: 1.3562835434443437
Energy: 1.5749144516369726
Energy: 1.356627765323287
Energy: 1.5749144516356708
Energy: 1.3562835434462965
Energy: 1.574914451638926
Energy: 1.5333801527820463
Energy: 1.348445959661001
Energy: 1.2917291477249684
Energy: 1.3484459596649072
Energy: 1.5333801527820463
Energy: 1.3484459596642562
Energy: 1.3351256036387555
Energy: 1.568107053477494
Energy: 1.323636298824092
Energy: 1.5681070534768429
Energy: 1.3351256036400574
Energy: 1.5681070534787958
Energy: 1.3282676381855194
Energy: 1.3462649759049736
Energy: 1.2885792324093859
Energy: 1.3462649757364462
Energy: 1.3282676381920295
Energy: 1.3462649756225755
Energy: 1.2876695651991712
Energy: 1.3060406801665436
Energy: 1.527987862709064
Energy: 1.306040680163318
Energy: 1.2876695651985202
Energy: 1.306040680180866
Energy: 1.544925292615885
Energy: 1.6922017463544596
Energy: 1.6969381017944554
Energy: 1.6922017463538086
Energy: 1.544925292614583
Energy: 1.6922017463544596
Energy: 1.2877547957027449
Energy: 1.3013529596388553
Energy: 1.5269295574848563
Energy: 1.301352959638204
Energy: 1.2877547957007918
Energy: 1.301352959590028
Energy: 1.3185434205057422
Energy: 1.3498945861847218
Energy: 1.288578090297425
Energy: 1.3498945861905813
Energy: 1.3185434216835696
Energy: 1.3498945861860239
Energy: 1.335236413063429
Energy: 1.5722570774751012
Energy: 1.3271085375636955
Energy: 1.572257077476403
Energy: 1.3352364130660332
Energy: 1.5722570774751012
Energy: 1.5331716812385954
Energy: 1.3484459596655585
Energy: 1.2901481969401314
Energy: 1.3484459596681624
Energy: 1.5331716812346892
Energy: 1.3484459596668603

minimum gb energy = 1.286606016128766 eV
minimum distance =  2.21203545881343 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.5531273301389719
Energy: 1.7191481782101876
Energy: 1.5512447684386612
Energy: 1.7191481782144278
Energy: 1.5531273301379118
Energy: 1.7191481782144278
Energy: 1.4063108285781836
Energy: 1.3349546964777617
Energy: 1.3275413115648331
Energy: 1.3349546964745818
Energy: 1.4063108285760635
Energy: 1.3349546964745818
Energy: 1.316805259982989
Energy: 1.515963479794869
Energy: 1.4941548534272948
Energy: 1.5159634798054693
Energy: 1.3168052599819289
Energy: 1.5159634798033492
Energy: 1.3801476698787556
Energy: 1.4927303305192183
Energy: 1.5104161407514989
Energy: 1.4927303305223985
Energy: 1.3801476698745156
Energy: 1.4927303305223985
Energy: 1.2814275896143599
Energy: 1.3745428636579038
Energy: 1.3837535830765957
Energy: 1.3745428636579038
Energy: 1.2814275896143599
Energy: 1.3745428636568435
Energy: 1.5283418608712747
Energy: 1.4819186912841935
Energy: 1.5108175981048404
Energy: 1.4819186912216518
Energy: 1.5283418608712747
Energy: 1.4819186912863136
Energy: 1.3140846640750712
Energy: 1.489443546364704
Energy: 1.3402944695349803
Energy: 1.489443546627495
Energy: 1.314084664074011
Energy: 1.4894435465279006
Energy: 1.6415874700439452
Energy: 1.3511513077420823
Energy: 1.327870104387274
Energy: 1.3511513077526827
Energy: 1.6415874700439452
Energy: 1.3511513077495025
Energy: 1.3953491852951285
Energy: 1.6988348540633809
Energy: 1.3387781262982226
Energy: 1.698834854054949
Energy: 1.3953491852951285
Energy: 1.698834854054949
Energy: 1.4960999538642434
Energy: 1.3260470264369304
Energy: 1.32546706839472
Energy: 1.3260470264305704
Energy: 1.4960999538642434
Energy: 1.3260470264337505
Energy: 1.3141475054621414
Energy: 1.6116777183457989
Energy: 1.5144195705651822
Energy: 1.6116777183415587
Energy: 1.3141475054632017
Energy: 1.6116777183426187
Energy: 1.3628775903134482
Energy: 1.485914129260257
Energy: 1.5026007000214041
Energy: 1.4859141292581366
Energy: 1.3628775903113284
Energy: 1.4859141292591966
Energy: 1.2857053139518553
Energy: 1.5153991532868945
Energy: 1.5106085076829818
Energy: 1.515399153196792
Energy: 1.2857053139518553
Energy: 1.5153991532890145
Energy: 1.4478962940853384
Energy: 1.5312005671389197
Energy: 1.5026702056907713
Energy: 1.5312005671389197
Energy: 1.4478962940842786
Energy: 1.53120056713786
Energy: 1.3162335738682887
Energy: 1.5364497753541275
Energy: 1.3388929098604416
Energy: 1.5364497753541275
Energy: 1.3162335738672286
Energy: 1.5364497753541275
Energy: 1.5268042039750975
Energy: 1.579720407455423
Energy: 1.321303180243125
Energy: 1.5797204073526487
Energy: 1.5268042039729774
Energy: 1.579720407487224
Energy: 1.5483985271470428
Energy: 1.57744821788481
Energy: 1.33570336855939
Energy: 1.57744821788375
Energy: 1.5483985271470428
Energy: 1.5774482178795097
Energy: 1.5103649264888557
Energy: 1.5053850203258894
Energy: 1.3261253706854965
Energy: 1.5053850203258894
Energy: 1.5103649264888557
Energy: 1.5053850203184689
Energy: 1.3163372339588182
Energy: 1.6439401064995325
Energy: 1.5016961061103287
Energy: 1.6439401064984727
Energy: 1.3163372339598782
Energy: 1.6439401065005446
Energy: 1.3600277021308407
Energy: 1.5055674035290239
Energy: 1.4992668053864457
Energy: 1.5055674035332638
Energy: 1.3600277021297809
Energy: 1.5055674035279638
Energy: 1.290831476465831
Energy: 1.5074404666305892
Energy: 1.5012702593703273
Energy: 1.5074404666464893
Energy: 1.290831476465831
Energy: 1.5074404666348291
Energy: 1.313038994862314
Energy: 1.563237388292665
Energy: 1.4998170955895702
Energy: 1.563237388291605
Energy: 1.313038994865494
Energy: 1.563237388292665
Energy: 1.3202530092697886
Energy: 1.5564699050207376
Energy: 1.3362367855597572
Energy: 1.556469905004837
Energy: 1.3202530092697886
Energy: 1.5564699049878765
Energy: 1.3864712322854604
Energy: 1.660681558336251
Energy: 1.3264079686523393
Energy: 1.6606815583383712
Energy: 1.3864712322854604
Energy: 1.660681558336251
Energy: 1.3875813538447774
Energy: 1.5514343952393659
Energy: 1.3286964260785408
Energy: 1.5514343952287657
Energy: 1.3875813538458375
Energy: 1.5514343952615783
Energy: 1.3127456030067486
Energy: 1.5111358102484915
Energy: 1.3283366431214085
Energy: 1.5111358102495516
Energy: 1.3127456030056885
Energy: 1.5111358102474315
Energy: 1.3198728143565326
Energy: 1.6465803633935505
Energy: 1.4995004058066197
Energy: 1.6465803633850704
Energy: 1.3198728143565326
Energy: 1.6465803633808302

minimum gb energy = 1.2814275896143599 eV
minimum distance =  2.19819219097786 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.4556293987457651
Energy: 1.645318544267631
Energy: 1.79857464177927
Energy: 1.6453185442684035
Energy: 1.4556293987457651
Energy: 1.64531854427072
Energy: 1.3899936587085646
Energy: 1.3576405840574242
Energy: 1.323632319735762
Energy: 1.357640584061286
Energy: 1.3899936587070199
Energy: 1.3576405840620585
Energy: 1.3265406099566517
Energy: 1.4384819524809147
Energy: 1.604587536145599
Energy: 1.4384819524809147
Energy: 1.3265406099566517
Energy: 1.4384819524824595
Energy: 1.4439596983245435
Energy: 1.6180789354411265
Energy: 1.406713877767513
Energy: 1.6180789354403542
Energy: 1.4439596983253158
Energy: 1.6180789354403542
Energy: 1.326916068907878
Energy: 1.412923137808478
Energy: 1.4156171030597982
Energy: 1.4129231378594522
Energy: 1.3269160689071058
Energy: 1.412923137817746
Energy: 1.3977421784099269
Energy: 1.4236554236108152
Energy: 1.325015345024763
Energy: 1.4236554236502048
Energy: 1.3977421784076098
Energy: 1.4236554236193113
Energy: 1.3261258669257787
Energy: 1.4120177628480344
Energy: 1.361520542287742
Energy: 1.4120177625801371
Energy: 1.3261258669257787
Energy: 1.4120177625677797
Energy: 1.4344093463680032
Energy: 1.4050178405736762
Energy: 1.3279281217215908
Energy: 1.4050178405729037
Energy: 1.4344093463664587
Energy: 1.4050178405744485
Energy: 1.4047222082435002
Energy: 1.6185718603266022
Energy: 1.4314704039775121
Energy: 1.6185718603266022
Energy: 1.4047222082435002
Energy: 1.6185718603273744
Energy: 1.5328814138110312
Energy: 1.442345745583504
Energy: 1.3259875006101183
Energy: 1.4423457455248414
Energy: 1.5328814138110312
Energy: 1.4423457455541553
Energy: 1.3248531860998385
Energy: 1.373715664632608
Energy: 1.6224358269024874
Energy: 1.3737156646341526
Energy: 1.324853186100611
Energy: 1.373715664631063
Energy: 1.3566775428106315
Energy: 1.5912479239937805
Energy: 1.4432912103681785
Energy: 1.591247922800267
Energy: 1.3566775428106315
Energy: 1.5912479239327653
Energy: 1.3289019179164068
Energy: 1.3623609592024537
Energy: 1.4291415236346467
Energy: 1.362360959203226
Energy: 1.3289019179164068
Energy: 1.3623609592039985
Energy: 1.4037886297431
Energy: 1.4853994541899997
Energy: 1.3260695565180536
Energy: 1.4853994541915443
Energy: 1.4037886297469615
Energy: 1.485399454190772
Energy: 1.4009822293783174
Energy: 1.61789348534836
Energy: 1.3591432489570439
Energy: 1.617893485405478
Energy: 1.4009822293783174
Energy: 1.6178934853074607
Energy: 1.405745526277926
Energy: 1.5398145186075036
Energy: 1.3303221306420214
Energy: 1.5398145186847028
Energy: 1.405745526275609
Energy: 1.5398145186993772
Energy: 1.3307204090440714
Energy: 1.4984179269304643
Energy: 1.399640414912745
Energy: 1.4984179268501758
Energy: 1.3307204090432991
Energy: 1.4984179269011153
Energy: 1.3560425051111613
Energy: 1.406139058838439
Energy: 1.3251033067246838
Energy: 1.4061390587928708
Energy: 1.356042505115023
Energy: 1.4061390588638911
Energy: 1.3558905573552562
Energy: 1.47101939570498
Energy: 1.4039023629903051
Energy: 1.471019395707297
Energy: 1.355890557354484
Energy: 1.4710193957088418
Energy: 1.3431901894867282
Energy: 1.5838814833702337
Energy: 1.4007430477781615
Energy: 1.5838814833710062
Energy: 1.3431901894859557
Energy: 1.583881483374868
Energy: 1.3322481729939677
Energy: 1.420480880342291
Energy: 1.356000366301472
Energy: 1.4204808803144868
Energy: 1.3322481729931952
Energy: 1.42048088029904
Energy: 1.7239352026224637
Energy: 1.4818289607904676
Energy: 1.3311303826656542
Energy: 1.481828960788923
Energy: 1.723935202623236
Energy: 1.4818289607881507
Energy: 1.8206786851491399
Energy: 1.543272409497727
Energy: 1.358069801675708
Energy: 1.543272409496955
Energy: 1.8206786851491399
Energy: 1.543272409497727
Energy: 1.3346320891550822
Energy: 1.6171449903141724
Energy: 1.3559291296196765
Energy: 1.6171449902994977
Energy: 1.3346320891527652
Energy: 1.6171449903079935
Energy: 1.3329898293162628
Energy: 1.5840762978941842
Energy: 1.4115050920143044
Energy: 1.5840762978934118
Energy: 1.3329898293162628
Energy: 1.5840762978965013
Energy: 1.363082627141357
Energy: 1.5673361539508088
Energy: 1.4068011947173888
Energy: 1.567336153948492
Energy: 1.3630826271405847
Energy: 1.5673361539469473
Energy: 1.3681558801766127
Energy: 1.5394643474314516
Energy: 1.4005158523187617
Energy: 1.5394643474160048
Energy: 1.3681558801773852
Energy: 1.5394643474314516
Energy: 1.3990777001124328
Energy: 1.7343442655747845
Energy: 1.3990553736249338
Energy: 1.7343442655740124
Energy: 1.3990777001124328
Energy: 1.7343442655747845
Energy: 1.400797267397237
Energy: 1.540471189382353
Energy: 1.3684028414855751
Energy: 1.5404711894070326
Energy: 1.400797267397237
Energy: 1.5404711893831253
Energy: 1.4059442435122014
Energy: 1.567784021894481
Energy: 1.3605356237593134
Energy: 1.5677840218512298
Energy: 1.4059442435129736
Energy: 1.5677840218960255
Energy: 1.411334892085841
Energy: 1.5837360888120549
Energy: 1.3321087415803055
Energy: 1.5837360888120549
Energy: 1.4113348920850688
Energy: 1.5837360888120549
Energy: 1.3559418828396035
Energy: 1.4274846738477411
Energy: 1.3407891111687227
Energy: 1.4274846750914216
Energy: 1.3559418828396035
Energy: 1.4274846721532242
Energy: 1.358130070382648
Energy: 1.5436393501057857
Energy: 1.820759355123591
Energy: 1.5436393501057857
Energy: 1.358130070382648
Energy: 1.5436393501057857
Energy: 1.3308427896587531
Energy: 1.4850527272957752
Energy: 1.7237701203387796
Energy: 1.4850527272903689
Energy: 1.3308427896579809
Energy: 1.4850527273166285
Energy: 1.3601985003669501
Energy: 1.4191213962487015
Energy: 1.3324401721048293
Energy: 1.419121396281877
Energy: 1.3601985003669501
Energy: 1.4191213962463844
Energy: 1.4012288999402893
Energy: 1.5836590530423709
Energy: 1.3424596797735802
Energy: 1.5836590530423709
Energy: 1.4012288999395173
Energy: 1.5836590530423709

minimum gb energy = 1.323632319735762 eV
minimum distance =  2.23024984851443 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.3698495011543812
Energy: 1.3751873231808045
Energy: 1.899764436923094
Energy: 1.3751873231816427
Energy: 1.3698495011543812
Energy: 1.3751873231813525
Energy: 1.5668197165566053
Energy: 1.374550711360111
Energy: 1.3697768541167157
Energy: 1.3745507113584017
Energy: 1.5668197165551865
Energy: 1.3745507113586921
Energy: 1.3697347253415646
Energy: 1.37418796670874
Energy: 1.567099290740093
Energy: 1.3741879667101589
Energy: 1.3697347253415646
Energy: 1.3741879667101589
Energy: 1.713681610148188
Energy: 1.3751873231827716
Energy: 1.3698495011546716
Energy: 1.3751873231816427
Energy: 1.713681610149607
Energy: 1.3751873231816427
Energy: 1.3697768541167157
Energy: 1.374550711358982
Energy: 1.5668197165568956
Energy: 1.3745507113598205
Energy: 1.3697768541164252
Energy: 1.3745507113592401
Energy: 1.5670992907409633
Energy: 1.3741879667101589
Energy: 1.3697347253418546
Energy: 1.3741879667110295
Energy: 1.5670992907406733
Energy: 1.3741879667104493
Energy: 1.3698495011546716
Energy: 1.3751873231810945
Energy: 1.7136816101484462
Energy: 1.3751873231813525
Energy: 1.369849501154962
Energy: 1.3751873231819332
Energy: 1.5668197165546383
Energy: 1.3745507113595303
Energy: 1.3697768541167157
Energy: 1.3745507113598205
Energy: 1.5668197165560573
Energy: 1.374550711358982
Energy: 1.3697347253415646
Energy: 1.3741879667101589
Energy: 1.567099290740093
Energy: 1.3741879667090304
Energy: 1.3697347253415646
Energy: 1.3741879667096109
Energy: 1.7136816101487362
Energy: 1.3751873231813525
Energy: 1.3698495011546716
Energy: 1.3751873231822234
Energy: 1.7136816101487362
Energy: 1.3751873231825134

minimum gb energy = 1.3697347253415646 eV
minimum distance =  2.23325931958288 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.8068627280079688
Energy: 1.7420292405964966
Energy: 1.617998123946275
Energy: 1.7420292407594673
Energy: 1.8068627280096672
Energy: 1.7420292406389182
Energy: 1.5658951220362538
Energy: 1.4439167229482637
Energy: 1.3119307762966346
Energy: 1.4439167229508114
Energy: 1.5658951220362538
Energy: 1.443916722949962
Energy: 1.338752756654308
Energy: 1.3400410633093007
Energy: 1.4653690766757679
Energy: 1.3400410633093007
Energy: 1.338752756654308
Energy: 1.3400410633093007
Energy: 1.6006949255912757
Energy: 1.7668692617998418
Energy: 1.4554612861886058
Energy: 1.766869261804088
Energy: 1.600694925583633
Energy: 1.7668692618032387
Energy: 1.4237367622032375
Energy: 1.435390807758032
Energy: 1.7154946765750498
Energy: 1.4353908077622781
Energy: 1.4237367622032375
Energy: 1.435390807761429
Energy: 1.487974905349115
Energy: 1.3824572118034386
Energy: 1.3034680662772364
Energy: 1.3824572118025893
Energy: 1.4879749053474163
Energy: 1.3824572118017402
Energy: 1.4243159898409898
Energy: 1.4309097387196064
Energy: 1.4239080919657294
Energy: 1.4309097387213046
Energy: 1.4243159898409898
Energy: 1.430909738718757
Energy: 1.4222478830966254
Energy: 1.636425699014416
Energy: 1.4445156447797773
Energy: 1.6364256990118682
Energy: 1.4222478830966254
Energy: 1.6364256990186619
Energy: 1.3376042229337266
Energy: 1.4698687740130787
Energy: 1.710398799105409
Energy: 1.4698687740139278
Energy: 1.3376042229337266
Energy: 1.4698687740139278
Energy: 1.3398122441399305
Energy: 1.3522155291264937
Energy: 1.3119142985727332
Energy: 1.3522155291732
Energy: 1.3398122441407796
Energy: 1.3522155291774074
Energy: 1.6581508790528459
Energy: 1.576061970878912
Energy: 1.4318869142414394
Energy: 1.5760619708840071
Energy: 1.658150879054544
Energy: 1.5760619708806105
Energy: 1.658452547565752
Energy: 1.4198762118650998
Energy: 1.3133954529729823
Energy: 1.4198762118608537
Energy: 1.6584525475674508
Energy: 1.4198762118650998
Energy: 1.3394960197480579
Energy: 1.3821905369088854
Energy: 1.313242598418155
Energy: 1.3821905369088854
Energy: 1.3394960197480579
Energy: 1.382190536908036
Energy: 1.3383677262200295
Energy: 1.4235846146844295
Energy: 1.4415286497870707
Energy: 1.4235846146827313
Energy: 1.3383677262191802
Energy: 1.4235846146810713
Energy: 1.4204719445947824
Energy: 1.4645990869350811
Energy: 1.4429030496525936
Energy: 1.464599086931684
Energy: 1.4204719445956315
Energy: 1.464599086931684
Energy: 1.4181932160735116
Energy: 1.352107430528728
Energy: 1.3033371696140945
Energy: 1.352107430529577
Energy: 1.4181932160735116
Energy: 1.3521074305278786
Energy: 1.4215605358975019
Energy: 1.4163360459422771
Energy: 1.3031886249614886
Energy: 1.4163360459456737
Energy: 1.4215605358975019
Energy: 1.4163360459397294
Energy: 1.418054843417674
Energy: 1.4947070659764683
Energy: 1.4420300671751893
Energy: 1.4947070659748085
Energy: 1.4180548434159757
Energy: 1.4947070659748085
Energy: 1.3393651963153501
Energy: 1.4682394376232653
Energy: 1.4415121589427786
Energy: 1.468239437628361
Energy: 1.3393651963170483
Energy: 1.468239437624964
Energy: 1.3391126013632002
Energy: 1.3403631704019636
Energy: 1.313712649295828
Energy: 1.3403631703968681
Energy: 1.339112601362351
Energy: 1.340363170445273
Energy: 1.5942773898525064
Energy: 1.3437906522672198
Energy: 1.3130137527669443
Energy: 1.343790652263823
Energy: 1.5942773884722719
Energy: 1.343790652263823
Energy: 1.6686556956694774
Energy: 1.3143326459281417
Energy: 1.4309425750434575
Energy: 1.3143326459001563
Energy: 1.668655695670288
Energy: 1.3143326459256326
Energy: 1.3394390954770066
Energy: 1.4645606613411608
Energy: 1.3140855876386608
Energy: 1.4645606613386133
Energy: 1.3394390954770066
Energy: 1.4645606613394626
Energy: 1.3388959970475847
Energy: 1.5333294183884971
Energy: 1.7084408878583592
Energy: 1.5333294183910449
Energy: 1.3388959970484342
Energy: 1.5333294183918942
Energy: 1.419879656732273
Energy: 1.5196692985585756
Energy: 1.4433837278539963
Energy: 1.5196692985610845
Energy: 1.419879656732273
Energy: 1.5196692985610845
Energy: 1.420764308424241
Energy: 1.4970637264000362
Energy: 1.3899655836503892
Energy: 1.4970637264008853
Energy: 1.420764308424241
Energy: 1.4970637264025835
Energy: 1.4207763811631848
Energy: 1.5557558491085925
Energy: 1.3014358190682151
Energy: 1.5557558491119894
Energy: 1.4207763811606373
Energy: 1.5557558491119894
Energy: 1.420855120979431
Energy: 1.5051411342897
Energy: 1.7139202863748206
Energy: 1.5051411342897
Energy: 1.4208551209785818
Energy: 1.5051411342871526
Energy: 1.4636429795979398
Energy: 1.769255674079564
Energy: 1.4482598169358993
Energy: 1.769255674079564
Energy: 1.4636429795970907
Energy: 1.7692556740787144
Energy: 1.3383615845262482
Energy: 1.3572464862455398
Energy: 1.5460819594733708
Energy: 1.3572464862429923
Energy: 1.3383615845262482
Energy: 1.3572464862429923
Energy: 1.5186693229634896
Energy: 1.4481357196800135
Energy: 1.3125004718913205
Energy: 1.4481357196791642
Energy: 1.5186693229626402
Energy: 1.4481357196791642
Energy: 1.6710050701801287
Energy: 1.6863562258602354
Energy: 1.354264282904412
Energy: 1.6863562241557963
Energy: 1.6710050701801287
Energy: 1.686356224489381
Energy: 1.690277321831006
Energy: 1.4448937615829764
Energy: 1.3134133618874264
Energy: 1.4448937615821271
Energy: 1.6902773218327043
Energy: 1.4448937615821271

minimum gb energy = 1.3014358190682151 eV
minimum distance =  2.19373685753293 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.465390060140084
Energy: 1.8010634055148709
Energy: 1.7832794377868006
Energy: 1.8010634055208659
Energy: 1.465390060138874
Energy: 1.8010634055232861
Energy: 1.6284247279299953
Energy: 1.4096093079155358
Energy: 1.2930438387990342
Energy: 1.409609307917956
Energy: 1.6284247279287851
Energy: 1.4096093079155358
Energy: 1.2977810638303144
Energy: 1.3674213696261828
Energy: 1.4765818225597023
Energy: 1.3674213695705215
Energy: 1.2977810638291043
Energy: 1.367421369581412
Energy: 1.6407372026823337
Energy: 1.6627163368669813
Energy: 1.4121509887282293
Energy: 1.6627163368681914
Energy: 1.6407372026823337
Energy: 1.6627163368657714
Energy: 1.4029212306940446
Energy: 1.659583954756624
Energy: 1.525760306776778
Energy: 1.6595839547554139
Energy: 1.4029212306940446
Energy: 1.659583954754204
Energy: 1.4029406381529468
Energy: 1.4777331788251675
Energy: 1.2768825243442905
Energy: 1.4777331788215378
Energy: 1.4029406381541571
Energy: 1.4777331788227477
Energy: 1.4001477645531288
Energy: 1.3036644978422978
Energy: 1.3007091761730945
Energy: 1.303664501149025
Energy: 1.4001477645531288
Energy: 1.3036645045102035
Energy: 1.396819519033234
Energy: 1.543009651238673
Energy: 1.6849978455131314
Energy: 1.543009651238673
Energy: 1.396819519033234
Energy: 1.543009651239883
Energy: 1.3948187037999746
Energy: 1.4139837127290213
Energy: 1.6838684010792222
Energy: 1.4139837127302315
Energy: 1.3948187037999746
Energy: 1.4139837127338615
Energy: 1.3961572538650024
Energy: 1.3099528918768846
Energy: 1.3017787635897102
Energy: 1.3099528960121503
Energy: 1.3961572538650024
Energy: 1.3099527116532825
Energy: 1.3946165118415592
Energy: 1.4758345601179397
Energy: 1.3080281024172296
Energy: 1.4758345601239897
Energy: 1.3946165118427694
Energy: 1.4758345601239897
Energy: 1.3989369227337656
Energy: 1.3355979789246184
Energy: 1.3986707890070256
Energy: 1.3355979789258285
Energy: 1.3989369227349755
Energy: 1.3355979789258285
Energy: 1.3000182363132464
Energy: 1.433025176300071
Energy: 1.3960099021400911
Energy: 1.433025176296441
Energy: 1.3000182363096164
Energy: 1.433025176296441
Energy: 1.2976230141948306
Energy: 1.4215211180106544
Energy: 1.3968167640077704
Energy: 1.4215211181122416
Energy: 1.2976230141960405
Energy: 1.4215211182307692
Energy: 1.7541531852621797
Energy: 1.4416573435336186
Energy: 1.396035308181125
Energy: 1.4416573435263582
Energy: 1.7541531852609695
Energy: 1.4416573435311986
Energy: 1.7546816136515992
Energy: 1.597449137080873
Energy: 1.4029968964489037
Energy: 1.5974491370046964
Energy: 1.754681613639499
Energy: 1.5974491370022763
Energy: 1.3019338132370155
Energy: 1.305903860215626
Energy: 1.399685140123713
Energy: 1.3059038408613621
Energy: 1.3019338132370155
Energy: 1.305903815141589
Energy: 1.2763899658885072
Energy: 1.5731544600075287
Energy: 1.4034101147261535
Energy: 1.5731544600099487
Energy: 1.2763899658897173
Energy: 1.5731544600111587
Energy: 1.5456605768552087
Energy: 1.798650742099274
Energy: 1.4028672933502497
Energy: 1.7986507420980637
Energy: 1.5456605790008608
Energy: 1.7986507420944338
Energy: 1.406034347922482
Energy: 1.7179526064306965
Energy: 1.5997100319728104
Energy: 1.7179526064319066
Energy: 1.4060343479212718
Energy: 1.7179526064306965
Energy: 1.6024558040068508
Energy: 1.4763286783824194
Energy: 1.2980769787414541
Energy: 1.4763286783872598
Energy: 1.602455804005641
Energy: 1.47632867838847
Energy: 1.2911313534653097
Energy: 1.4041984812446013
Energy: 1.7805685202157664
Energy: 1.4041984812397614
Energy: 1.2911313534641
Energy: 1.4041984812397614
Energy: 1.6377131033685044
Energy: 1.7429955919801632
Energy: 1.3233980120890185
Energy: 1.742995591981373
Energy: 1.6377131033358885
Energy: 1.7429955919801632

minimum gb energy = 1.2763899658885072 eV
minimum distance =  2.19692932690183 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.5364850749772876
Energy: 1.7886106380268247
Energy: 1.7592606627724343
Energy: 1.7886106380291278
Energy: 1.536485074974217
Energy: 1.7886106380237543
Energy: 1.706515894528046
Energy: 1.5012737699749839
Energy: 1.2354068944243646
Energy: 1.5012737699450815
Energy: 1.706515894488165
Energy: 1.5012737699795895
Energy: 1.2335500246790054
Energy: 1.3237410393824556
Energy: 1.6153916095971594
Energy: 1.3237410393824556
Energy: 1.233550024679773
Energy: 1.3237410393809204
Energy: 1.3081375230568204
Energy: 1.3551148930069294
Energy: 1.2417837921980297
Energy: 1.3551148629181688
Energy: 1.3081375230552854
Energy: 1.355114904681067
Energy: 1.4597947061784469
Energy: 1.5442721953302525
Energy: 1.4458925391226964
Energy: 1.5442721953225764
Energy: 1.45979470618075
Energy: 1.5442721953225764
Energy: 1.459309730161852
Energy: 1.4506330878911229
Energy: 1.2377564415867923
Energy: 1.4506330878911229
Energy: 1.4593097301603168
Energy: 1.4506330878911229
Energy: 1.229362493157177
Energy: 1.261251749497986
Energy: 1.2478257861499786
Energy: 1.2612517494972186
Energy: 1.229362493157177
Energy: 1.2612517494956832
Energy: 1.2532212742774165
Energy: 1.229404977562902
Energy: 1.4597960857329189
Energy: 1.2294049775782543
Energy: 1.2532212742781839
Energy: 1.2294049775659726
Energy: 1.441267879397558
Energy: 1.428278004271098
Energy: 1.4557823825127814
Energy: 1.4282780042695626
Energy: 1.4412678793983256
Energy: 1.428278004268795
Energy: 1.2367342434010786
Energy: 1.248164719228178
Energy: 1.226418453785953
Energy: 1.24816471922434
Energy: 1.2367342434010786
Energy: 1.248164719230481
Energy: 1.224403238375012
Energy: 1.4411921305280948
Energy: 1.25326363386332
Energy: 1.4411921305280948
Energy: 1.22440323837578
Energy: 1.4411921305273272
Energy: 1.2275734033876005
Energy: 1.2934421146919213
Energy: 1.7223638536411865
Energy: 1.2934421146919213
Energy: 1.2275734033868326
Energy: 1.2934421146903858
Energy: 1.4685422311375105
Energy: 1.5566501637725898
Energy: 1.5271458445399395
Energy: 1.55665016377566
Energy: 1.4685422311352079
Energy: 1.5566501637710544
Energy: 1.235294502040566
Energy: 1.2520969059527949
Energy: 1.2348765720240382
Energy: 1.2520969061077838
Energy: 1.2352945020413335
Energy: 1.2520969058530393
Energy: 1.4566303607357276
Energy: 1.311954311729642
Energy: 1.2268768387408346
Energy: 1.311954311729642
Energy: 1.4566303607357276
Energy: 1.3119543117304096
Energy: 1.2419049861007283
Energy: 1.473899823419059
Energy: 1.6488047338088225
Energy: 1.473899823419059
Energy: 1.2419049861007283
Energy: 1.4738998234205942
Energy: 1.7023897751036448
Energy: 1.793313326007853
Energy: 1.5061161458078418
Energy: 1.793313326008621
Energy: 1.702389775101342
Energy: 1.793313326008621
Energy: 1.225697571046757
Energy: 1.260154215042854
Energy: 1.6313704938394256
Energy: 1.260154215042854
Energy: 1.2256975710459894
Energy: 1.260154215042854
Energy: 1.4752491849208877
Energy: 1.2606990071063968
Energy: 1.2293244959480807
Energy: 1.2606990071071646
Energy: 1.4752491849147469
Energy: 1.2606990071025588
Energy: 1.4607970937618657
Energy: 1.545753105144092
Energy: 1.2493629834328999
Energy: 1.5457531051463949
Energy: 1.4607970937618657
Energy: 1.5457531051471622
Energy: 1.7052590155044163
Energy: 1.4047660182320219
Energy: 1.2373363735389449
Energy: 1.4047660182342898
Energy: 1.7052590155051839
Energy: 1.4047660182342898
Energy: 1.2338924940485114
Energy: 1.4456005467142696
Energy: 1.4457389031670362
Energy: 1.4456005467142696
Energy: 1.2338924940485114
Energy: 1.445600546715037
Energy: 1.2478058300062347
Energy: 1.4435832832243707
Energy: 1.2287233745076174
Energy: 1.443583283225906
Energy: 1.24780583000777
Energy: 1.4435832832228352
Energy: 1.5128324694639623
Energy: 1.5778573353496665
Energy: 1.2245771286757468
Energy: 1.5778573353512018
Energy: 1.5128324694647297
Energy: 1.5778573353512018
Energy: 1.721863111762848
Energy: 1.2963997679122166
Energy: 1.2244063224425512
Energy: 1.2963997679122166
Energy: 1.7218631117636156
Energy: 1.2963997679122166
Energy: 1.2604587365698683
Energy: 1.4506092277062845
Energy: 1.2332105414525845
Energy: 1.450609227705517
Energy: 1.2604587365706361
Energy: 1.450609227705517
Energy: 1.2267761819178482
Energy: 1.4518189883599817
Energy: 1.4413185877230832
Energy: 1.4518189883599817
Energy: 1.2267761819178482
Energy: 1.4518189883599817
Energy: 1.458652018638327
Energy: 1.4242967123769572
Energy: 1.2367682093716335
Energy: 1.4242967123969155
Energy: 1.4586520186367915
Energy: 1.4242967123907746
Energy: 1.4575841099942026
Energy: 1.2300315026313366
Energy: 1.248322071794382
Energy: 1.2300314993075177
Energy: 1.457584110001111
Energy: 1.230031523964721
Energy: 1.2515735245565616
Energy: 1.2570514346060464
Energy: 1.2310565661521977
Energy: 1.2570514346060464
Energy: 1.2515735245573292
Energy: 1.257051434605279
Energy: 1.2293830107288646
Energy: 1.4236670283398933
Energy: 1.70554730309015
Energy: 1.4236670283398933
Energy: 1.2293830107296322
Energy: 1.4236670283406607
Energy: 1.4507452775454726
Energy: 1.7774011367457778
Energy: 1.4694201890865155
Energy: 1.7774011367442424
Energy: 1.4507452775148026
Energy: 1.7774011367488483
Energy: 1.2401941755592332
Energy: 1.4823459868740951
Energy: 1.548643998967437
Energy: 1.4823459868748627
Energy: 1.2401941755600006
Energy: 1.4823459868748627
Energy: 1.6429956438119908
Energy: 1.2986626896098634
Energy: 1.2334695964198534
Energy: 1.2986626896075608
Energy: 1.6429956437598277
Energy: 1.2986626896083282
Energy: 1.2317125791067371
Energy: 1.4990390603287975
Energy: 1.5853706380028978
Energy: 1.4990390603295654
Energy: 1.2317125791082724
Energy: 1.4990390603295654
Energy: 1.4683612932397672
Energy: 1.5581354914857157
Energy: 1.5420135702112912
Energy: 1.5581354914811103
Energy: 1.4683612932405348
Energy: 1.5581354914857157
Energy: 1.228933977742639
Energy: 1.6367828269412121
Energy: 1.722942750964348
Energy: 1.6367828269427473
Energy: 1.228933977742639
Energy: 1.6367828269366065

minimum gb energy = 1.224403238375012 eV
minimum distance =  2.18487205145595 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.0832150084097953
Energy: 1.0584569255626226
Energy: 1.8357929267106674
Energy: 1.0584569255626226
Energy: 1.0832150084097953
Energy: 1.058456925564718
Energy: 1.6327154593340103
Energy: 1.0551067739592734
Energy: 1.0536730751942454
Energy: 1.0551067739592734
Energy: 1.6327154593340103
Energy: 1.0551067739592734
Energy: 1.0838107377225874
Energy: 1.2443319253878835
Energy: 1.0556489936246791
Energy: 1.2443319253878835
Energy: 1.0838107377225874
Energy: 1.2443319253878835
Energy: 1.658904754549255
Energy: 1.0556094608989413
Energy: 1.0536319873447777
Energy: 1.0556094608989413
Energy: 1.658904754549255
Energy: 1.0556094608989413
Energy: 1.0808890611084214
Energy: 1.4558490454802315
Energy: 1.0558732140644342
Energy: 1.4558490454781357
Energy: 1.0808890611105173
Energy: 1.4558490454802315
Energy: 1.0789372827906465
Energy: 1.0978384265882803
Energy: 1.0533597860592627
Energy: 1.0978384265903762
Energy: 1.0789373173187355
Energy: 1.0978384265903762
Energy: 1.6588798130023523
Energy: 1.0556134140447793
Energy: 1.054003175183264
Energy: 1.0556134140426836
Energy: 1.6588798130044484
Energy: 1.0556134140426836
Energy: 1.083917190249193
Energy: 1.060395434954387
Energy: 1.0545202815852
Energy: 1.0603954349522913
Energy: 1.0839171902450013
Energy: 1.0603954349522913
Energy: 1.6036399884358143
Energy: 1.1015767930021556
Energy: 1.0533554806418526
Energy: 1.1015767930021556
Energy: 1.6036399884358143
Energy: 1.1015767930021556
Energy: 1.0855935035159243
Energy: 1.4568229125231327
Energy: 1.0577222442931793
Energy: 1.456822912516845
Energy: 1.0855935035180202
Energy: 1.456822912518941
Energy: 1.6234681976655359
Energy: 1.059972427084583
Energy: 1.0613854362918584
Energy: 1.0599724270803914
Energy: 1.6234681976655359
Energy: 1.059972427082487
Energy: 1.0958441692070608
Energy: 1.2439346585028068
Energy: 1.6721850299217318
Energy: 1.2439346584965192
Energy: 1.0958441692091567
Energy: 1.2439346584965192
Energy: 1.625026960431676
Energy: 1.0601205038191786
Energy: 1.063675019204144
Energy: 1.0601205038191786
Energy: 1.625026960431676
Energy: 1.0601205038212742
Energy: 1.085563044687253
Energy: 1.4532335777376735
Energy: 1.0577240509553005
Energy: 1.4532335777355776
Energy: 1.085563044689349
Energy: 1.4532335777376735

minimum gb energy = 1.0533554806418526 eV
minimum distance =  2.20827242812218 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.7029249016332084
Energy: 1.3289305835695795
Energy: 1.699794009515388
Energy: 1.3289305835695795
Energy: 1.7029249016332084
Energy: 1.3289305835705003
Energy: 1.5570716337138464
Energy: 1.6760979929674473
Energy: 1.3308232273389968
Energy: 1.6760979929692887
Energy: 1.557071633712005
Energy: 1.6760979929674473
Energy: 1.26000738065212
Energy: 1.349921905496336
Energy: 1.3318289245315584
Energy: 1.3499219054972564
Energy: 1.2600073806530405
Energy: 1.349921905496336
Energy: 1.278415610576359
Energy: 1.3730588175345995
Energy: 1.2741267485702998
Energy: 1.373058817532758
Energy: 1.278415610576359
Energy: 1.373058817532758
Energy: 1.5441347692505376
Energy: 1.471538428509415
Energy: 1.3275918506783115
Energy: 1.4715384284992874
Energy: 1.5441347692505376
Energy: 1.4715384284854771
Energy: 1.380237461968901
Energy: 1.575441843613916
Energy: 1.5430388329321751
Energy: 1.5754418436111537
Energy: 1.380237461968901
Energy: 1.5754418436120745
Energy: 1.3172599650304144
Energy: 1.688282566000482
Energy: 1.3830277328724658
Energy: 1.688282565998641
Energy: 1.317259965031335
Energy: 1.6882825659995613
Energy: 1.2769783411626299
Energy: 1.3592808167327621
Energy: 1.299407174544347
Energy: 1.3592808167327621
Energy: 1.2769783411635505
Energy: 1.3592808167336825
Energy: 1.553592358404779
Energy: 1.3967811069092722
Energy: 1.2608581316951322
Energy: 1.3967811069092722
Energy: 1.5535923584038585
Energy: 1.3967811069092722
Energy: 1.3303568270065875
Energy: 1.4492946778275304
Energy: 1.2749859591441468
Energy: 1.449294677831213
Energy: 1.3303568270065875
Energy: 1.449294677831213
Energy: 1.548849051234224
Energy: 1.6110771199135816
Energy: 1.5428009111335645
Energy: 1.611077119912661
Energy: 1.548849051234224
Energy: 1.6110771199117404
Energy: 1.3306947749295992
Energy: 1.4372411219466046
Energy: 1.489050038507366
Energy: 1.4372411219475252
Energy: 1.3306947749277576
Energy: 1.4372411219475252
Energy: 1.3283323129276163
Energy: 1.294167855672965
Energy: 1.3800661094409232
Energy: 1.2941678556748066
Energy: 1.3283323129276163
Energy: 1.2941678556748066
Energy: 1.3296660982573907
Energy: 1.4150650181266917
Energy: 1.2817425092855428
Energy: 1.4150650181276123
Energy: 1.3296660982573907
Energy: 1.4150650181266917
Energy: 1.2704156972865746
Energy: 1.6082597036013917
Energy: 1.5224435180767404
Energy: 1.60825970359955
Energy: 1.2704156972874951
Energy: 1.60825970359955
Energy: 1.6242746837691495
Energy: 1.6565015806977437
Energy: 1.382508186390939
Energy: 1.6565015806986434
Energy: 1.6242746837700703
Energy: 1.6565015806977437
Energy: 1.3794785234858904
Energy: 1.6212162072126906
Energy: 1.5423804305526707
Energy: 1.62121620721177
Energy: 1.3794785234950973
Energy: 1.62121620721177
Energy: 1.5433923238464857
Energy: 1.4581817728439381
Energy: 1.2713498473187002
Energy: 1.458181772847621
Energy: 1.5433923238455651
Energy: 1.4581817728494624
Energy: 1.2789724644559795
Energy: 1.46705556318742
Energy: 1.3288850758765196
Energy: 1.4670555631855786
Energy: 1.2789724644550586
Energy: 1.4670555631846578
Energy: 1.2570580644600051
Energy: 1.393384485374884
Energy: 1.3293755440285357
Energy: 1.3933844853758048
Energy: 1.2570580644600051
Energy: 1.393384485374884
Energy: 1.54635167018546
Energy: 1.4890853906896797
Energy: 1.328451124129299
Energy: 1.489085390688759
Energy: 1.5463516701845392
Energy: 1.489085390688759
Energy: 1.6049881586732604
Energy: 1.6267622505823947
Energy: 1.5453337606547524
Energy: 1.626762250581474
Energy: 1.6049881586751016
Energy: 1.6267622505860775
Energy: 1.2763046479248688
Energy: 1.4503050836903555
Energy: 1.35564275768511
Energy: 1.450305083688514
Energy: 1.2763046479230273
Energy: 1.450305083688514
Energy: 1.2572506642007517
Energy: 1.3323138101656125
Energy: 1.5217128278217258
Energy: 1.3323138101674536
Energy: 1.2572506642016725
Energy: 1.3323138101674536
Energy: 1.338266914487822
Energy: 1.357516149785966
Energy: 1.2736174001884766
Energy: 1.357516149785966
Energy: 1.338266914487822
Energy: 1.357516149785966
Energy: 1.3793821234873198
Energy: 1.4713466117908218
Energy: 1.3140345298614666
Energy: 1.4713466117862184
Energy: 1.3793821234891612
Energy: 1.4713466117852978
Energy: 1.544733073183744
Energy: 1.4950170948290753
Energy: 1.544005177007623
Energy: 1.495017094827234
Energy: 1.544733073184665
Energy: 1.495017094828155
Energy: 1.325576846948311
Energy: 1.5288665818599316
Energy: 1.3806150649935496
Energy: 1.5288665818608524
Energy: 1.32557684694739
Energy: 1.5288665818608524
Energy: 1.273674604900375
Energy: 1.3792074603566873
Energy: 1.278508855439613
Energy: 1.379207460351163
Energy: 1.2736746049012957
Energy: 1.3792074603520836
Energy: 1.3267694994412325
Energy: 1.3995691744277199
Energy: 1.2589547006136912
Energy: 1.3995691744258782
Energy: 1.326769499442153
Energy: 1.3995691744258782
Energy: 1.329808515322185
Energy: 1.6672267568141221
Energy: 1.6445459652529248
Energy: 1.6672267568168841
Energy: 1.329808515322185
Energy: 1.6672267568159636

minimum gb energy = 1.2570580644600051 eV
minimum distance =  2.19682883411216 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.3692079998675
Energy: 1.3722952065591225
Energy: 1.8215720157021646
Energy: 1.3722952065607608
Energy: 1.3692079998658617
Energy: 1.3722952065607608
Energy: 1.3266464403232359
Energy: 1.3478699356580888
Energy: 1.3174121168682218
Energy: 1.3478699356580888
Energy: 1.326646440324874
Energy: 1.3478699356580888
Energy: 1.3164139853037968
Energy: 1.3772846685552353
Energy: 1.3157377694647954
Energy: 1.3772846685552353
Energy: 1.3164139853054353
Energy: 1.3772846685552353
Energy: 1.315929171595837
Energy: 1.6009710425205206
Energy: 1.3166574062469407
Energy: 1.6009710425205206
Energy: 1.3159291715974752
Energy: 1.6009710425205206
Energy: 1.3158373796001748
Energy: 1.3775870956785883
Energy: 1.3169170752798354
Energy: 1.3775870956785883
Energy: 1.3158373796018132
Energy: 1.3775870956785883
Energy: 1.3179235540664578
Energy: 1.348611036751826
Energy: 1.3267875790590447
Energy: 1.3486110367501878
Energy: 1.317923554068096
Energy: 1.3486110367501878
Energy: 1.8215720157021646
Energy: 1.3722952065607608
Energy: 1.3692079998675
Energy: 1.3722952065607608
Energy: 1.8215720157021646
Energy: 1.3722952065607608
Energy: 1.3174121168682218
Energy: 1.46629581047243
Energy: 1.3266464403232359
Energy: 1.4662958104707917
Energy: 1.3174121168682218
Energy: 1.4662958104707917
Energy: 1.3157377694647954
Energy: 1.3772846685552353
Energy: 1.3164139853021586
Energy: 1.3772846685552353
Energy: 1.3157377694647954
Energy: 1.3772846685568738
Energy: 1.3166574062453025
Energy: 1.4026933988850059
Energy: 1.315929171595837
Energy: 1.4026933988587915
Energy: 1.316657406243664
Energy: 1.402693399163382
Energy: 1.3169170752765587
Energy: 1.3775870956785883
Energy: 1.3158373796018132
Energy: 1.3775870956785883
Energy: 1.3169170752814736
Energy: 1.3775870956769498
Energy: 1.3267875790606831
Energy: 1.3486110367501878
Energy: 1.3179235540664578
Energy: 1.348611036751826
Energy: 1.32678757906396
Energy: 1.3486110367501878
Energy: 1.3692079998675
Energy: 1.3722952065607608
Energy: 1.6279247922330122
Energy: 1.3722952065591225
Energy: 1.3692079998658617
Energy: 1.3722952065607608
Energy: 1.326646440324874
Energy: 1.3717701676984413
Energy: 1.3174121168698603
Energy: 1.3717701676984413
Energy: 1.3266464403232359
Energy: 1.3717701676984413
Energy: 1.3164139853021586
Energy: 1.377284668553597
Energy: 1.3157377694664338
Energy: 1.3772846685552353
Energy: 1.3164139853021586
Energy: 1.3772846685552353
Energy: 1.3159291715941983
Energy: 1.4026934054519824
Energy: 1.316657406243664
Energy: 1.4026934046642923
Energy: 1.315929171595837
Energy: 1.4026934058384921
Energy: 1.3158373796001748
Energy: 1.3775870956785883
Energy: 1.3169170752798354
Energy: 1.3775870956785883
Energy: 1.3158373796001748
Energy: 1.3775870956785883

minimum gb energy = 1.3157377694647954 eV
minimum distance =  2.22036525475095 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.478475808908663
Energy: 1.4489777649065858
Energy: 1.7006608235939333
Energy: 1.4489777649079234
Energy: 1.4784758089180272
Energy: 1.4489777649092308
Energy: 1.3789719162990979
Energy: 1.4508736456597326
Energy: 1.3504830178314822
Energy: 1.4508736456650837
Energy: 1.3789719163004355
Energy: 1.4508736456610705
Energy: 1.3546754793703588
Energy: 1.4249799197418143
Energy: 1.3521488314503112
Energy: 1.4249799197391388
Energy: 1.354675479369021
Energy: 1.4249799197418143
Energy: 1.3537318138370746
Energy: 1.3507928108315597
Energy: 1.3879794856711407
Energy: 1.3507928108235332
Energy: 1.3537318138384122
Energy: 1.3507928108262088
Energy: 1.380928620818433
Energy: 1.4497410315324626
Energy: 1.3532085588597185
Energy: 1.4497410315284496
Energy: 1.380928620818433
Energy: 1.4497410315284496
Energy: 1.3584129810087289
Energy: 1.3546154798971266
Energy: 1.5713896883382847
Energy: 1.354615479894451
Energy: 1.3584129810087289
Energy: 1.3546154798931132
Energy: 1.357418254000227
Energy: 1.423509192091044
Energy: 1.3539269835151242
Energy: 1.4235091920897063
Energy: 1.357418254001565
Energy: 1.4235091920897063
Energy: 1.4046119152954681
Energy: 1.4943374564481384
Energy: 1.3581820272101859
Energy: 1.4943374564534893
Energy: 1.4046119152968057
Energy: 1.4943374564534893
Energy: 1.4006256722290795
Energy: 1.4215102364280454
Energy: 1.36737366902504
Energy: 1.4215102364320586
Energy: 1.4006256722264037
Energy: 1.4215102364307206
Energy: 1.3565768056229
Energy: 1.4653080053363285
Energy: 1.352317782060538
Energy: 1.4653080053416798
Energy: 1.3565768056242378
Energy: 1.4653080053416798
Energy: 1.3570311448530896
Energy: 1.3666694753112694
Energy: 1.3869883770806397
Energy: 1.3666694753099318
Energy: 1.3570311448530896
Energy: 1.3666694753072561
Energy: 1.353794450806997
Energy: 1.4261703458950066
Energy: 1.4197255673256302
Energy: 1.4261703458923312
Energy: 1.3537944508056592
Energy: 1.4261703458923312
Energy: 1.3562117455021665
Energy: 1.4281000582073502
Energy: 1.4078124995363765
Energy: 1.4281000582060124
Energy: 1.3562117455021665
Energy: 1.4281000582046746
Energy: 1.3539635623006698
Energy: 1.3515729823731701
Energy: 1.3648616210505702
Energy: 1.3515729823798588
Energy: 1.3539635623006698
Energy: 1.3515729823798588
Energy: 1.548645350787629
Energy: 1.4648397233495138
Energy: 1.3661957168900078
Energy: 1.4648397233495138
Energy: 1.548645350787629
Energy: 1.4648397233495138
Energy: 1.4045796401257857
Energy: 1.4218730586298658
Energy: 1.397272156412879
Energy: 1.421873058628528
Energy: 1.4045796401257857
Energy: 1.4218730586298658
Energy: 1.402843537800114
Energy: 1.4214285502306359
Energy: 1.3886575334293332
Energy: 1.4214285502292983
Energy: 1.4028435378027895
Energy: 1.4214285502292983
Energy: 1.4610897676203654
Energy: 1.4664388668985546
Energy: 1.3533992840963607
Energy: 1.466438866899892
Energy: 1.461089767623041
Energy: 1.466438866899892
Energy: 1.3566191749814736
Energy: 1.353052863601175
Energy: 1.3673353176338778
Energy: 1.3530528636051877
Energy: 1.3566191749814736
Energy: 1.3530528636051877
Energy: 1.3541734284511846
Energy: 1.4497842657389373
Energy: 1.3532188180677838
Energy: 1.4497842657389373
Energy: 1.3541734284511846
Energy: 1.4497842657389373
Energy: 1.3566078169659666
Energy: 1.3509216863946942
Energy: 1.391069556669188
Energy: 1.350921686390681
Energy: 1.356607816967304
Energy: 1.3509216863880056

minimum gb energy = 1.3504830178314822 eV
minimum distance =  2.22219556432162 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5152656202704917
Energy: 1.5925825032458458
Energy: 1.5440473731117415
Energy: 1.592582503242463
Energy: 1.5152656202704917
Energy: 1.592582503242463
Energy: 1.4352398847457142
Energy: 1.4488689325565642
Energy: 1.3878147028884262
Energy: 1.4488689325159705
Energy: 1.4352398847445864
Energy: 1.4488689324956987
Energy: 1.3564695788515637
Energy: 1.47040557838515
Energy: 1.3878444018493286
Energy: 1.4704055783783845
Energy: 1.3564695788515637
Energy: 1.4704055783806398
Energy: 1.3845853850541057
Energy: 1.4084838373527506
Energy: 1.421612968500058
Energy: 1.4084838373504953
Energy: 1.3845853850541057
Energy: 1.4084838373504953
Energy: 1.3326116695953654
Energy: 1.4732493807863005
Energy: 1.3531267820312594
Energy: 1.4732493807885556
Energy: 1.3326116695942376
Energy: 1.4732493807570082
Energy: 1.3790970319504352
Energy: 1.3753990887036205
Energy: 1.3650109305868416
Energy: 1.375399088701365
Energy: 1.3790970319493077
Energy: 1.3753990887036205
Energy: 1.3607100488914243
Energy: 1.3920944637003543
Energy: 1.3725317939052082
Energy: 1.3920944637003543
Energy: 1.3607100488914243
Energy: 1.3920944637014816
Energy: 1.360312342555935
Energy: 1.4278594425093214
Energy: 1.3721431889033882
Energy: 1.4278594425081939
Energy: 1.360312342555935
Energy: 1.4278594425081939
Energy: 1.4482373075700383
Energy: 1.415817371689596
Energy: 1.4322064292873575
Energy: 1.415817371687341
Energy: 1.4482373075700383
Energy: 1.4158173716884686
Energy: 1.376435512750077
Energy: 1.499924174664351
Energy: 1.4053329858500963
Energy: 1.4999241746880307
Energy: 1.376435512750077
Energy: 1.499924174686903
Energy: 1.3604053048523341
Energy: 1.459489206410974
Energy: 1.4054059779873798
Energy: 1.4594892064121014
Energy: 1.3604053048523341
Energy: 1.4594892064121014
Energy: 1.4481358100319097
Energy: 1.415576702530322
Energy: 1.3635306367821718
Energy: 1.415576702528067
Energy: 1.4481358100330373
Energy: 1.4155767025291943
Energy: 1.3766837157929572
Energy: 1.502437461650448
Energy: 1.3719431262262438
Energy: 1.5024374616515754
Energy: 1.3766837157929572
Energy: 1.502437461652703
Energy: 1.3570776323287086
Energy: 1.4490703634306172
Energy: 1.3724196953133168
Energy: 1.4490703634317448
Energy: 1.3570776323287086
Energy: 1.4490703634306172
Energy: 1.386594268367664
Energy: 1.3757670214579334
Energy: 1.3648333209304175
Energy: 1.3757670214579334
Energy: 1.386594268367664
Energy: 1.3757670214579334
Energy: 1.332498093140568
Energy: 1.473249380785173
Energy: 1.3503353943793248
Energy: 1.4732493807806624
Energy: 1.332498093140568
Energy: 1.4732493807795348
Energy: 1.384668508826571
Energy: 1.4073882398722375
Energy: 1.3730577076811914
Energy: 1.407388239873365
Energy: 1.3846685088254438
Energy: 1.407388239873365
Energy: 1.372592462530378
Energy: 1.4808997756455609
Energy: 1.3880154824461932
Energy: 1.4808997756455609
Energy: 1.372592462530378
Energy: 1.4808997756466886
Energy: 1.3987900692247268
Energy: 1.574717403422537
Energy: 1.3877003741075953
Energy: 1.574717403422537
Energy: 1.3987900692247268
Energy: 1.5747174034214093
Energy: 1.515265620269364
Energy: 1.5925825032458458
Energy: 1.5451928692034191
Energy: 1.5925825032435907
Energy: 1.515265620269364
Energy: 1.5925825032435907
Energy: 1.4352398847445864
Energy: 1.4488689325441606
Energy: 1.3878147028906813
Energy: 1.4488689325666873
Energy: 1.4352398847445864
Energy: 1.4488689325599218
Energy: 1.3564695788526915
Energy: 1.47040557838515
Energy: 1.387844401851584
Energy: 1.470405578396426
Energy: 1.3564695788515637
Energy: 1.4704055783862777
Energy: 1.3845853850552334
Energy: 1.4084838373527506
Energy: 1.4216129684989305
Energy: 1.408483837351623
Energy: 1.384585385056361
Energy: 1.4084838373504953
Energy: 1.3326116695942376
Energy: 1.4732493807536253
Energy: 1.3531267820312594
Energy: 1.473249380761493
Energy: 1.3326116695942376
Energy: 1.4732493807581104
Energy: 1.3790970319504352
Energy: 1.3753990887036205
Energy: 1.3650109305868416
Energy: 1.3753990887002376
Energy: 1.3790970319493077
Energy: 1.3753990886991099

minimum gb energy = 1.332498093140568 eV
minimum distance =  2.2242062350639 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.5383755047144692
Energy: 1.323213448683364
Energy: 1.5685235412732814
Energy: 1.3232134486843372
Energy: 1.5383755047134955
Energy: 1.3232134486823905
Energy: 1.3869890465447872
Energy: 1.4160717913460632
Energy: 1.2869810206906829
Energy: 1.41607179134509
Energy: 1.386989046543814
Energy: 1.41607179134509
Energy: 1.289136643087585
Energy: 1.4136608095434726
Energy: 1.2870774412198562
Energy: 1.4136608095444458
Energy: 1.289136643087585
Energy: 1.4136608095444458
Energy: 1.3218498629005817
Energy: 1.4315682465567339
Energy: 1.3456471790052023
Energy: 1.4315682465586805
Energy: 1.3218498629005817
Energy: 1.4315682465586805
Energy: 1.314310434775733
Energy: 1.3341451733344576
Energy: 1.3151719871487562
Energy: 1.3341451733373773
Energy: 1.314310434775733
Energy: 1.334145173335431
Energy: 1.3028245684049864
Energy: 1.3867052751772786
Energy: 1.3160637271164644
Energy: 1.386705275178252
Energy: 1.3028245684049864
Energy: 1.3867052751772786
Energy: 1.3009776040631098
Energy: 1.3789113926077599
Energy: 1.3028308240988762
Energy: 1.3789113926058132
Energy: 1.3009776040631098
Energy: 1.3789113926058132
Energy: 1.2968034058820592
Energy: 1.3386742972850714
Energy: 1.316242567259479
Energy: 1.3386742972860448
Energy: 1.2968034058820592
Energy: 1.3386742972860448
Energy: 1.3218430791631384
Energy: 1.3901542012548511
Energy: 1.3444604877329913
Energy: 1.390154201256798
Energy: 1.3218430791631384
Energy: 1.390154201256798
Energy: 1.3136091034968758
Energy: 1.4979021801853634
Energy: 1.2872134908203057
Energy: 1.4979021801843897
Energy: 1.3136091034959023
Energy: 1.4979021801843897
Energy: 1.2876887630393856
Energy: 1.4285286329685527
Energy: 1.2870478333223472
Energy: 1.428528632972446
Energy: 1.2876887630384124
Energy: 1.4285286329714726
Energy: 1.3133243169029702
Energy: 1.4718560656949053
Energy: 1.3334303960126148
Energy: 1.4718560657143722
Energy: 1.3133243169039435
Energy: 1.4718560657104787
Energy: 1.3135969624469046
Energy: 1.452582106008175
Energy: 1.331015073627003
Energy: 1.452582105943956
Energy: 1.3135969624459312
Energy: 1.45258210599165
Energy: 1.3080261401668414
Energy: 1.4295409108201795
Energy: 1.4259381261642587
Energy: 1.4295409108201795
Energy: 1.3080261401668414
Energy: 1.4295409108201795
Energy: 1.32155035386025
Energy: 1.4571328208959364
Energy: 1.3337706219652699
Energy: 1.457132820894963
Energy: 1.3215503538592768
Energy: 1.457132820894963
Energy: 1.3229950459676432
Energy: 1.333837631191702
Energy: 1.2727932712806556
Energy: 1.3338376311936486
Energy: 1.3229950459686164
Energy: 1.333837631192675
Energy: 1.2892446404654032
Energy: 1.3380541554312089
Energy: 1.304373055456476
Energy: 1.338054155432182
Energy: 1.2892446404654032
Energy: 1.338054155432182
Energy: 1.2992732879940267
Energy: 1.4491277195694288
Energy: 1.2708285042468237
Energy: 1.4491277195723489
Energy: 1.2992732879930535
Energy: 1.4491277195723489
Energy: 1.2894650820365836
Energy: 1.338080081996056
Energy: 1.3044680500739743
Energy: 1.3380800819970298
Energy: 1.2894650820375573
Energy: 1.3380800819970298
Energy: 1.3229903450389515
Energy: 1.3903964882484987
Energy: 1.3031671564823826
Energy: 1.3903964882514186
Energy: 1.3229903450389515
Energy: 1.3903964882504454
Energy: 1.3215581223128683
Energy: 1.4323371502168045
Energy: 1.2873723282600351
Energy: 1.4323371502148576
Energy: 1.321558122313842
Energy: 1.4323371502148576
Energy: 1.3109210266363405
Energy: 1.3957054052230997
Energy: 1.4269412447552765
Energy: 1.3957054052240734
Energy: 1.3109210266363405
Energy: 1.3957054052230997
Energy: 1.3848491237036809
Energy: 1.475703383562595
Energy: 1.2877148639980651
Energy: 1.475703383562595
Energy: 1.3848491237027074
Energy: 1.475703383562595
Energy: 1.3425832130598037
Energy: 1.461653460723922
Energy: 1.2874921700715583
Energy: 1.4616534607277933
Energy: 1.3425832130598037
Energy: 1.4616534607258687
Energy: 1.3929600031703209
Energy: 1.4294512172424678
Energy: 1.286975703104586
Energy: 1.4294512172405212
Energy: 1.3929600031703209
Energy: 1.4294512172414942
Energy: 1.3222299542041678
Energy: 1.4993787414427382
Energy: 1.2884207067143394
Energy: 1.4993787414437114
Energy: 1.3222299542031946
Energy: 1.4993787414437114
Energy: 1.3221012982922866
Energy: 1.4038958088986249
Energy: 1.3338053980626854
Energy: 1.4038958088986249
Energy: 1.3221012982922866
Energy: 1.403895808899598
Energy: 1.2956965456526217
Energy: 1.3384688948798722
Energy: 1.3159381172884204
Energy: 1.3384688948808456
Energy: 1.2956965456526217
Energy: 1.3384688948808456
Energy: 1.3012121417481297
Energy: 1.3715141344295259
Energy: 1.310372989972046
Energy: 1.371514134430499
Energy: 1.301212141749103
Energy: 1.371514134430499

minimum gb energy = 1.2708285042468237 eV
minimum distance =  2.20888571379273 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.4628642232350635
Energy: 1.3426692230259742
Energy: 1.4224044146766917
Energy: 1.342669223024263
Energy: 1.4628642232333522
Energy: 1.342669223024263
Energy: 1.246907039570265
Energy: 1.3455949061972354
Energy: 1.2484450123359472
Energy: 1.3455949061339196
Energy: 1.2469070395694093
Energy: 1.3455949062015133
Energy: 1.2313287564454434
Energy: 1.3536037732504247
Energy: 1.2468533668789221
Energy: 1.3536037732504247
Energy: 1.2313287564445878
Energy: 1.3536037732495694
Energy: 1.2647940467619405
Energy: 1.3100044855880848
Energy: 1.255001347404031
Energy: 1.3100044855880848
Energy: 1.2647940467602294
Energy: 1.3100044855880848
Energy: 1.2202280168909323
Energy: 1.2929775144966391
Energy: 1.2315513188178473
Energy: 1.2929775144966391
Energy: 1.2202280168917878
Energy: 1.2929775144974947
Energy: 1.2341403530288506
Energy: 1.35856910435217
Energy: 1.2193925436226356
Energy: 1.3585691043513144
Energy: 1.2341403530288506
Energy: 1.35856910435217
Energy: 1.2315407448364728
Energy: 1.36688851723731
Energy: 1.2200924201347736
Energy: 1.366888517182589
Energy: 1.2315407448364728
Energy: 1.3668885172201977
Energy: 1.2309156007247033
Energy: 1.3678530520250318
Energy: 1.2310120084830989
Energy: 1.3678530520250318
Energy: 1.230915600722992
Energy: 1.3678530520250318
Energy: 1.2199065398794002
Energy: 1.333189218401672
Energy: 1.2315942086624525
Energy: 1.333189218401672
Energy: 1.2199065398794002
Energy: 1.333189218401672
Energy: 1.2194761151607076
Energy: 1.321284408876826
Energy: 1.2201791338970767
Energy: 1.3212844088776816
Energy: 1.2194761151632745
Energy: 1.3212844088776816
Energy: 1.2792406500165117
Energy: 1.3105053683604415
Energy: 1.299466323516845
Energy: 1.3105053683587302
Energy: 1.2792406500173674
Energy: 1.3105053683578747
Energy: 1.2481752091388512
Energy: 1.3526687204501522
Energy: 1.2193730134171423
Energy: 1.352668720457853
Energy: 1.2481752091388512
Energy: 1.3526687204475853
Energy: 1.2740287337742198
Energy: 1.354033477506295
Energy: 1.2642332259180016
Energy: 1.3540334775054392
Energy: 1.2740287337742198
Energy: 1.354033477504584
Energy: 1.2711708962151547
Energy: 1.2496886239291651
Energy: 1.2463896368010592
Energy: 1.2496886239342602
Energy: 1.2711708962142987
Energy: 1.283549114867788
Energy: 1.2271745499944753
Energy: 1.536342351058159
Energy: 1.2470159878325278
Energy: 1.5363423510573035
Energy: 1.2271745499944753
Energy: 1.536342351058159
Energy: 1.2915437247524433
Energy: 1.3538078134693334
Energy: 1.2304175559296489
Energy: 1.353807813468478
Energy: 1.2915437247524433
Energy: 1.3538078134693334
Energy: 1.2204054927636359
Energy: 1.3621719484158055
Energy: 1.2644721029726282
Energy: 1.362171948419228
Energy: 1.2204054927644914
Energy: 1.3621719484209394
Energy: 1.2310921869086398
Energy: 1.2935442888922963
Energy: 1.2200794785696403
Energy: 1.2935442888922963
Energy: 1.231092186909495
Energy: 1.2935442888922963
Energy: 1.229518824450366
Energy: 1.3199291349159366
Energy: 1.2331491787605449
Energy: 1.3199291349159366
Energy: 1.22951882444951
Energy: 1.3199291349150808
Energy: 1.2201472779517486
Energy: 1.4393744700855045
Energy: 1.219560538369719
Energy: 1.4393744700855045
Energy: 1.2201472779526041
Energy: 1.4393744700855045
Energy: 1.2420390791589904
Energy: 1.2927833214828721
Energy: 1.231802496044967
Energy: 1.2927833214837277
Energy: 1.2420390791581348
Energy: 1.2927833214837277
Energy: 1.219589361675873
Energy: 1.3192255951608212
Energy: 1.2194357655365322
Energy: 1.319225595167666
Energy: 1.219589361675873
Energy: 1.3192255951480256
Energy: 1.2316216138693312
Energy: 1.3203681535542522
Energy: 1.2199160371263018
Energy: 1.3203681535542522
Energy: 1.2316216138693312
Energy: 1.3203681535533967
Energy: 1.2642412823615337
Energy: 1.3635451549384494
Energy: 1.2783036896812539
Energy: 1.389916127221974
Energy: 1.2642412823623892
Energy: 1.363545154941872
Energy: 1.220183480617197
Energy: 1.4656064760952485
Energy: 1.229673579023676
Energy: 1.46560647609696
Energy: 1.220183480617197
Energy: 1.4656064760961043
Energy: 1.2455260375434494
Energy: 1.353397178984417
Energy: 1.2908793560915184
Energy: 1.3533971789852726
Energy: 1.2455260375434494
Energy: 1.3533971789835613
Energy: 1.246566094233202
Energy: 1.4129447185942756
Energy: 1.2196537698166865
Energy: 1.412944718662686
Energy: 1.246566094232346
Energy: 1.4129447190244568
Energy: 1.2476387636352857
Energy: 1.5467868630064028
Energy: 1.2200479688930885
Energy: 1.546786863008114
Energy: 1.2476387636352857
Energy: 1.5467868630072585
Energy: 1.3343316217643655
Energy: 1.4242337704256336
Energy: 1.3536770650994807
Energy: 1.424233770427345
Energy: 1.3343316217652212
Energy: 1.424233770427345
Energy: 1.2195460724804206
Energy: 1.392600694823378
Energy: 1.2200547954572696
Energy: 1.3926006948268002
Energy: 1.2195460724812763
Energy: 1.3926006948225222
Energy: 1.2640755691219547
Energy: 1.3633789090933455
Energy: 1.2322788905711621
Energy: 1.3633789090933455
Energy: 1.2640755691210992
Energy: 1.3633789090933455
Energy: 1.2454589003567764
Energy: 1.3198977332354427
Energy: 1.2193642334028334
Energy: 1.3198977332354427
Energy: 1.2454589003559207
Energy: 1.3198977332354427
Energy: 1.2200708679198473
Energy: 1.419079552790152
Energy: 1.23140357330312
Energy: 1.419079552788441
Energy: 1.2200708679198473
Energy: 1.419079552788441

minimum gb energy = 1.2193642334028334 eV
minimum distance =  2.23204787486834 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014073973154912755
Energy: 0.015233804145515515
Energy: 1.3783923475175752
Energy: 0.01523380414480461
Energy: 0.014073973154912755
Energy: 0.015233804146226418
Energy: 0.014175819948372304
Energy: 0.6657135612185633
Energy: 0.014175819948372304
Energy: 0.6657135612185633
Energy: 0.014175819948372304
Energy: 0.6657135612192544
Energy: 1.3783923475161928
Energy: 0.015233804146226418
Energy: 0.014073973154912755
Energy: 0.015233804145515515
Energy: 1.3783923475154818
Energy: 0.015233804145515515
Energy: 0.014175819948372304
Energy: 0.6657135612192544
Energy: 0.014175819948372304
Energy: 0.6657135612178524
Energy: 0.014175819948372304
Energy: 0.6657135612178524

minimum gb energy = 0.014073973154912755 eV
minimum distance =  2.41048131232401 Angstroms
sigma value = 1