Model name: model_name=Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248
cohesive_energy=4.242432836593572
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: 0.01643193730592131
Energy: 1.2126445573255789
Energy: 0.01643193730592131
Energy: 1.2126445573255789
Energy: 0.016431937306235597
Energy: 1.2126445573252647
Energy: 1.2126445573252647
Energy: 1.1042994582071006
Energy: 1.2126445573258582
Energy: 1.1487177205667851
Energy: 1.2126445573255789
Energy: 1.1487177205667851
Energy: 0.016431937306235597
Energy: 1.2126445573255789
Energy: 0.01643193730592131
Energy: 1.2126445573255789
Energy: 0.016431937306235597
Energy: 1.2126445573255789
Energy: 1.2126445573252647
Energy: 1.1487177205667851
Energy: 1.2126445573252647
Energy: 1.1487177205658772
Energy: 1.2126445573252647
Energy: 1.1487177205667851
Energy: 0.016431937306235597
Energy: 1.2126445573255789
Energy: 0.01643193730592131
Energy: 1.2126445573255789
Energy: 0.016431937306235597
Energy: 1.2126445573252647
Energy: 1.2126445573252647
Energy: 1.1487177205652486
Energy: 1.2126445573252647
Energy: 1.1487177205674135
Energy: 1.2126445573252647
Energy: 1.1487177205655628

minimum gb energy = 0.01643193730592131 eV
minimum distance =  2.39998202594302 Angstroms
sigma value = 1


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

Energy: 1.1933665211184792
Energy: 1.0226932302995126
Energy: 1.1933665211184792
Energy: 1.0226932303002692
Energy: 1.193366521119236
Energy: 1.0226932302995126
Energy: 1.3579071734677288
Energy: 0.9243952308047907
Energy: 1.3579071734684853
Energy: 0.9243952308047907
Energy: 1.3579071734699983
Energy: 0.9243952308047907
Energy: 1.128973562616884
Energy: 1.0784512294766126
Energy: 1.0680263973588247
Energy: 1.0784512294275073
Energy: 1.1289735626161272
Energy: 1.0784512293730373
Energy: 1.193065808565221
Energy: 1.0020162040297524
Energy: 1.1930658085614383
Energy: 1.002016204028996
Energy: 1.1930658085516035
Energy: 1.0020162040297524
Energy: 1.0785423783996717
Energy: 1.1379577126724574
Energy: 1.0785423783989152
Energy: 1.1379577126717009
Energy: 1.0785423783996717
Energy: 1.1379577126724574
Energy: 1.113698905191007
Energy: 0.9918463687941659
Energy: 1.1136989051917636
Energy: 0.9918463687941659
Energy: 1.113698905191007
Energy: 0.9918463687941659
Energy: 1.0798188813582943
Energy: 1.1441625538940754
Energy: 1.0798188812335363
Energy: 1.1441625538895364
Energy: 1.071313200237984
Energy: 1.1441625538842406
Energy: 1.004406990401461
Energy: 1.2399778449513235
Energy: 1.004406990399948
Energy: 1.23997784495208
Energy: 1.004406990399948
Energy: 1.23997784495208
Energy: 1.1381983733135772
Energy: 1.1452134922021155
Energy: 1.1381983733120642
Energy: 1.1452134922021155
Energy: 1.1381983733128207
Energy: 1.1452134922006023
Energy: 0.9215954829643669
Energy: 1.2243856122925985
Energy: 0.9215954829643669
Energy: 0.6377829067620889
Energy: 0.9215954829643669
Energy: 0.6376617910449677
Energy: 1.1033956396592701
Energy: 0.9908144852715696
Energy: 0.5918206047067928
Energy: 0.9908144852700566
Energy: 0.5920282215013556
Energy: 0.9908144852700566
Energy: 0.8731213358803456
Energy: 1.1495269981223368
Energy: 0.8731213358803456
Energy: 1.149526940568015
Energy: 0.873121335881102
Energy: 1.149526839549382
Energy: 1.2333832296753122
Energy: 0.8604535327444655
Energy: 1.233383229677582
Energy: 0.8604535327444655
Energy: 1.2333832296760687
Energy: 0.8604535327444655
Energy: 1.003651188941067
Energy: 1.0850775711373981
Energy: 1.0036511889387973
Energy: 1.085077570065883
Energy: 1.0036511889387973
Energy: 1.0850775681300717
Energy: 1.2973963700834132
Energy: 0.9260533365513339
Energy: 1.2973963698785325
Energy: 0.9260533365513339
Energy: 1.2973963692758568
Energy: 0.9260533365513339
Energy: 1.3227524288269001
Energy: 1.1326420020318062
Energy: 1.3227524288269001
Energy: 1.1326420020310497
Energy: 1.3227524288261434
Energy: 1.1326420020340757
Energy: 1.1293688700628408
Energy: 1.0829109383782787
Energy: 1.1293688700635973
Energy: 1.0829109383767654
Energy: 1.1293688700613278
Energy: 1.082910938376009
Energy: 1.1284379643008347
Energy: 1.0305302914098222
Energy: 1.1284379642962956
Energy: 1.0305302914098222
Energy: 1.1284379642909999
Energy: 1.0305302914098222
Energy: 1.0190271493534102
Energy: 1.0022558723671535
Energy: 1.0190271493534102
Energy: 1.0022558719520274
Energy: 1.0030458161608424
Energy: 1.00225587147184
Energy: 1.0998653367495068
Energy: 0.9914915396187534
Energy: 1.099865336747237
Energy: 0.991491539621023
Energy: 1.0998653367449676
Energy: 0.9914915396202665
Energy: 0.9411931665621716
Energy: 1.2163577355099426
Energy: 0.9411931665629281
Energy: 1.2163577355084296
Energy: 0.9411931665636846
Energy: 1.216357735507673
Energy: 1.1397932577260028
Energy: 1.1458919995508636
Energy: 1.1397932577237333
Energy: 1.1458919995508636
Energy: 1.1397932577237333
Energy: 1.1458919995516204
Energy: 0.8873496362910895
Energy: 1.427492858560554
Energy: 0.9658303450718693
Energy: 1.427492858560554
Energy: 0.9054533083364875
Energy: 1.4274928585613103

minimum gb energy = 0.5918206047067928 eV
minimum distance =  2.33661455016999 Angstroms
sigma value = 33


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

Energy: 1.3834241526990139
Energy: 1.166588975528989
Energy: 1.3211506579347787
Energy: 1.166588975528989
Energy: 1.3834241526968625
Energy: 1.1665889755276981
Energy: 1.3041470843857368
Energy: 1.0383125378852198
Energy: 1.304143887268804
Energy: 1.03831253788565
Energy: 1.3041337392740258
Energy: 1.0383125378852198
Energy: 1.022371780185189
Energy: 0.8003202815994742
Energy: 1.0223717801843284
Energy: 0.7997422639102117
Energy: 1.022371780185189
Energy: 0.7997332265522202
Energy: 1.2023386695199567
Energy: 1.0965372978008372
Energy: 1.2023386695182354
Energy: 1.0965366376098082
Energy: 1.2023386695186657
Energy: 1.0965356086119844
Energy: 1.1543534597100895
Energy: 1.0956751562215785
Energy: 1.1543534597087988
Energy: 1.0956751562189968
Energy: 1.1543534597092289
Energy: 1.0956751562185663
Energy: 0.9657563128089761
Energy: 0.48178776117903555
Energy: 0.9657563128063942
Energy: 0.48248766749988126
Energy: 0.9657563128059639
Energy: 0.4818599579494241
Energy: 1.1992589113736025
Energy: 0.6068544996114372
Energy: 1.1996307619715534
Energy: 0.60544054875841
Energy: 1.1992498381876548
Energy: 0.6069202655896914
Energy: 0.9033244091144292
Energy: 1.352427673493916
Energy: 0.903467963207432
Energy: 1.3524276734930554
Energy: 0.9033244091135688
Energy: 1.352427673492625
Energy: 1.085562395176446
Energy: 1.0230791614322674
Energy: 1.085562395176876
Energy: 1.023079161432698
Energy: 1.0855623951760156
Energy: 1.023079161432698
Energy: 0.9796859276441356
Energy: 1.3056875882987302
Energy: 0.9796856076978692
Energy: 1.3056875859648907
Energy: 0.9796859276428449
Energy: 1.305687583083972
Energy: 1.2405418374550088
Energy: 0.9797002483768538
Energy: 1.2405418374554393
Energy: 0.9797002483764236
Energy: 1.2405418374554393
Energy: 0.9797002483772841
Energy: 1.025035119746294
Energy: 1.0129588650292085
Energy: 1.0250319187763748
Energy: 1.0129588218763377
Energy: 1.0250351197458638
Energy: 1.0129587706131595
Energy: 0.5522479808966338
Energy: 0.9247513485266319
Energy: 0.6710808678691312
Energy: 0.9247513485266319
Energy: 0.624310616417794
Energy: 0.9247513485262016
Energy: 1.3239622673119773
Energy: 1.3273364740636497
Energy: 1.3239622673119773
Energy: 1.327336474062789
Energy: 1.3239622673115474
Energy: 1.3273364740632196
Energy: 1.202104163153636
Energy: 1.037154838829062
Energy: 1.202104163153636
Energy: 1.03715483882648
Energy: 1.2021041631519145
Energy: 1.037154838827771
Energy: 1.0200581191367688
Energy: 1.0373890818641642
Energy: 1.0200581191367688
Energy: 1.0373890818645948
Energy: 1.0200581191350473
Energy: 1.0373890818637341
Energy: 1.2031014777351423
Energy: 1.098150791711724
Energy: 1.2031014777360032
Energy: 1.098150791711724
Energy: 1.2031014777355729
Energy: 1.098150791712154
Energy: 1.175253555185521
Energy: 0.544609691489448
Energy: 1.1752535551498053
Energy: 0.5446096484522519
Energy: 1.1752535550448489
Energy: 0.5446097094670922
Energy: 0.9635625844532242
Energy: 0.3952071297452075
Energy: 0.9635625844532242
Energy: 0.3952070599977158
Energy: 0.9635625844536544
Energy: 0.3952071796466142
Energy: 1.2023096087564433
Energy: 0.8040534984103417
Energy: 1.2025491617040922
Energy: 0.7080622327150978
Energy: 1.202309608757734
Energy: 0.8042969579153236
Energy: 0.9034052112491701
Energy: -0.8601232666811911
Energy: 0.9035303357212304
Energy: 0.6976141055470505
Energy: 0.9034052112491701
Energy: 0.6953740233596923
Energy: 1.0858298773757113
Energy: 1.0225913196645195
Energy: 1.085829877377002
Energy: 1.0225913196636591
Energy: 1.0858298773774326
Energy: 1.0225913196640897
Energy: 0.9835034484300588
Energy: 0.1582188006819124
Energy: 0.9832172760908194
Energy: 0.14940339458160845
Energy: 0.9835034484300588
Energy: 0.14891627968611681
Energy: 1.226835492257528
Energy: 1.1553768394997534
Energy: 1.226835492257958
Energy: 1.1553768395001838
Energy: 1.2268354922570976
Energy: 1.155376839500614
Energy: 1.0225791814100083
Energy: 0.9771471580477515
Energy: 1.022482768594329
Energy: 0.9771471580326907
Energy: 1.0225791814104388
Energy: 0.9771471580155174
Energy: 1.3628704016121636
Energy: 1.1731023275486914
Energy: 1.3135774648455172
Energy: 1.1731023275486914
Energy: 1.3628704016117332
Energy: 1.1731023275478305
Energy: 1.3667786910109554
Energy: 1.2239395978240033
Energy: 1.3110302453110543
Energy: 1.2239395978240033
Energy: 1.3667786910126767
Energy: 1.223939597824864
Energy: 1.0204664929254763
Energy: 1.08766367869682
Energy: 1.0204664929263372
Energy: 1.0876636786976808
Energy: 1.0204664929259066
Energy: 1.08766367869682
Energy: 1.3314605361610403
Energy: 1.0384048048737005
Energy: 1.331460536161901
Energy: 1.0384048048737005
Energy: 1.3314605361588887
Energy: 1.0384048048741308
Energy: 0.9836894789089887
Energy: 1.223646962611335
Energy: 0.9836894789085584
Energy: 1.223646962611335
Energy: 0.9836894789085584
Energy: 1.2236469626104747
Energy: 1.228984476514286
Energy: 1.0235272706580156
Energy: 1.228984476515577
Energy: 1.0235272706580156
Energy: 1.228984476515147
Energy: 1.0235272706580156
Energy: 0.9267114676906086
Energy: 0.6849921665426044
Energy: 0.9267114676906086
Energy: 0.6280296286395834
Energy: 0.9267114676906086
Energy: 0.6823526198199429
Energy: 1.2009706717256907
Energy: 1.315243468662872
Energy: 1.1998945770731175
Energy: 1.3152434686633023
Energy: 1.20097067172483
Energy: 1.315243468662872
Energy: 1.038392821269772
Energy: 1.2019543849694516
Energy: 1.038392821268481
Energy: 1.2019543849569727
Energy: 1.0383928212693414
Energy: 1.2019543849414815
Energy: 1.0596107297776867
Energy: 1.0200928256521657
Energy: 1.0596107297759658
Energy: 1.0200928256530264
Energy: 1.0596107297768262
Energy: 1.0200928256504445
Energy: 1.0975022672409092
Energy: 1.2021125312306342
Energy: 1.0975022667897496
Energy: 1.2021125312293433
Energy: 1.0975022653707862
Energy: 1.2021125312284828
Energy: 1.0202373951933839
Energy: 1.1533546717601428
Energy: 1.0202746921177095
Energy: 1.153354671662971
Energy: 1.0202373951925232
Energy: 1.153354671513263
Energy: 1.0638173872221894
Energy: 0.9717329695080911
Energy: 1.0638173872213288
Energy: 0.9717329695080911
Energy: 1.0638173872204684
Energy: 0.9717329695076609
Energy: 1.3242247329657943
Energy: 1.166970459934213
Energy: 1.324224732966655
Energy: 1.1669692271452645
Energy: 1.3242247329662244
Energy: 1.1669672460491565
Energy: 1.3196786767661852
Energy: 0.8630417738135703
Energy: 1.3196784748628259
Energy: 0.8630417738131402
Energy: 1.3196776591187778
Energy: 0.8630417738131402
Energy: 1.0247025906661296
Energy: 0.9288310808987279
Energy: 1.0247025906665599
Energy: 0.9288310808991583
Energy: 1.0247025906665599
Energy: 0.9288310808991583

minimum gb energy = -0.8601232666811911 eV
minimum distance =  2.37319571199257 Angstroms
sigma value = 51


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

Energy: 1.1370948568185502
Energy: 1.1190945420638452
Energy: 1.1370948568175532
Energy: 1.1190945420628482
Energy: 1.1370948568175532
Energy: 1.1190945420628482
Energy: 1.1729735191088084
Energy: 1.0026256162422256
Energy: 1.172963460477299
Energy: 1.0026256162422256
Energy: 1.172667716970935
Energy: 1.0026256162422256
Energy: 1.068264403228621
Energy: 1.0562046236981817
Energy: 1.06826440323057
Energy: 0.5542589785417352
Energy: 1.06826440323057
Energy: 1.0561951100088967
Energy: 1.0773480544055645
Energy: 0.887944358400196
Energy: 1.0773480544045675
Energy: 0.887944358400196
Energy: 1.0773480544035703
Energy: 0.887944358400196
Energy: 1.1138818325565891
Energy: 1.0864764804877038
Energy: 1.113881832557586
Energy: 1.0864764804867066
Energy: 1.113881832557586
Energy: 1.0864764804867066
Energy: 1.142782925177519
Energy: 1.086759276721565
Energy: 1.142782925177519
Energy: 1.0867592767225622
Energy: 1.142782925177519
Energy: 1.0867592767225622
Energy: 0.9628104657978845
Energy: 1.0938192039695729
Energy: 0.9628104657988815
Energy: 1.0938192039695729
Energy: 0.9628104657988815
Energy: 1.0938192039705699
Energy: 0.98966410856469
Energy: 1.0867212417107144
Energy: 0.9896641085656872
Energy: 1.0867212417087204
Energy: 0.9896641085656872
Energy: 1.0867212417077232
Energy: 1.2556501553149761
Energy: 0.8836890711566076
Energy: 1.2556501544090932
Energy: 0.8836890711566076
Energy: 1.2556501533885982
Energy: 0.8836890711566076
Energy: 0.920070492056259
Energy: 1.2765050257211903
Energy: 0.920070492056259
Energy: 1.2765050257201935
Energy: 0.920070492056259
Energy: 1.2765050257201935
Energy: 1.252726790349191
Energy: 0.8910968622740287
Energy: 1.2527267805797135
Energy: 0.8910968622750256
Energy: 1.252726748619525
Energy: 0.8910968622750256
Energy: 1.1266491714192444
Energy: 1.120537516027293
Energy: 1.1266491714182474
Energy: 1.12053751602829
Energy: 1.1266491714192444
Energy: 1.1205375160252988
Energy: 1.3249908988695822
Energy: 1.002987558007989
Energy: 1.3249908988705792
Energy: 1.002987558008986
Energy: 1.3249908988655938
Energy: 1.002987558007989
Energy: 1.0632452567405668
Energy: 1.0185690832251248
Energy: 1.0632452567395698
Energy: 1.0185690832251248
Energy: 1.0632452567385728
Energy: 1.0185690832251248
Energy: 1.0982680708796446
Energy: 1.1196856163941193
Energy: 1.0982680708786476
Energy: 1.1196856163941193
Energy: 1.0982680708786476
Energy: 1.1196856163941193
Energy: 1.13864319408518
Energy: 1.0866752797683985
Energy: 1.138643194084183
Energy: 1.0866752797693955
Energy: 1.13864319408518
Energy: 1.0866752797693955
Energy: 1.1145207449749732
Energy: 1.209852652655315
Energy: 1.1145207449739762
Energy: 1.2098526526533209
Energy: 1.1145207449739762
Energy: 1.209852652654318
Energy: 1.0332175690907053
Energy: 1.0880248225963143
Energy: 1.0332175690907053
Energy: 1.0880248225963143
Energy: 1.0332175690917023
Energy: 1.0880248225963143

minimum gb energy = 0.5542589785417352 eV
minimum distance =  2.30603381781418 Angstroms
sigma value = 19


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

Energy: 0.8690659585818388
Energy: 0.8488168424615127
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.9487523690491078
Energy: 1.1320075729552321
Energy: 0.9487523690491078
Energy: 1.1320075729552321
Energy: 0.9487523690491078
Energy: 1.1320075729552321
Energy: 0.8032801581076797
Energy: 1.1291108031356976
Energy: 0.8032801581076797
Energy: 1.1291108031345147
Energy: 0.8032801581076797
Energy: 1.1291108031351063
Energy: 0.9089908319045285
Energy: 0.8034884691117299
Energy: 0.9089908319045285
Energy: 0.8034884691123214
Energy: 0.9089908319039373
Energy: 0.8034884691123214
Energy: 0.8447546465382587
Energy: 0.8656022079545417
Energy: 0.8447546465382587
Energy: 0.8656022079545417
Energy: 0.8447546465382587
Energy: 0.8656022079545417
Energy: 0.8448879092568731
Energy: 0.8655051173896632
Energy: 0.8448879092568731
Energy: 0.8655051173896632
Energy: 0.8448879092562817
Energy: 0.8655051173896632
Energy: 0.9089619263561495
Energy: 0.8034825222442207
Energy: 0.9089619263543751
Energy: 0.8034825222442207
Energy: 0.9089619263549665
Energy: 0.8034825222448122
Energy: 0.8032825328239164
Energy: 1.129243567812477
Energy: 0.8032825328239164
Energy: 1.1292435678130683
Energy: 0.8032825328239164
Energy: 1.129243567812477
Energy: 0.9486850906702119
Energy: 1.1319480285397598
Energy: 0.9486850906684376
Energy: 1.1319480285403514
Energy: 0.9486850906684376
Energy: 1.1319480285397598
Energy: 0.8690659585818388
Energy: 0.8488168424615127
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.9487523690485165
Energy: 1.1320075729552321
Energy: 0.9487523690485165
Energy: 1.1320075729552321
Energy: 0.9487523690491078
Energy: 1.1320075729552321
Energy: 0.8032801581076797
Energy: 1.1291108031351063
Energy: 0.8032801581076797
Energy: 1.1291108031345147
Energy: 0.8032801581076797
Energy: 1.1291108031351063
Energy: 0.9089908319045285
Energy: 0.8034884691117299
Energy: 0.9089908319045285
Energy: 0.8034884691117299
Energy: 0.9089908319039373
Energy: 0.8034884691123214
Energy: 0.8447546465382587
Energy: 0.8656022079545417
Energy: 0.8447546465382587
Energy: 0.8656022079539503
Energy: 0.8447546465382587
Energy: 0.8656022079545417
Energy: 0.8448879092562817
Energy: 0.8655051173890718
Energy: 0.8448879092562817
Energy: 0.8655051173890718
Energy: 0.8448879092568731
Energy: 0.8655051173890718
Energy: 0.9089619263549665
Energy: 0.8034825222448122
Energy: 0.9089619263549665
Energy: 0.8034825222448122
Energy: 0.9089619263543751
Energy: 0.8034825222442207
Energy: 0.8032825328239164
Energy: 1.1292435678118857
Energy: 0.8032825328239164
Energy: 1.1292435678136596
Energy: 0.8032825328239164
Energy: 1.1292435678130683
Energy: 0.9486850906690292
Energy: 1.1319480285403514
Energy: 0.9486850906696206
Energy: 1.1319480285403514
Energy: 0.9486850906690292
Energy: 1.1319480285403514
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.8690659585818388
Energy: 0.8488168424615127
Energy: 0.9487523690491078
Energy: 1.1320075729552321
Energy: 0.9487523690485165
Energy: 1.1320075729558237
Energy: 0.948752369047925
Energy: 1.1320075729552321
Energy: 0.8032801581076797
Energy: 1.1291108031351063
Energy: 0.8032801581076797
Energy: 1.1291108031345147
Energy: 0.8032801581076797
Energy: 1.1291108031345147
Energy: 0.9089908319039373
Energy: 0.8034884691123214
Energy: 0.9089908319045285
Energy: 0.8034884691117299
Energy: 0.9089908319039373
Energy: 0.8034884691123214
Energy: 0.8447546465382587
Energy: 0.8656022079539503
Energy: 0.8447546465382587
Energy: 0.8656022079539503
Energy: 0.8447546465382587
Energy: 0.8656022079545417
Energy: 0.8448879092568731
Energy: 0.8655051173890718
Energy: 0.8448879092568731
Energy: 0.8655051173890718
Energy: 0.8448879092562817
Energy: 0.8655051173890718
Energy: 0.9089619263549665
Energy: 0.8034825222448122
Energy: 0.908961926355558
Energy: 0.8034825222448122
Energy: 0.9089619263549665
Energy: 0.8034825222448122
Energy: 0.8032825328239164
Energy: 1.129243567812477
Energy: 0.8032825328239164
Energy: 1.1292435678136596
Energy: 0.803282532823325
Energy: 1.1292435678130683
Energy: 0.9486850906696206
Energy: 1.1319480285397598
Energy: 0.9486850906690292
Energy: 1.1319480285403514
Energy: 0.9486850906690292
Energy: 1.1319480285403514
Energy: 0.8690659585818388
Energy: 0.8488168424615127
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.8690659585818388
Energy: 0.8488168424609482
Energy: 0.9487523690496993
Energy: 1.1320075729552321
Energy: 0.948752369047925
Energy: 1.1320075729552321
Energy: 0.9487523690496993
Energy: 1.1320075729552321
Energy: 0.8032801581076797
Energy: 1.1291108031351063
Energy: 0.8032801581076797
Energy: 1.1291108031345147
Energy: 0.8032801581076797
Energy: 1.1291108031345147

minimum gb energy = 0.8032801581076797 eV
minimum distance =  2.31910077184935 Angstroms
sigma value = 27


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

Energy: 0.8482481504774924
Energy: 0.8114584765967016
Energy: 0.8482481504774924
Energy: 0.8114584765952528
Energy: 0.8482481504774924
Energy: 0.8114584765967016
Energy: 1.0031448228511142
Energy: 0.8344449485825554
Energy: 1.0031441893311324
Energy: 0.8344449485825554
Energy: 1.003142502034457
Energy: 0.8344449485825554
Energy: 0.909506055902977
Energy: 0.9542528737463852
Energy: 0.8326228963921177
Energy: 0.9542528737463852
Energy: 0.9095060559015283
Energy: 0.9542528737463852
Energy: 1.0033112139716118
Energy: 0.7887130599130354
Energy: 1.003311196959161
Energy: 0.7887130599130354
Energy: 1.0033111306874274
Energy: 0.7887130599130354
Energy: 1.0026818651458582
Energy: 0.7886504597208033
Energy: 1.0026818651458582
Energy: 0.7886504597208033
Energy: 1.0026818651458582
Energy: 0.7886504597208033
Energy: 1.0211228944643207
Energy: 1.0765096039021833
Energy: 1.0211228944643207
Energy: 1.0765096039021833
Energy: 1.0211228944657693
Energy: 1.0765096039021833
Energy: 0.7894294099948234
Energy: 0.8374833508877189
Energy: 0.9507679650761252
Energy: 0.8374833508877189
Energy: 0.7894294099948234
Energy: 0.8374833508877189
Energy: 0.8405303714509257
Energy: 0.8138816902533216
Energy: 0.8405303714509257
Energy: 0.8138816902533216
Energy: 0.8405303714509257
Energy: 0.8138816902533216
Energy: 1.003745586193535
Energy: 0.8321583462948999
Energy: 1.0037455861602493
Energy: 0.832158352635678
Energy: 1.00374558607771
Energy: 0.8321583532525335
Energy: 0.9898449340074398
Energy: 1.0262290316255043
Energy: 0.9898449340074398
Energy: 1.0262290316182612
Energy: 0.9898449340074398
Energy: 1.0262290316124993
Energy: 0.8138127142340481
Energy: 0.7903610404131802
Energy: 0.8138127142340481
Energy: 0.7903610404131802
Energy: 0.9194841617538736
Energy: 0.7903610404131802
Energy: 1.1187523854363017
Energy: 0.9835408718240289
Energy: 1.1187523854363017
Energy: 0.9835408718081268
Energy: 1.1187523854363017
Energy: 0.9835408717834999

minimum gb energy = 0.7886504597208033 eV
minimum distance =  2.30122767447184 Angstroms
sigma value = 9


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

Energy: 0.9336626794773679
Energy: 0.7340724438876288
Energy: 0.933662679477775
Energy: 0.7340724438876288
Energy: 0.933662679478182
Energy: 0.7340724438880357
Energy: 0.8177433131011498
Energy: 0.7991857627247657
Energy: 0.8177433137138433
Energy: 0.8132955412915678
Energy: 0.8177433132663305
Energy: 0.7620695990645835
Energy: 0.7109109850333667
Energy: 0.8247610209814741
Energy: 0.7109109850317384
Energy: 0.8247610209822883
Energy: 0.7109109850325526
Energy: 0.8247610209924641
Energy: 0.7626511094390058
Energy: 0.7283317761929229
Energy: 0.7626511094390058
Energy: 0.728331776195365
Energy: 0.7626511094390058
Energy: 0.7283317761937369
Energy: 0.8166410012091052
Energy: 0.7810867256133922
Energy: 0.8166410012086982
Energy: 0.7810867256133922
Energy: 0.8166410012082912
Energy: 0.7810867256129851
Energy: 0.8497527071332732
Energy: 0.9135166475209104
Energy: 0.8497527070873157
Energy: 0.8756645400057307
Energy: 0.8497527068924215
Energy: 0.8355903874167304
Energy: 0.8172828444225883
Energy: 0.8365566302515033
Energy: 0.8172828443294149
Energy: 0.8365566302515033
Energy: 0.8172828441024023
Energy: 0.8365566302498753
Energy: 0.7099143140940796
Energy: 0.8190156673775044
Energy: 0.7099143140944865
Energy: 0.8190156673779115
Energy: 0.7099143140944865
Energy: 0.8190156673783185
Energy: 0.7856919700747426
Energy: 0.7818294278147351
Energy: 0.7856917644197968
Energy: 0.7818294278147351
Energy: 0.7856913665973769
Energy: 0.7818294278151421
Energy: 0.7837601533054827
Energy: -1.4884122870676877
Energy: 0.7837601530784701
Energy: -1.3544507502582543
Energy: 0.7837601518701415
Energy: -1.6981544083999498
Energy: 0.7597727397534708
Energy: 0.7369625804325035
Energy: 0.759772739755913
Energy: 0.7369625804325035
Energy: 0.7597727397257927
Energy: 0.7369625804320965
Energy: 0.7516359432105777
Energy: 0.8235083922209311
Energy: 0.7516359432105777
Energy: 0.8235083921725315
Energy: 0.7516359432105777
Energy: 0.8235083920736597
Energy: 0.32897936031717745
Energy: 0.8111071305565557
Energy: 0.44565712398570156
Energy: 0.8111071305516713
Energy: 0.4563940907051051
Energy: 0.8111071305414955
Energy: 0.9281208815842623
Energy: 0.8059938933697798
Energy: 0.9281208815598405
Energy: 0.8059938933693728
Energy: 0.928120881503263
Energy: 0.8059938933669306
Energy: 0.7341086311142307
Energy: 0.8015210579808173
Energy: 0.7341086311142307
Energy: 0.8015210579816314
Energy: 0.7341086311146378
Energy: 0.8015210579820384
Energy: 0.8770443213727808
Energy: 0.9098873983902607
Energy: 0.8766639376469743
Energy: 0.9098873983524067
Energy: 0.6427982004015987
Energy: 0.9098873983247657
Energy: 0.9678687146214703
Energy: 0.7292334508839403
Energy: 0.9678687146202491
Energy: 0.7292334508847544
Energy: 0.9678687146226913
Energy: 0.7292334508847544
Energy: 0.7503194179689402
Energy: 0.7433445524684467
Energy: 0.7503194179689402
Energy: 0.7433445524688537
Energy: 0.7503194179681262
Energy: 0.7433445524692608
Energy: 0.7121528787052553
Energy: 0.9741547765791422
Energy: 0.7121528787056624
Energy: 0.9741547765775141
Energy: 0.7121528787056624
Energy: 0.9741547765779212
Energy: 0.9048182517250141
Energy: 0.7169171113444601
Energy: 0.9048182517258282
Energy: 0.716917111343239
Energy: 0.9048182517262352
Energy: 0.7169171113448671
Energy: 0.7121646667183205
Energy: 0.9739512810524067
Energy: 0.7121646667179135
Energy: 0.9739512810605103
Energy: 0.7121646667175064
Energy: 0.9739512810552559
Energy: 0.7505513514934531
Energy: 0.743664793507602
Energy: 0.75055135149386
Energy: 0.743664793508009
Energy: 0.7505513514930461
Energy: 0.743664793507602
Energy: 0.9677346248464869
Energy: 0.729129345726145
Energy: 0.9677346248464869
Energy: 0.7291293457200395
Energy: 0.9677346248452657
Energy: 0.7291293457167832
Energy: 0.8767603402608349
Energy: 0.8190454882138574
Energy: 0.8766834684683488
Energy: 0.8190454881930986
Energy: 0.6428985211403414
Energy: 0.8190454881035888
Energy: 0.7340096186210185
Energy: 0.8014860057390717
Energy: 0.7340096186214257
Energy: 0.8014860057378507
Energy: 0.7340096186218327
Energy: 0.8014860057382577
Energy: 0.9279623753122943
Energy: 0.8061827723372426
Energy: 0.9279623752671139
Energy: 0.8061827723372426
Energy: 0.9279623751357167
Energy: 0.8061827723376496
Energy: 0.432513663743112
Energy: 0.8108762858796145
Energy: 0.4461236921287751
Energy: 0.8108762858706599
Energy: 0.4455011044206401
Energy: 0.8108762858051648
Energy: 0.7514014664781844
Energy: 0.7303260524370173
Energy: 0.7514014664777774
Energy: 0.7303260523475074
Energy: 0.7514014664777774
Energy: 0.7303260522563693
Energy: 0.7600634370222763
Energy: 0.7370106965300255
Energy: 0.7600634370206482
Energy: 0.7370106965300255
Energy: 0.7600634370186131
Energy: 0.7370106965300255
Energy: 0.7837309947077896
Energy: 0.623189603894188
Energy: 0.7837309942146893
Energy: 0.6233006842593339
Energy: 0.783730992532761
Energy: 0.6232645800603958
Energy: 0.7859559801124083
Energy: 0.7815784839161075
Energy: 0.7859559668722643
Energy: 0.7815784839157005
Energy: 0.7859559342070206
Energy: 0.7815784839157005
Energy: 0.7099474051813529
Energy: 0.8188469913738193
Energy: 0.7099474051813529
Energy: 0.8188469913734123
Energy: 0.7099474051813529
Energy: 0.8188469913746333
Energy: 0.8173479279664122
Energy: 0.8366685077517428
Energy: 0.8173479278777532
Energy: 0.8366685077517428
Energy: 0.8173479276059672
Energy: 0.8366685077513356
Energy: 0.8495010293803026
Energy: 0.9028616676655518
Energy: 0.8495010293131794
Energy: 0.9028510123382439
Energy: 0.8495010291309031
Energy: 0.902830500683296
Energy: 0.816501500096697
Energy: 0.7813768887696678
Energy: 0.816501500096697
Energy: 0.7813768887692608
Energy: 0.816501500097104
Energy: 0.7813768887696678
Energy: 0.7620473073345435
Energy: 0.7282173040316123
Energy: 0.7620473073345435
Energy: 0.7282173040324263
Energy: 0.7620473073345435
Energy: 0.7282173040307982
Energy: 0.710634216842336
Energy: 0.8250385699009339
Energy: 0.7106342168439641
Energy: 0.8250385699005269
Energy: 0.7106342168443711
Energy: 0.8250385698997129
Energy: 0.820959694000219
Energy: 0.7618733575270986
Energy: 0.8209596940140578
Energy: 0.7618702668452859
Energy: 0.8209596940095806
Energy: 0.7618661239955122
Energy: 0.9336626794769609
Energy: 0.7340724438888498
Energy: 0.933662679478182
Energy: 0.734072443890478
Energy: 0.9336626794749256
Energy: 0.734072443889664
Energy: 0.8177433156231912
Energy: 0.7243142650500389
Energy: 0.8177433154555682
Energy: 0.724314265050853
Energy: 0.8177433146292573
Energy: 0.7243142650500389
Energy: 0.7109109850329596
Energy: 0.8247610208899291
Energy: 0.7109109850317384
Energy: 0.8247610209115017
Energy: 0.7109109850333667
Energy: 0.8247610208858588
Energy: 0.7626511094390058
Energy: 0.728331776194144
Energy: 0.7626511094390058
Energy: 0.728331776195772
Energy: 0.7626511094385988
Energy: 0.7283317761949579
Energy: 0.8166410012095122
Energy: 0.7810867256142062
Energy: 0.8166410012082912
Energy: 0.7810867256137992
Energy: 0.8166410012078842
Energy: 0.7810867256142062

minimum gb energy = -1.6981544083999498 eV
minimum distance =  2.35151657336204 Angstroms
sigma value = 57


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

Energy: 0.3891381193073083
Energy: 0.3963194976730035
Energy: 0.3891381193073083
Energy: 0.3963194976730035
Energy: 0.3891381193073083
Energy: 0.3963194976730035
Energy: 0.47060910783702053
Energy: 0.39008265465059305
Energy: 0.470609107837947
Energy: 0.3900826546524461
Energy: 0.47060910783609394
Energy: 0.3900826546524461
Energy: 0.4292636889754538
Energy: 0.46710188332594227
Energy: 0.4292636889754538
Energy: 0.46710188332686875
Energy: 0.4292636889754538
Energy: 0.46710188332686875
Energy: 0.39864541841395734
Energy: 0.3891527776403299
Energy: 0.39864541841488393
Energy: 0.3891527776403299
Energy: 0.39864541841303086
Energy: 0.38915277764125644
Energy: 0.4697455843853754
Energy: 0.47867582924803165
Energy: 0.4697455843853754
Energy: 0.47867582924803165
Energy: 0.4697455843853754
Energy: 0.47867582924803165
Energy: 0.38915820100534476
Energy: 0.43136624517083333
Energy: 0.38915820100534476
Energy: 0.43136624517176
Energy: 0.38915820100534476
Energy: 0.43136624517176
Energy: 0.38917934890178174
Energy: 0.4313681815317168
Energy: 0.38917934890178174
Energy: 0.4313681815317168
Energy: 0.38917934890178174
Energy: 0.4313681815307902
Energy: 0.46976529211763934
Energy: 0.47861603250440043
Energy: 0.4697652921157862
Energy: 0.4786160325053269
Energy: 0.46976529211763934
Energy: 0.4786160325053269
Energy: 0.39862351983441474
Energy: 0.3891394068399963
Energy: 0.39862351983441474
Energy: 0.3891394068399963
Energy: 0.39862351983441474
Energy: 0.3891394068390697
Energy: 0.430328352713491
Energy: 0.46706210923620367
Energy: 0.4303283527144176
Energy: 0.46706210923527713
Energy: 0.43032835271534414
Energy: 0.46706210923620367
Energy: 0.470621078684299
Energy: 0.3900840854598056
Energy: 0.470621078684299
Energy: 0.39008408545887907
Energy: 0.4706210786852255
Energy: 0.39008408545887907
Energy: 0.3891381193073083
Energy: 0.3963194976730035
Energy: 0.3891381193073083
Energy: 0.3963194976730035
Energy: 0.3891381193073083
Energy: 0.3963194976730035
Energy: 0.47060910783702053
Energy: 0.39008265465059305
Energy: 0.470609107837947
Energy: 0.39008265465059305
Energy: 0.470609107837947
Energy: 0.39008265465151964
Energy: 0.4292636889754538
Energy: 0.46710188332686875
Energy: 0.42926368897638034
Energy: 0.4671018833287219
Energy: 0.4292636889754538
Energy: 0.46710188332779534
Energy: 0.39864541841395734
Energy: 0.38915277764125644
Energy: 0.39864541841395734
Energy: 0.3891527776403299
Energy: 0.39864541841395734
Energy: 0.3891527776403299
Energy: 0.4697455843853754
Energy: 0.47867582924803165
Energy: 0.46974558438444886
Energy: 0.47867582924803165
Energy: 0.4697455843853754
Energy: 0.47867582924803165
Energy: 0.38915820100534476
Energy: 0.43136624517083333
Energy: 0.38915820100534476
Energy: 0.43136624517083333
Energy: 0.38915820100534476
Energy: 0.43136624517176
Energy: 0.38917934890178174
Energy: 0.4313681815317168
Energy: 0.38917934890178174
Energy: 0.4313681815317168
Energy: 0.38917934890178174
Energy: 0.4313681815317168
Energy: 0.46976529211671275
Energy: 0.47861603250440043
Energy: 0.4697652921157862
Energy: 0.47861603250440043
Energy: 0.46976529211671275
Energy: 0.4786160325053269

minimum gb energy = 0.3891381193073083 eV
minimum distance =  2.44657972111793 Angstroms
sigma value = 11


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

Energy: 0.5865446040508934
Energy: 0.7705414482630164
Energy: 0.5865446040488572
Energy: 0.7705414482636951
Energy: 0.5865446040522508
Energy: 0.7705414482636951
Energy: 0.7726555857483596
Energy: 0.7347072172047965
Energy: 0.7726555857476809
Energy: 0.7347072172041177
Energy: 0.7726555857476809
Energy: 0.7347072172041177
Energy: 0.8194234310846201
Energy: 1.179770849045266
Energy: 0.820424324012976
Energy: 1.179770849047302
Energy: 0.8204243240136546
Energy: 1.1797708490459446
Energy: 0.8097947029147835
Energy: 0.09032914393062538
Energy: 0.8097947029154624
Energy: 0.09083625242003444
Energy: 0.8097947029154624
Energy: 0.08932900517202086
Energy: 0.7582014473322422
Energy: 0.5279035522596591
Energy: 0.7582014473322422
Energy: 0.5279035522610166
Energy: 0.7582014473315636
Energy: 0.5279035522603378
Energy: 0.6568341496283825
Energy: 0.8073465278027321
Energy: 0.6568341496290612
Energy: 0.8073465278006959
Energy: 0.6568341496277037
Energy: 0.8073465278027321
Energy: 0.08498850114524602
Energy: 0.9967619066043873
Energy: -0.023984092012533622
Energy: 0.9967619066023511
Energy: -0.025137674166068463
Energy: 0.9967619066037086
Energy: 0.8394149512246488
Energy: -0.3844411720398441
Energy: 0.8394149512246488
Energy: -0.3843010857963918
Energy: 0.8394149512246488
Energy: -0.3759472416003351
Energy: 0.7761727804454978
Energy: -0.3842075711858395
Energy: 0.7761727804454978
Energy: -0.38437230774017656
Energy: 0.7761727804461765
Energy: -0.38441530380834255
Energy: 0.08553340376307789
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Energy: 0.8664418148750194
Energy: 1.2022180039384383
Energy: 0.8664418148770555
Energy: 1.2022180039377592
Energy: 0.8664418148770555

minimum gb energy = -0.7634453612824941 eV
minimum distance =  2.35700502773259 Angstroms
sigma value = 41


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

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Energy: -0.1951770834966261
Energy: 0.21655857081021615
Energy: -0.16573265133516574
Energy: 0.21187772644660743

minimum gb energy = -0.509727831393238 eV
minimum distance =  2.2627648322324 Angstroms
sigma value = 33


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

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Energy: 0.019306436429204977
Energy: 0.8734128141296038

minimum gb energy = -1.5961207692861539 eV
minimum distance =  2.3848291956055 Angstroms
sigma value = 67


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

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Energy: 0.5995498718005087
Energy: 0.7175845565830519
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Energy: -0.16990874605214165
Energy: 0.7115444942306965
Energy: 0.18244427082129738
Energy: -0.15942424651743112
Energy: 0.18139117295478088
Energy: -0.1594166298284093
Energy: 0.1690942606333536
Energy: -0.15940094104829464
Energy: 0.7175845565830519
Energy: 0.5995498718005087
Energy: 0.7175845565828238
Energy: 0.5995498718005087
Energy: 0.7175845565830519
Energy: 0.5995498718005087
Energy: 0.17912349308476067
Energy: -0.15988872898483072
Energy: -0.3026154061280856
Energy: -0.15987693171315373
Energy: -0.29953697871026036
Energy: -0.15992373917300917
Energy: -0.144593701628991
Energy: 0.7115444942309531
Energy: -0.17448237394615032
Energy: 0.7115444942309531
Energy: -0.17114222232674453
Energy: 0.7115444942306965

minimum gb energy = -0.3026154061280856 eV
minimum distance =  2.39077480577474 Angstroms
sigma value = 3


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

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Energy: -0.4709367366021345
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Energy: -1.5732767491892705
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Energy: -0.9362417293829287
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Energy: -1.950478705360774
Energy: -0.38757215192401717
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Energy: -0.39538988145384946
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Energy: -1.9527661337401296
Energy: -1.909694933203112
Energy: -2.377174360862057
Energy: -1.7770206117330036
Energy: -2.1753797047101426
Energy: -1.0343276340989436
Energy: 0.727427103471435
Energy: -1.925630614063406
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Energy: -1.92226130896475
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Energy: -1.9242619559105998
Energy: -1.6591861423731553
Energy: -1.728388918889569
Energy: -1.5527736673327852
Energy: -1.779442652059784
Energy: -1.7718755582115513
Energy: -1.7568779687190526

minimum gb energy = -2.5826568577504494 eV
minimum distance =  2.29901198188715 Angstroms
sigma value = 81


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

Energy: 0.8472306560360555
Energy: 0.551437001045526
Energy: 0.8472306560355868
Energy: 0.5514370010305298
Energy: 0.8472306560355868
Energy: 0.5514370005344622
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Energy: -1.4726837879160903
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Energy: -1.5658186313664888
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Energy: -0.13933838961094408
Energy: -1.5861176005996862
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Energy: 0.9142592174108668
Energy: -1.1136526569260001
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Energy: -0.9555124320466529
Energy: 0.9142592174108668
Energy: 0.09649964579698524
Energy: -0.7199491408986698
Energy: 0.10056303304803085
Energy: -1.612766342601606
Energy: 0.28335562223172533
Energy: -1.4756224878616337
Energy: -0.07233590558102684
Energy: 0.3515480802296707
Energy: -0.473710523717388
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Energy: -0.05277978193182627
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Energy: 0.6750740574523647
Energy: -1.1999715818063184
Energy: 0.6750740574523647
Energy: -1.1944229025958584
Energy: 0.6750740574518962
Energy: -1.1978281016593855

minimum gb energy = -1.6517772116601195 eV
minimum distance =  2.37797762979094 Angstroms
sigma value = 43


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

Energy: 0.914410626389065
Energy: 0.013589105691479714
Energy: 0.9144106263896405
Energy: 0.013337546654442185
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Energy: -0.1689906255090237
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Energy: 0.7899227784553615
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Energy: -0.7113138845921262
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Energy: 0.7576644975591573
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Energy: -0.9350881275086139
Energy: 0.02030972869528267
Energy: -0.8318871319861474
Energy: -0.002679321120158635
Energy: -0.9224407716250074

minimum gb energy = -1.2288157033782268 eV
minimum distance =  2.34234207185193 Angstroms
sigma value = 57


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

Energy: -0.0010199249757162703
Energy: -0.007660474974741774
Energy: 0.004659235975709821
Energy: -0.007660964680171313
Energy: 0.004468654459515843
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Energy: -0.36267463326431126
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Energy: 0.7440942892259128
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Energy: 0.4324544038087764
Energy: 0.028140841328319212
Energy: 0.4324541409471529
Energy: 0.02793975176212923
Energy: 0.4324540445399904
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Energy: 0.2516398057979955
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Energy: 0.2512152776059139
Energy: 0.7156965778367365
Energy: 0.25157121103098523
Energy: -1.6765032211397424
Energy: -0.37019013968190423
Energy: -1.690932449397471
Energy: -0.37061112810600544
Energy: -1.6909993228859677
Energy: -0.36283756031266806
Energy: 0.0974799750650402
Energy: -0.02261637619863901
Energy: 0.09465178025046482
Energy: -0.022617427438849546
Energy: 0.09816245637519709
Energy: -0.022619219026166343
Energy: 0.4238476129872034
Energy: -0.2948100460289979
Energy: 0.4238476158665664
Energy: -0.2938544893622711
Energy: 0.42384761799651305
Energy: 0.04752328369113938
Energy: 0.7071212500987196
Energy: 0.6273434551138662
Energy: 0.7071212500741243
Energy: 0.6273434551138662
Energy: 0.7071212500853041
Energy: 0.6273434551138662
Energy: -0.30423571246903547
Energy: -0.057910795191133846
Energy: -0.30126539058563945
Energy: -0.05878869281870204
Energy: -0.30154278007034624
Energy: -0.04491682730763906
Energy: -0.3540911018729916
Energy: -0.3902833379094009
Energy: -0.3519499195827239
Energy: -0.38368298844958265
Energy: -0.35202560922127024
Energy: -0.3912718371699605

minimum gb energy = -1.6939041625029225 eV
minimum distance =  2.34119564440177 Angstroms
sigma value = 17


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

Energy: 0.8098658584599859
Energy: 0.7172476604889038
Energy: 0.80986585846104
Energy: 0.7172476604889038
Energy: 0.8098658584599859
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Energy: 0.7893606020729548
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Energy: 0.7493464564785832
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Energy: 0.5659408750077027
Energy: 0.6879009892697708
Energy: 0.5659408750066488
Energy: 0.6879009892697708
Energy: 0.5659408750055946
Energy: 0.4637248977030276
Energy: 0.509034402334134
Energy: 0.4637248977019735
Energy: 0.5096265831794061
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Energy: 0.5095868172787664
Energy: -1.215039259880169
Energy: 0.5761037490634976
Energy: -1.1444253902704866
Energy: 0.5761037490634976
Energy: -1.1482694347520759
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Energy: 0.6688425812836067
Energy: 0.5784521955162986
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Energy: 0.6688425812836067
Energy: 0.3979393019773805
Energy: 0.5775335897509367
Energy: -1.1396735459618652
Energy: 0.5775335897509367
Energy: -1.1541624480611705
Energy: 0.5775335897530448
Energy: 0.510722356385901
Energy: 0.749460432704361
Energy: 0.5107223563827389
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Energy: 0.510722356381685
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Energy: 0.7199628104883066
Energy: 0.8256245924503337
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Energy: -0.8952902736353933
Energy: 0.6755493169583341
Energy: -1.1337117459104402
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Energy: -0.8711450556881133
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Energy: -1.1959374910499891
Energy: 0.7501021633609943
Energy: -1.2065827929684854
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Energy: -1.1607990024837906
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Energy: -1.2139372307780658
Energy: 0.7191079410957545
Energy: -1.218569998837697
Energy: 0.7191079410968085
Energy: -1.0958491244053548

minimum gb energy = -1.218569998837697 eV
minimum distance =  2.33970317027556 Angstroms
sigma value = 17


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

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Energy: 0.678642277192534
Energy: 0.7582059411660029
Energy: 0.678642277192941
Energy: 0.7373590627781641
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Energy: 0.6607795185717713
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Energy: 0.6607795185717713
Energy: 0.6938128361339969
Energy: 0.6607795185717713
Energy: 0.6275738508226804
Energy: 0.6114310947633134
Energy: 0.6275738508226804
Energy: 0.6114310947612783
Energy: 0.6275738508222733
Energy: 0.6114310947612783
Energy: 0.5492209439412146
Energy: 0.7697613308857175
Energy: 0.5492209439713349
Energy: 0.7697613308861245
Energy: 0.5492209439424357
Energy: 0.7697613308853104
Energy: 0.7132245906837711
Energy: 0.7030247748194738
Energy: 0.7132245906674897
Energy: 0.7030247748198808
Energy: 0.7132245906292658
Energy: 0.7030247748206948
Energy: 0.6944810997849822
Energy: 0.6881043218229784
Energy: 0.6944810997845752
Energy: 0.6881043218241996
Energy: 0.6944810997845752
Energy: 0.6881043218233855
Energy: 0.7582059411668168
Energy: 0.678642277192941
Energy: 0.758205941167224
Energy: 0.678642277192941
Energy: 0.7582059411660029
Energy: 0.678642277192941
Energy: 0.6568423857087039
Energy: 0.665641322731443
Energy: 0.6568423857078899
Energy: 0.6656413227326642
Energy: 0.6568423857082969
Energy: 0.6656413227330713
Energy: 0.7590575613575347
Energy: 0.7458175886647319
Energy: 0.7590618760744913
Energy: 0.7458175886643249
Energy: 0.7590575613583487
Energy: 0.7458175886647319
Energy: 0.5493675657386364
Energy: 0.6458714465115267
Energy: 0.5492579968573092
Energy: 0.6458839878422954
Energy: 0.5493675657382294
Energy: 0.6458197886037739
Energy: 0.6224269523734024
Energy: 0.6437141251397046
Energy: 0.6224269523721814
Energy: 0.6437141251384835
Energy: 0.6224269523750305
Energy: 0.6437141251384835

minimum gb energy = -0.8873396487071734 eV
minimum distance =  2.3012695826732 Angstroms
sigma value = 57


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

Energy: 0.5936029411579317
Energy: 0.5223989442556946
Energy: 0.5936029411585944
Energy: 0.5223989442543692
Energy: 0.5936029411572689
Energy: 0.5223989442543692
Energy: 0.6055488576255272
Energy: 0.600587013779075
Energy: 0.6055488576222136
Energy: 0.600587013779075
Energy: 0.6055488576248645
Energy: 0.600587013779075
Energy: 0.6429519469944036
Energy: 0.6460264790115998
Energy: 0.6429519469924153
Energy: 0.6460264790115998
Energy: 0.6429519469977173
Energy: 0.6460264790115998
Energy: 0.5799253842489238
Energy: 0.6875439624370224
Energy: 0.5799253842529003
Energy: 0.6875439624370224
Energy: 0.5799253842489238
Energy: 0.6875439624363597
Energy: 0.5970825026064123
Energy: 0.5738867959824507
Energy: 0.5970825025858671
Energy: 0.5738867959831134
Energy: 0.5970825026024358
Energy: 0.5738867959831134
Energy: 0.6311656325752368
Energy: 0.5966925786891794
Energy: 0.631165632574574
Energy: 0.5966925786878539
Energy: 0.6311656325739113
Energy: 0.5966925786891794
Energy: 0.5702127120640519
Energy: 0.6675304431655945
Energy: 0.5702127120713419
Energy: 0.6675304431655945
Energy: 0.5702127120667028
Energy: 0.6675304431649318
Energy: 0.49448515879944555
Energy: 0.6650453419855814
Energy: 0.4951729662101358
Energy: 0.6650453358486257
Energy: 0.49216472918846665
Energy: 0.6650453284549855
Energy: 0.6394265132437718
Energy: 0.5985333596308439
Energy: 0.6394265132431091
Energy: 0.5985333596315067
Energy: 0.6394265132431091
Energy: 0.5985333596315067
Energy: 0.6101973852304767
Energy: 0.6431620235696591
Energy: 0.610197385229814
Energy: 0.6431620235689964
Energy: 0.610197385229814
Energy: 0.6431620235709846
Energy: 0.5481392689321672
Energy: 0.5301772665965312
Energy: 0.5481392689368064
Energy: 0.5290430742993558
Energy: 0.5481392689354809
Energy: 0.528463038798989
Energy: 0.657528576471136
Energy: 0.5705191764841694
Energy: 0.657528576471136
Energy: 0.5705191764854346
Energy: 0.657528576471136
Energy: 0.5705191764847719
Energy: 0.6092389731198308
Energy: 0.6445246097282057
Energy: 0.6092389731198308
Energy: 0.6445246097288686
Energy: 0.6092389731198308
Energy: 0.6445246097301941
Energy: 0.6000383653552445
Energy: 0.6354208402705148
Energy: 0.6000383653565698
Energy: 0.6354208402705148
Energy: 0.6000383653565698
Energy: 0.6354208402705148
Energy: 0.7009317196850967
Energy: 0.6107075972890705
Energy: 0.7009317196857595
Energy: 0.6107075972864195
Energy: 0.7009317196850967
Energy: 0.6107075972811176
Energy: 0.6071073067553543
Energy: 0.6094205515999018
Energy: 0.6071073067553543
Energy: 0.6094205515985763
Energy: 0.6071073067560171
Energy: 0.6094205515972508
Energy: 0.6378926444597147
Energy: 0.6109170479267142
Energy: 0.637892644461703
Energy: 0.6109170479267142
Energy: 0.6378926444603775
Energy: 0.6109170479273769
Energy: 0.5913232660433293
Energy: 0.6113662911518868
Energy: 0.5913232660413411
Energy: 0.6113662911505613
Energy: 0.5913232660426665
Energy: 0.6113662911512239
Energy: 0.5867199995839336
Energy: 0.6471707129647724
Energy: 0.5867199995839336
Energy: 0.647170712966098
Energy: 0.5867199995839336
Energy: 0.647170712966098
Energy: 0.5909274074909064
Energy: 0.684225239819389
Energy: 0.5909274074909064
Energy: 0.6842252398187261
Energy: 0.5909274074909064
Energy: 0.6842252398187261
Energy: 0.6051052757768048
Energy: 0.6272597724491223
Energy: 0.6051052757383657
Energy: 0.6272597724484597
Energy: 0.6051052755939476
Energy: 0.6272597724464715
Energy: 0.5777282209979666
Energy: 0.648568607278417
Energy: 0.5777282209992921
Energy: 0.6485686072698014
Energy: 0.5777282209986294
Energy: 0.6485686072751033
Energy: 0.6274027276789269
Energy: 0.6611183605757535
Energy: 0.6274027276795896
Energy: 0.6611183605757535
Energy: 0.6274027276802524
Energy: 0.6611183605757535
Energy: 0.6595692229226431
Energy: 0.6144483185760681
Energy: 0.6595692229226431
Energy: 0.6144483185820326
Energy: 0.6595692229213176
Energy: 0.6144483185740798
Energy: 0.48609625698437037
Energy: 0.6246838029125991
Energy: 0.4868042132379862
Energy: 0.6246838029132016
Energy: 0.5608300662161834
Energy: 0.6246838029132016
Energy: 0.6070246287805928
Energy: 0.659940576514759
Energy: 0.6070246287812556
Energy: 0.659940576514759
Energy: 0.6070246287805928
Energy: 0.659940576514759
Energy: 0.5739122127632513
Energy: 0.6365946709077523
Energy: 0.573912212763914
Energy: 0.636594670909078
Energy: 0.5739122127632513
Energy: 0.636594670909078

minimum gb energy = 0.48609625698437037 eV
minimum distance =  2.36743732910522 Angstroms
sigma value = 43


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

Energy: 0.5697072487649603
Energy: 0.5237555086962381
Energy: 0.5697072487639946
Energy: 0.5237555086962381
Energy: 0.5697072487630288
Energy: 0.5237555086962381
Energy: 0.5912048601590962
Energy: 0.5845727539170179
Energy: 0.5912048601581305
Energy: 0.5845727539179836
Energy: 0.5912048601595791
Energy: 0.5845727539175009
Energy: 0.5918483944560765
Energy: 0.5833398539670636
Energy: 0.5918483944560765
Energy: 0.5833398539675464
Energy: 0.5918483944551547
Energy: 0.5833398539675464
Energy: 0.6181423527460634
Energy: 0.5734087455089506
Energy: 0.6181423527465464
Energy: 0.5734087455079848
Energy: 0.6181423527479949
Energy: 0.5734087455084677
Energy: 0.5923286189664421
Energy: 0.544160861008303
Energy: 0.5923286189732024
Energy: 0.544160861008303
Energy: 0.5923286189664421
Energy: 0.5441608610068542
Energy: 0.5214559377035302
Energy: 0.5200598061069955
Energy: 0.5214559377049789
Energy: 0.5200598061065127
Energy: 0.5214559377035302
Energy: 0.5200598061060298
Energy: 0.49143860551255536
Energy: 0.5635553241646437
Energy: 0.4914386054088242
Energy: 0.5635553241641609
Energy: 0.4914386050496941
Energy: 0.5635553241646437
Energy: 0.5916441633344993
Energy: 0.46801809887255247
Energy: 0.5916441633344993
Energy: 0.46801809887158674
Energy: 0.591644163335465
Energy: 0.4680180988720696
Energy: 0.5065355666318665
Energy: 0.510643693106992
Energy: 0.5065355666313838
Energy: 0.5106436931074748
Energy: 0.5065355666309008
Energy: 0.5106436931079578
Energy: 0.5981452052111406
Energy: 0.5377141212884924
Energy: 0.5981452052116235
Energy: 0.5377141212875266
Energy: 0.5981452052116235
Energy: 0.5377141212880095
Energy: 0.6602598177137914
Energy: 0.4838753778546807
Energy: 0.6602598177137914
Energy: 0.4838753720158879
Energy: 0.6602598177137914
Energy: 0.4838753560638168
Energy: 0.5134748217980913
Energy: 0.5119179164309489
Energy: 0.5134748217985742
Energy: 0.5119179164295001
Energy: 0.5134748217985742
Energy: 0.5119179164290172
Energy: 0.5983086195075722
Energy: 0.5122364677171173
Energy: 0.5983086195075722
Energy: 0.5122364677171173
Energy: 0.5983086195075722
Energy: 0.5122364677176001
Energy: 0.6517761159381749
Energy: 0.49104001974039746
Energy: 0.6517761159381749
Energy: 0.4910394625895037
Energy: 0.6517761159386577
Energy: 0.4910387337490939
Energy: 0.5301214172829545
Energy: 0.5130054634967872
Energy: 0.5301214172839201
Energy: 0.5130054634972702
Energy: 0.5301214172834373
Energy: 0.5130054634963044
Energy: 0.5446585059821675
Energy: 0.5215154158414378
Energy: 0.5446585059812016
Energy: 0.5215154158414378
Energy: 0.54465850597927
Energy: 0.521515415840955
Energy: 0.4916835920721032
Energy: 0.44942801403772387
Energy: 0.4916835917714016
Energy: 0.4495520577858604
Energy: 0.4916835905869441
Energy: 0.4494602524765644
Energy: 0.5456854920066156
Energy: 0.48974354403996484
Energy: 0.5456854920066156
Energy: 0.4897435440404477
Energy: 0.5456854920070985
Energy: 0.48974354403851617
Energy: 0.5206687333526139
Energy: 0.5421754997376798
Energy: 0.5206687333521309
Energy: 0.5421754997376798
Energy: 0.5206687333526139
Energy: 0.5421754997391285
Energy: 0.5229873571492987
Energy: 0.5084078573221287
Energy: 0.5229873571497815
Energy: 0.5084078573235772
Energy: 0.5229873571492987
Energy: 0.5084078573163342
Energy: 0.5868446719351647
Energy: 0.5383653994889376
Energy: 0.5868446719351647
Energy: 0.5383653994889376
Energy: 0.586844671934199
Energy: 0.5383653994874888
Energy: 0.5910921580441899
Energy: 0.5880434155510891
Energy: 0.5910921580441899
Energy: 0.5880434155510891
Energy: 0.5910921580441899
Energy: 0.588043415551572
Energy: 0.5574441481505135
Energy: 0.5840029050459905
Energy: 0.5574441481500746
Energy: 0.5840029050450248
Energy: 0.5574441481505135
Energy: 0.5840029050459905
Energy: 0.5408001645904851
Energy: 0.5267308201161043
Energy: 0.5408001645842077
Energy: 0.5267308201156214
Energy: 0.5408001645682726
Energy: 0.5267308201146557
Energy: 0.5454109982937672
Energy: 0.5376250850385755
Energy: 0.5454109982937672
Energy: 0.5376250850405071
Energy: 0.5454109982937672
Energy: 0.5376250850405071
Energy: 0.5485518664028158
Energy: 0.5664681612866381
Energy: 0.5485518664032988
Energy: 0.5664681612861552
Energy: 0.5485518664028158
Energy: 0.5664681612856722
Energy: 0.4333926000078786
Energy: 0.5062474368375851
Energy: 0.4348275860432496
Energy: 0.5062474368375851
Energy: 0.5803596712360214
Energy: 0.5062474368366194
Energy: 0.5141961355089769
Energy: 0.5665342407973577
Energy: 0.5141961355099426
Energy: 0.566534240799772
Energy: 0.5141961355094599
Energy: 0.5665342407992893
Energy: 0.5051044865025192
Energy: 0.5376129834577626
Energy: 0.5051044865034849
Energy: 0.5376129834577626
Energy: 0.5051044865034849
Energy: 0.5376129834572797
Energy: 0.5273192805657212
Energy: 0.46826390313288907
Energy: 0.5273192805652384
Energy: 0.46796998641904997
Energy: 0.5273192805628241
Energy: 0.4291800734314657
Energy: 0.45227680792772235
Energy: 0.5700343526545245
Energy: 0.45227680792917097
Energy: 0.5700343526550073
Energy: 0.5034732949126669
Energy: 0.5700343526535586
Energy: 0.5056687481636347
Energy: 0.5222656164436786
Energy: 0.5056687481636347
Energy: 0.5222656164431957
Energy: 0.5056687481641176
Energy: 0.5222656164431957
Energy: 0.5109190649101331
Energy: 0.5760724814374861
Energy: 0.5109190648966124
Energy: 0.5760724814374861
Energy: 0.5109190648574993
Energy: 0.5760724814370033
Energy: 0.4864193584624967
Energy: 0.43881280204603945
Energy: 0.48641935288336086
Energy: 0.43891086800288465
Energy: 0.4864192841413738
Energy: 0.4388276651677235
Energy: 0.5058440250236838
Energy: 0.5058028784381322
Energy: 0.5058440250232449
Energy: 0.5058028784390979
Energy: 0.5058440250236838
Energy: 0.5058028784381322
Energy: 0.4606644103262087
Energy: 0.4985638700364717
Energy: 0.46066441032669164
Energy: 0.4985638700359888
Energy: 0.46066441032669164
Energy: 0.4985638700326086

minimum gb energy = 0.4291800734314657 eV
minimum distance =  2.35593640036847 Angstroms
sigma value = 81


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

Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: 0.7344746831288961
Energy: 0.041306074739098364
Energy: 0.7344746831288961
Energy: 0.04130607474087257
Energy: 0.7344746831288961
Energy: 0.041306074739098364
Energy: 0.7344700685881772
Energy: 0.04109182446428686
Energy: 0.7344700685881772
Energy: 0.04109182446073844
Energy: 0.7344700685881772
Energy: 0.04109182446428686
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: -0.034422553592780646
Energy: -0.0068432513960575755
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: 0.7344746831288961
Energy: 0.04130607473377574
Energy: 0.7344746831288961
Energy: 0.04130607473377574
Energy: 0.7344746831288961
Energy: 0.04130607473200153
Energy: 0.7344700685881772
Energy: 0.041091824474932113
Energy: 0.7344700685881772
Energy: 0.041091824474932113
Energy: 0.7344700685881772
Energy: 0.0410918244731579
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: 0.7344746831288961
Energy: 0.04130607472490469
Energy: 0.7344746831306701
Energy: 0.04130607472490469
Energy: 0.7344746831306701
Energy: 0.04130607472313048
Energy: 0.7344700685899515
Energy: 0.04109182448202895
Energy: 0.7344700685881772
Energy: 0.04109182448380316
Energy: 0.7344700685881772
Energy: 0.04109182448557736
Energy: -0.034422553592780646
Energy: -0.006843251394283366
Energy: -0.034422553592780646
Energy: -0.0068432513960575755
Energy: -0.034422553592780646
Energy: -0.0068432513960575755

minimum gb energy = -0.034422553592780646 eV
minimum distance =  2.52924490368985 Angstroms
sigma value = 3


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

Energy: 0.3619440043124412
Energy: 0.35468955248555434
Energy: 0.3619440043129722
Energy: 0.35468955248555434
Energy: 0.3619440043129722
Energy: 0.35468955248555434
Energy: 0.22007222316958758
Energy: 0.28282113428610467
Energy: 0.22007222317011849
Energy: 0.28282113428610467
Energy: 0.2200722231669329
Energy: 0.28282113428610467
Energy: 0.34164865600303
Energy: 0.268121511404978
Energy: 0.3416486559945351
Energy: 0.2681215114039161
Energy: 0.341648655955294
Energy: 0.268121511404447
Energy: 0.2971003635482322
Energy: 0.28544450292843243
Energy: 0.2971003635487632
Energy: 0.28544446388418504
Energy: 0.2971003635482322
Energy: 0.28544440792809406
Energy: 0.28799175925659526
Energy: 0.2832271882130478
Energy: 0.28799175925606435
Energy: 0.2832271882130478
Energy: 0.2879917592571262
Energy: 0.28322718821357873
Energy: 0.3358896575329677
Energy: 0.2991780159437867
Energy: 0.3358896575207561
Energy: 0.2991780159437867
Energy: 0.3358896574873071
Energy: 0.2991780159443176
Energy: 0.31350156174582783
Energy: 0.4333103115610798
Energy: 0.31350156174529686
Energy: 0.4333103115610798
Energy: 0.31350156174582783
Energy: 0.4333103115616108
Energy: 0.15152606983497946
Energy: 0.2855742186853471
Energy: 0.1515260698355104
Energy: 0.2855742186853471
Energy: 0.1515260698365723
Energy: 0.2855742186853471
Energy: 0.3470587024544737
Energy: 0.3103708932279566
Energy: 0.34705870245500464
Energy: 0.3103708932279566
Energy: 0.3470587024544737
Energy: 0.3103708932279566
Energy: 0.31320190872672155
Energy: 0.2781906333809176
Energy: 0.31320190872672155
Energy: 0.278190633278495
Energy: 0.31320190872672155
Energy: 0.27819063310125847
Energy: -1.2485523202382767
Energy: 0.2855029700107692
Energy: -1.1855125286910408
Energy: 0.2855029700102382
Energy: -1.32466690300278
Energy: 0.28550297001236197
Energy: 0.36001033743163996
Energy: 0.3551524679119127
Energy: 0.36001033846653296
Energy: 0.35515216902298213
Energy: 0.36001032638139036
Energy: 0.3551517110186631
Energy: 0.284924284041667
Energy: 0.24635536946540934
Energy: 0.28492428404219794
Energy: 0.24635536946434747
Energy: 0.28492428404219794
Energy: 0.24635536946487843
Energy: 0.42242377688277166
Energy: 0.2658451176615314
Energy: 0.4224237768838335
Energy: 0.2658451176620623
Energy: 0.42242377688277166
Energy: 0.26584511766046953
Energy: 0.3132479977372371
Energy: 0.3390198876293635
Energy: 0.3132479977372371
Energy: 0.33901988762352325
Energy: 0.3132479977372371
Energy: 0.33901988761396634
Energy: 0.2847236450094712
Energy: 0.28951174598651164
Energy: 0.28472364500840935
Energy: 0.2895117459859807
Energy: 0.28472364500894026
Energy: 0.28951174598491874
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Energy: 0.41144713629887447
Energy: 0.261317547819448
Energy: 0.41144713629887447
Energy: 0.26131754780670546
Energy: 0.41144713629887447
Energy: 0.27122809337949105
Energy: 0.29850162026498744
Energy: 0.27122809338002196
Energy: 0.29850158739438043
Energy: 0.27122809338002196
Energy: 0.2985015504984495
Energy: 0.2843232826682666
Energy: 0.22485623144058495
Energy: 0.2843232826677357
Energy: 0.2248562314427087
Energy: 0.2843232826682666
Energy: 0.22485623144642528
Energy: 0.316722280858913
Energy: 0.32576087670179965
Energy: 0.31672228072410336
Energy: 0.32576087670179965
Energy: 0.3167222802841495
Energy: 0.32576087670179965
Energy: 0.269432637090124
Energy: 0.14680535784391796
Energy: 0.269432637090124
Energy: 0.14680535784497983
Energy: 0.26943263708959303
Energy: 0.1468053578444489
Energy: 0.27021892224880406
Energy: 0.29701817562836047
Energy: 0.27021892224880406
Energy: 0.2970181756288914
Energy: 0.27021892224880406
Energy: 0.2970181756278295
Energy: 0.3295615288998339
Energy: 0.27176846697665163
Energy: 0.28081348487687474
Energy: 0.27176846697665163
Energy: 0.2805961535539096
Energy: 0.27176846697718254
Energy: 0.2509656905605349
Energy: 0.1492497806079539
Energy: 0.2508658280112807
Energy: 0.14924978060742297
Energy: 0.21978290978106463
Energy: 0.14924978060742297
Energy: 0.2842924321344103
Energy: 0.32131224137480063
Energy: 0.28429243213494126
Energy: 0.321312241173672
Energy: 0.28429243213494126
Energy: 0.3213122410277125
Energy: 0.3405858540615703
Energy: 0.2831326512210441
Energy: 0.3405858540615703
Energy: 0.28313265122157505
Energy: 0.3405858540610394
Energy: 0.28313265122157505
Energy: 0.31146872725561
Energy: 0.20316899733414512
Energy: 0.3114687117161422
Energy: 0.2031689973336142
Energy: 0.311468654050675
Energy: 0.20316899733414512
Energy: 0.31293409746266265
Energy: 0.35368008203689133
Energy: 0.3129340974621317
Energy: 0.3536800820347676
Energy: 0.31293409746266265
Energy: 0.35368008203582946
Energy: 0.3850036328725968
Energy: 0.2830088931230711
Energy: 0.38500363287206585
Energy: 0.2830088931230711
Energy: 0.38500363287206585
Energy: 0.283008893123602
Energy: 0.31476080743363655
Energy: 0.4194068494514071
Energy: 0.3147608074394768
Energy: 0.41940684945459267
Energy: 0.3147608073816047
Energy: 0.4194068494524689
Energy: 0.33860044509174353
Energy: 0.35157014561354094
Energy: 0.3386004450906816
Energy: 0.3515701456146028
Energy: 0.33860044509121257
Energy: 0.35157014561407185
Energy: 0.35051038473126866
Energy: 0.2986232189877604
Energy: 0.3505103847302068
Energy: 0.2986232189877604
Energy: 0.3505103847302068
Energy: 0.2986232189877604
Energy: 0.2693248768619048
Energy: 0.33160674732274303
Energy: 0.2693248768613739
Energy: 0.3316067473195574
Energy: 0.269324876860843
Energy: 0.3316067473206193

minimum gb energy = -1.32466690300278 eV
minimum distance =  2.37153504812147 Angstroms
sigma value = 67


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

Energy: 0.6115605583238651
Energy: 0.426763955705959
Energy: 0.6115605583238651
Energy: 0.4267639557067155
Energy: 0.6115605583246216
Energy: 0.4267639557067155
Energy: 0.41212978322060617
Energy: 0.05101137281230354
Energy: 0.4121297832190931
Energy: 0.05101137280700786
Energy: 0.41212978322060617
Energy: 0.051011372810033956
Energy: 0.4754053444641074
Energy: 0.046829763869527884
Energy: 0.47540534446335087
Energy: 0.04682976386574526
Energy: 0.4754053444641074
Energy: 0.04682976386801483
Energy: 0.05943003238480329
Energy: 0.5076174138918488
Energy: 0.05943003238707286
Energy: 0.5076174138910923
Energy: 0.0594300323938816
Energy: 0.5076174138926053
Energy: 0.4611459526907992
Energy: 0.2733275674280496
Energy: 0.46114595269231223
Energy: 0.27332756742729303
Energy: 0.46114595269155567
Energy: 0.27332756742729303
Energy: 0.4850391519289922
Energy: 0.42616028367128606
Energy: 0.4850391519282357
Energy: 0.42616028367204256
Energy: 0.4850391519282357
Energy: 0.42616028367204256
Energy: 0.308558443527707
Energy: 0.49446672470846353
Energy: 0.3085584435292201
Energy: 0.4944667247046809
Energy: 0.30855844352846357
Energy: 0.4944667247061939
Energy: 0.5508605786638394
Energy: 0.28689709573647276
Energy: 0.5508605786630829
Energy: 0.28689709573722927
Energy: 0.5508605786623264
Energy: 0.28689709573722927
Energy: 0.49881074217173604
Energy: -2.237963223014729
Energy: 0.49881074217249255
Energy: -2.211957436444546
Energy: 0.4988107421838405
Energy: -2.2298265241403596
Energy: 0.43078361255934894
Energy: 0.4627517665238947
Energy: 0.43078361255934894
Energy: 0.4627517665238947
Energy: 0.43078361255934894
Energy: 0.4627517665246512
Energy: 0.4450348786649978
Energy: 0.4319075541943645
Energy: 0.4450345767593616
Energy: 0.431907554195121
Energy: 0.4450337471188554
Energy: 0.43190755419587745
Energy: 0.42904609904375957
Energy: 0.42023994419419286
Energy: 0.4290460990445161
Energy: 0.42021076020373566
Energy: 0.4290460990430031
Energy: 0.42016006807071343
Energy: 0.43093288031323
Energy: 0.43837898181142204
Energy: 0.4309328803124735
Energy: 0.4383789818121786
Energy: 0.43093288031323
Energy: 0.43837898181142204
Energy: 0.4685849412447034
Energy: 0.06485186533702277
Energy: 0.4685849412447034
Energy: 0.06485186533399667
Energy: 0.4685849412439469
Energy: 0.06485186533097057
Energy: 0.3698579233102996
Energy: 0.39428505303224753
Energy: 0.36985792331105616
Energy: 0.394285053031491
Energy: 0.36985792331105616
Energy: 0.39428505303747446
Energy: 0.05946447648941684
Energy: 0.4413063821400571
Energy: 0.059464476490173356
Energy: 0.4413063821393005
Energy: 0.0594644764886603
Energy: 0.4413063821400571
Energy: 0.4941874351579867
Energy: 0.06213356191336576
Energy: 0.49418743512855096
Energy: 0.062133561915635335
Energy: 0.49418743504987234
Energy: 0.062133561914878815
Energy: 0.3444496874796186
Energy: 0.4344282713011483
Energy: 0.3444496874796186
Energy: 0.4344282713011483
Energy: 0.3444496874796186
Energy: 0.4344282713003918
Energy: 0.5201979861318656
Energy: 0.47241406109202316
Energy: 0.5201979842776906
Energy: 0.47241406109202316
Energy: 0.5201979855443204
Energy: 0.4724140610942926
Energy: 0.43766945665968954
Energy: 0.0512536492315418
Energy: 0.4376694566551504
Energy: 0.051253649230028744
Energy: 0.4376694566604461
Energy: 0.0512536492315418
Energy: -2.396759163089308
Energy: 0.4416790257432384
Energy: -2.462928072177372
Energy: 0.44167902574248186
Energy: -2.5415445371629555
Energy: 0.44167902574248186
Energy: 0.27317666759856685
Energy: -2.2621464479117424
Energy: 0.27317666759932335
Energy: -2.2158337492893923
Energy: 0.27317666759856685
Energy: -2.1636886412823544
Energy: 0.47344820357146084
Energy: 0.047234627503249256
Energy: 0.4734482035722174
Energy: 0.047234627502492736
Energy: 0.47344820357146084
Energy: 0.047234627503249256

minimum gb energy = -2.5415445371629555 eV
minimum distance =  2.36491481579645 Angstroms
sigma value = 33


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

Energy: 0.45073413551231606
Energy: 0.5672233486635215
Energy: 0.4507341355113562
Energy: 0.5672233486635215
Energy: 0.4507341355118361
Energy: 0.5672233486640015
Energy: 0.49359518418552534
Energy: 0.3836009335704886
Energy: 0.4935951841845655
Energy: 0.3836009335704886
Energy: 0.49359518418648524
Energy: 0.3836009335709685
Energy: 0.432313368655832
Energy: 0.37078446165972034
Energy: 0.4323133686587116
Energy: 0.3707844616592404
Energy: 0.4323133686572717
Energy: 0.37078446165780055
Energy: 0.38924836711776156
Energy: 0.6055553777722695
Energy: 0.38924836711776156
Energy: 0.6055553777717896
Energy: 0.38924836711632177
Energy: 0.6055553777727494
Energy: 0.582055898423526
Energy: 0.4175164520627312
Energy: 0.5820558984225662
Energy: 0.4175164520622513
Energy: 0.582055898423526
Energy: 0.4175164520617713
Energy: -1.253678112291428
Energy: 0.605471169911703
Energy: -1.2554420427697774
Energy: -0.7193218209610737
Energy: -0.9988924485235746
Energy: 0.579950148408036
Energy: 0.37102561089879266
Energy: 0.6077126455020402
Energy: 0.3710256108978328
Energy: 0.60771264550252
Energy: 0.3710256108983127
Energy: 0.6077126455015602
Energy: 0.677252168232893
Energy: 0.5623683660674409
Energy: 0.6772521682314533
Energy: 0.562368366066961
Energy: 0.6772521682314533
Energy: 0.562368366066961
Energy: 0.5256689903799859
Energy: 0.5594511379767613
Energy: 0.5256689903795061
Energy: 0.559451137978681
Energy: 0.5256689903799859
Energy: 0.5594511379719621
Energy: 0.07126437523988546
Energy: 0.6360710092497744
Energy: 0.07126437524132523
Energy: 0.6796178413897329
Energy: 0.07126437524036537
Energy: 0.567189121336011
Energy: 0.5876437266028145
Energy: 0.4211953666919267
Energy: 0.5876437266042543
Energy: 0.4211953666919267
Energy: 0.5876437266023345
Energy: 0.42119536669288654
Energy: 0.508039531734929
Energy: 0.5394465115291183
Energy: 0.508039531735409
Energy: 0.5394465115276785
Energy: 0.5080395317368488
Energy: 0.5394465115281585
Energy: 0.08224747897939616
Energy: 0.45264591910332985
Energy: 0.08224747897603668
Energy: 0.45264591910332985
Energy: 0.08224747898083591
Energy: 0.4526459191042897
Energy: 0.5169215968787265
Energy: 0.38286546329211446
Energy: 0.5169215968792066
Energy: 0.38286546329115456
Energy: 0.5169215968782467
Energy: 0.38286546329211446
Energy: 0.4531511123982208
Energy: 0.5310005658281642
Energy: 0.4531511123982208
Energy: 0.531000565829124
Energy: 0.453151112397261
Energy: 0.5310005658300839
Energy: 0.39037707086752493
Energy: 0.5231500810940038
Energy: 0.3903770708684848
Energy: 0.523150081079606
Energy: 0.3903770708684848
Energy: 0.5231500810508105
Energy: 0.5864600203232032
Energy: 0.3709049033797837
Energy: 0.5864600203222434
Energy: 0.370904903378344
Energy: 0.5864600203222434
Energy: 0.3709049033793038
Energy: 0.4523169476719276
Energy: -1.2422850067253433
Energy: 0.4523185864419769
Energy: -1.299260682344174
Energy: 0.4523141969977009
Energy: -1.3196346535148378
Energy: 0.49047327926349504
Energy: 0.6365955439513551
Energy: 0.49047327926253514
Energy: 0.6365955439499589
Energy: 0.4904732792620553
Energy: 0.636595543950875
Energy: 0.60740289356463
Energy: 0.38375048534437894
Energy: 0.6074028935660698
Energy: 0.3837504853434191
Energy: 0.6074028935665498
Energy: 0.3837504853434191
Energy: 0.37203581897432614
Energy: 0.5217059840164608
Energy: 0.37203581897288635
Energy: 0.5217059839114445
Energy: 0.3720358189738462
Energy: 0.5217059837747093
Energy: 0.4824312868632203
Energy: 0.5689270513390666
Energy: 0.4824312868622604
Energy: 0.5689270513385867
Energy: 0.4824312868627404
Energy: 0.5689270513385867
Energy: 0.6138700148084234
Energy: 0.3934448975002547
Energy: 0.613870005159047
Energy: 0.39344489749833494
Energy: 0.6138699785441397
Energy: 0.39344489749833494
Energy: 0.07272788180596014
Energy: 0.5209238850903009
Energy: 0.07272788180691998
Energy: 0.5209238850903009
Energy: 0.07272788180452038
Energy: 0.5209238850903009
Energy: 0.3750983952646385
Energy: 0.5209615259356014
Energy: 0.3750983952646385
Energy: 0.5209615259351215
Energy: 0.3750983952641586
Energy: 0.5209615259351215
Energy: 0.6800059015184735
Energy: 0.5243685071007756
Energy: 0.6800059015199132
Energy: 0.5243685071012556
Energy: 0.6800059015203932
Energy: 0.5243685070988559
Energy: 0.3722151873033563
Energy: 0.5590267532664713
Energy: 0.3722151873023965
Energy: 0.5590267532655115
Energy: 0.3722151873014366
Energy: 0.5590267532674312
Energy: 0.37259985112660676
Energy: 0.5978455804360704
Energy: 0.3725998511256469
Energy: -0.6635019571333899
Energy: 0.372599851125167
Energy: -0.313183195355144
Energy: 0.6140349650499143
Energy: 0.39421960101112624
Energy: 0.6140349650503942
Energy: 0.39421960101112624
Energy: 0.6140349650508742
Energy: 0.3942196010101664
Energy: 0.39068111124666316
Energy: 0.607218995261062
Energy: 0.39068111124714305
Energy: 0.6072189952620219
Energy: 0.39068111124570326
Energy: 0.6072189952620219
Energy: 0.472817834782434
Energy: -1.0162365952576435
Energy: -0.9339296782948272
Energy: -1.466215364862763
Energy: -0.9577650077990221
Energy: -1.3146666623570895
Energy: 0.5727666788313085
Energy: 0.3810552292839433
Energy: 0.5727666788322684
Energy: 0.38105522928346336
Energy: 0.5727666788317884
Energy: 0.3810552292829834
Energy: 0.49051167421341063
Energy: 0.5214065592956578
Energy: 0.4905116742148505
Energy: 0.5214065592419063
Energy: 0.49051167421389064
Energy: 0.5214065591570032
Energy: 0.2534363312839524
Energy: 0.3838039831834155
Energy: 0.2534363312858721
Energy: 0.3838039831862951
Energy: 0.2534363312849123
Energy: 0.3838039831853352
Energy: 0.5454958169815062
Energy: 0.37159717431246614
Energy: 0.5454958169810261
Energy: 0.37159717431246614
Energy: 0.5454958169815062
Energy: 0.3715971743139059
Energy: 0.08271803723547182
Energy: 0.468318109241925
Energy: 0.0827180372388313
Energy: 0.4683181092404852
Energy: 0.08271803723163242
Energy: 0.4683181092409652
Energy: 0.511660587407307
Energy: 0.4914020382083643
Energy: 0.511660587407307
Energy: 0.49140203820884426
Energy: 0.511660587407307
Energy: 0.49140203820980416

minimum gb energy = -1.466215364862763 eV
minimum distance =  2.37996247038656 Angstroms
sigma value = 41


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

Energy: 0.7011303950531061
Energy: 0.7287657156180392
Energy: 0.7011303950531061
Energy: 0.7287657156180392
Energy: 0.7011303950531061
Energy: 0.7287657156193496
Energy: 0.7555638207140393
Energy: 0.7267924189168938
Energy: 0.7555638207140393
Energy: 0.7267924189155835
Energy: 0.7555638207140393
Energy: 0.7267924189155835
Energy: 0.8217362118067438
Energy: 0.7250294568678464
Energy: 0.9318208541962625
Energy: 0.7250294568691568
Energy: 0.7968365002438007
Energy: 0.7250294568691568
Energy: 0.6975031569698558
Energy: 0.8130392516721262
Energy: 0.6975031569698558
Energy: 0.8130392516734365
Energy: 0.6975031569698558
Energy: 0.8130392516721262
Energy: 0.7933891928504133
Energy: 0.7324753607929526
Energy: 0.793389192849103
Energy: 0.7324753607929526
Energy: 0.793389192849103
Energy: 0.7324753607929526
Energy: 0.8111316000873148
Energy: 0.8074373822663604
Energy: 0.8111316000885656
Energy: 0.8074373822663604
Energy: 0.8111316000873148
Energy: 0.8074373822663604
Energy: 0.6941376786589656
Energy: 0.7746598841112965
Energy: 0.6941376786589656
Energy: 0.7746598841112965
Energy: 0.6941376786589656
Energy: 0.7746598841112965
Energy: 0.7422750737843476
Energy: 0.7273306484166183
Energy: 0.7422750737843476
Energy: 0.7273306484166183
Energy: 0.7422750737843476
Energy: 0.7273306484166183
Energy: 0.7604922356268472
Energy: 0.748302763677162
Energy: 0.7604922356268472
Energy: 0.748302763677162
Energy: 0.7604922356268472
Energy: 0.7483027636784723
Energy: 0.6965362411734896
Energy: 0.7979743660773516
Energy: 0.6965362411734896
Energy: 0.7979743660773516
Energy: 0.6965362411734896
Energy: 0.7979743660773516
Energy: 0.7545840461820743
Energy: 0.7252473660759328
Energy: 0.7545840461820743
Energy: 0.7252473660759328
Energy: 0.7545840461820743
Energy: 0.7252473660759328
Energy: 0.7540284131172765
Energy: 0.7257903694483561
Energy: 0.7540284131198972
Energy: 0.7257903694483561
Energy: 0.7540284131198972
Energy: 0.7257903694483561
Energy: 0.7310486924729378
Energy: 0.8100724050767835
Energy: 0.7310486924729378
Energy: 0.8100724050754731
Energy: 0.7310486924729378
Energy: 0.8100724050767835
Energy: 0.7925241179106048
Energy: 0.7267676772409318
Energy: 0.7925241179092944
Energy: 0.7267676772409318
Energy: 0.7925241179092944
Energy: 0.7267676772409318

minimum gb energy = 0.6941376786589656 eV
minimum distance =  2.37072993008733 Angstroms
sigma value = 11


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

Energy: 0.8529750569753297
Energy: 0.9158054873649456
Energy: 0.8529750569747542
Energy: 0.9158054873643698
Energy: 0.8529750569741786
Energy: 0.9158054873643698
Energy: 0.9102430075093754
Energy: 0.8675462672121161
Energy: 0.9102430075099511
Energy: 0.8675462672121161
Energy: 0.9102430075099511
Energy: 0.8675462672115404
Energy: 1.004742731718862
Energy: 0.8844597249192787
Energy: 1.0047427317182867
Energy: 0.8844597249192787
Energy: 1.004742731718862
Energy: 0.8844597249192787
Energy: 0.8475897082333145
Energy: 0.9551193941394038
Energy: 0.8475897082333145
Energy: 0.9551193941394038
Energy: 0.8475897082327387
Energy: 0.9551193941405551
Energy: 0.9812798312436183
Energy: 0.9084651950202174
Energy: 0.9812798192861968
Energy: 0.9084651950196417
Energy: 0.9812797796831989
Energy: 0.9084651950196417
Energy: 0.8780311898550344
Energy: 0.9276520904392574
Energy: 0.8780311898544588
Energy: 0.9276520904392574
Energy: 0.8780311898550344
Energy: 0.9276520904386819
Energy: 0.8732570454412598
Energy: 1.003628829109323
Energy: 0.8732570454412598
Energy: 1.0036288291098985
Energy: 0.8732570454412598
Energy: 1.003628829109323
Energy: 0.9677578004331926
Energy: 0.863613290669134
Energy: 0.967757800432617
Energy: 0.8636132906685584
Energy: 0.967757800432617
Energy: 0.8636132906685584
Energy: 0.9570950904389842
Energy: 0.8645725967313664
Energy: 0.9570950904395598
Energy: 0.8645725967313664
Energy: 0.9570950904378329
Energy: 0.8645725967313664
Energy: 0.8968635933259088
Energy: 0.9663793944245241
Energy: 0.8968635933259088
Energy: 0.9663793944233728
Energy: 0.8968635933259088
Energy: 0.9663793944250997
Energy: 0.9657909142094083
Energy: 0.8995973751152024
Energy: 0.9657909142094083
Energy: 0.899597375115778
Energy: 0.9657909142094083
Energy: 0.8995973751192317
Energy: 0.9560974663677847
Energy: 0.9297165966295505
Energy: 0.9560974663677847
Energy: 0.929716596628975
Energy: 0.9560974663672092
Energy: 0.929716596628975
Energy: 0.8660892267939482
Energy: 0.9520484908857135
Energy: 0.8660892267939482
Energy: 0.9520484908851379
Energy: 0.8660892267945237
Energy: 0.9520484908857135
Energy: 1.0267501781493107
Energy: 0.8589253770630189
Energy: 1.0267501781493107
Energy: 0.8589253770635944
Energy: 1.0267501781493107
Energy: 0.8589253770630189
Energy: 0.9302040348446825
Energy: 0.884343869384708
Energy: 0.9454422974823629
Energy: 0.8843438693841323
Energy: 0.9454422974823629
Energy: 0.8843438693841323
Energy: 0.8820134434332845
Energy: 0.9463835121059525
Energy: 0.8820134434344357
Energy: 0.9463835121065282
Energy: 0.8820134434338601
Energy: 0.9463835121071037
Energy: 0.9461396763753853
Energy: 0.8917302484871881
Energy: 0.9461396763748098
Energy: 0.8917302484871881
Energy: 0.9461396763748098
Energy: 0.8917302484866124
Energy: 0.9411671972327365
Energy: 0.9417058395952295
Energy: 0.9411671972356145
Energy: 0.9417058395946539
Energy: 0.9411671972350389
Energy: 0.9417058395952295
Energy: 0.8969769783121916
Energy: 0.9385260108283068
Energy: 0.896976978311616
Energy: 0.9385260108283068
Energy: 0.8969769783121916
Energy: 0.9385260108283068
Energy: 0.9321148065750515
Energy: 0.8793322761769581
Energy: 0.9321148064893088
Energy: 0.8793322761769581
Energy: 0.9321148062309821
Energy: 0.8793322761769581
Energy: 0.8789898870499697
Energy: 0.9231809411768613
Energy: 0.8789898870499697
Energy: 0.9231809411768613
Energy: 0.8789898870447891
Energy: 0.9231809411768613
Energy: 0.8255025816182309
Energy: 0.9995416722659852
Energy: 0.8255025816176553
Energy: 0.9995416722648339
Energy: 0.8255025816176553
Energy: 0.9995416722648339
Energy: 0.9748100091499693
Energy: 0.8851919615124324
Energy: 0.9748100091499693
Energy: 0.8851919615124324
Energy: 0.9748100091493935
Energy: 0.8851919615124324
Energy: 0.9581379536992642
Energy: 0.8679676791581107
Energy: 0.9581379536998398
Energy: 0.8679676791581107
Energy: 0.9581379536992642
Energy: 0.867967679157535
Energy: 0.8963357596217295
Energy: 0.9535618523747753
Energy: 0.896335759622305
Energy: 0.9535618523753508
Energy: 0.8963357596217295
Energy: 0.9535618523753508
Energy: 0.9830964919638387
Energy: 0.8850033393292939
Energy: 0.9830964919638387
Energy: 0.8850033393298696
Energy: 0.9830964919644143
Energy: 0.8850033393292939
Energy: 0.8905135947540945
Energy: 1.0150306093766879
Energy: 0.8905135947546703
Energy: 1.0150306093766879
Energy: 0.8905135947540945
Energy: 1.0150306093766879
Energy: 0.8665904440361129
Energy: 0.9210879287529202
Energy: 0.8665904440315079
Energy: 0.921087928753496
Energy: 0.8665904440320835
Energy: 0.921087928753496
Energy: 0.9571362293269103
Energy: 0.8570917503253819
Energy: 0.9571362293274861
Energy: 0.8570917503207768
Energy: 0.9571362293274861
Energy: 0.8570917503271086
Energy: 0.9086677124185673
Energy: 0.8892774824919424
Energy: 0.9086677124191429
Energy: 0.8892774824913668
Energy: 0.9086677124185673
Energy: 0.8892774824913668
Energy: 0.8957201245388834
Energy: 0.9929476129692247
Energy: 0.8957201245383078
Energy: 0.9929476129698005
Energy: 0.8957201245388834
Energy: 0.9929476129686491

minimum gb energy = 0.8255025816176553 eV
minimum distance =  2.31957053131953 Angstroms
sigma value = 57


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

Energy: 0.9676966344400794
Energy: 1.017898561643786
Energy: 0.9676966344400794
Energy: 1.017898561643786
Energy: 0.9676966344400794
Energy: 1.017898561643786
Energy: 0.9625305992384751
Energy: 1.195589030567956
Energy: 0.9625305992394991
Energy: 1.195589030567956
Energy: 0.9625305992394991
Energy: 1.1955890305689802
Energy: 1.1365466247239728
Energy: 1.023540511792522
Energy: 1.1365466247249973
Energy: 1.023540511792522
Energy: 1.1365466247239728
Energy: 1.023540511792522
Energy: 0.9591070068914367
Energy: 1.2295179814149353
Energy: 0.9591070068914367
Energy: 1.104605674399537
Energy: 0.959107006892461
Energy: 1.1046056743985126
Energy: 1.1365161813394071
Energy: 1.0234086778474394
Energy: 1.1365161813383828
Energy: 1.0234086778464149
Energy: 1.1365161813383828
Energy: 1.0234086778474394
Energy: 0.9624665622450626
Energy: 1.1825609209202796
Energy: 0.9624665622450626
Energy: 1.013326171115925
Energy: 0.962466562246087
Energy: 1.013326171115925
Energy: 0.9676966344400794
Energy: 1.0178985616448102
Energy: 0.9676966344400794
Energy: 1.017898561643786
Energy: 0.9676966344400794
Energy: 1.0178985616427614
Energy: 0.9625305992394991
Energy: 1.195589030567956
Energy: 0.9625305992405236
Energy: 1.195589030567956
Energy: 0.9625305992415015
Energy: 1.195589030567956
Energy: 1.1365466247239728
Energy: 1.0235405117935463
Energy: 1.1365466247260216
Energy: 1.0235405117935463
Energy: 1.1365466247239728
Energy: 1.023540511792522
Energy: 0.9591070068914367
Energy: 1.1524732088234981
Energy: 0.959107006892461
Energy: 1.1524732088245222
Energy: 0.9591070068934854
Energy: 1.1524732088234981
Energy: 1.1365161813394071
Energy: 1.0234086778464149
Energy: 1.1365161813373585
Energy: 1.0234086778464149
Energy: 1.1365161813383828
Energy: 1.0234086778464149
Energy: 0.9624665622450626
Energy: 1.1825609209202796
Energy: 0.9624665622450626
Energy: 1.1098235236284668
Energy: 0.962466562246087
Energy: 1.013326171115925
Energy: 0.9676966344400794
Energy: 1.0178985616448102
Energy: 0.9676966344400794
Energy: 1.0178985616448102
Energy: 0.9676966344400794
Energy: 1.0178985616427614
Energy: 0.9625305992384751
Energy: 1.1955890305669317
Energy: 0.9625305992394991
Energy: 1.1955890305669317
Energy: 0.9625305992405236
Energy: 1.195589030567956
Energy: 1.1365466247239728
Energy: 1.0235405117935463
Energy: 1.1365466247260216
Energy: 1.023540511792522
Energy: 1.1365466247239728
Energy: 1.0235405117935463
Energy: 0.9591070068914367
Energy: 1.1524732088245222
Energy: 0.9591070068914367
Energy: 1.1524732088245222
Energy: 0.9591070068914367
Energy: 1.1524732088245222
Energy: 1.1365161813394071
Energy: 1.0234086778464149
Energy: 1.1365161813383828
Energy: 1.0234086778464149
Energy: 1.1365161813383828
Energy: 1.0234086778474394

minimum gb energy = 0.9591070068914367 eV
minimum distance =  2.34473932361008 Angstroms
sigma value = 9


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

Energy: 1.106822804715698
Energy: 0.9962174619819443
Energy: 1.106822804715698
Energy: 0.996217461981108
Energy: 1.1068228047148618
Energy: 0.996217461981108
Energy: 1.0030519351283709
Energy: 1.0362637720592724
Energy: 1.0030519351292073
Energy: 1.036263772060109
Energy: 1.0030519351292073
Energy: 1.0362637720592724
Energy: 1.0572727585586994
Energy: 0.9822935672255262
Energy: 1.0572727585586994
Energy: 0.9822935672255262
Energy: 1.057272758557863
Energy: 0.9822935672263626
Energy: 0.9958261973429702
Energy: 1.0805153094553483
Energy: 0.9958261973438066
Energy: 1.0805153094553483
Energy: 0.9958261973429702
Energy: 1.0805153094553483
Energy: 1.0488099702818425
Energy: 0.9849484247920766
Energy: 1.0488099702826787
Energy: 0.9849484247912401
Energy: 1.0488099702826787
Energy: 0.9849484247904038
Energy: 1.0674427653739929
Energy: 0.9996534291100265
Energy: 1.067442765374829
Energy: 0.9996534291075175
Energy: 1.0674427653739929
Energy: 0.9996534291083539
Energy: 0.9926159445085643
Energy: 1.1163808019739536
Energy: 0.9926159445085643
Energy: 1.1163808019739536
Energy: 0.9926159445085643
Energy: 1.1163808019739536
Energy: 0.9897598543108528
Energy: 1.0724309309947426
Energy: 0.9897598543100163
Energy: 1.07243093099307
Energy: 0.9897598543100163
Energy: 1.0724309309939062
Energy: 1.0992744956009841
Energy: 0.988809052047388
Energy: 1.0992744956009841
Energy: 0.988809052047388
Energy: 1.0992744956001477
Energy: 0.9888090520465518
Energy: 0.9953594757634735
Energy: 1.0706146261894498
Energy: 0.9953594757643099
Energy: 1.0706146261894498
Energy: 0.9953594757643099
Energy: 1.0706146261902862
Energy: 1.0214112666493713
Energy: 1.0314429221370767
Energy: 1.0214112666493713
Energy: 1.0314429221362402
Energy: 1.0214112666502078
Energy: 1.031442922137913
Energy: 1.0520384977472175
Energy: 0.9998708085785453
Energy: 1.0520384977488904
Energy: 0.9998708085777088
Energy: 1.0520384977472175
Energy: 0.9998708085777088
Energy: 0.9906800048593057
Energy: 1.0655165278497643
Energy: 0.990680004860142
Energy: 1.0655165278497643
Energy: 0.9906800048609784
Energy: 1.0655165278497643
Energy: 1.0728274037216219
Energy: 1.0827503799662312
Energy: 1.0728274037216219
Energy: 1.0827503799670675
Energy: 1.0728274037216219
Energy: 1.0827503799662312
Energy: 1.156690110565947
Energy: 0.9977239946824357
Energy: 1.1566901104271474
Energy: 0.9977239946824357
Energy: 1.1566901100074796
Energy: 0.997723994683272
Energy: 1.0650939913884312
Energy: 1.1031155899390266
Energy: 1.0650939913892674
Energy: 1.1031155899390266
Energy: 1.0650939913884312
Energy: 1.1031155899381901
Energy: 1.0864174914626439
Energy: 1.0709928973067615
Energy: 1.0864174914626439
Energy: 1.0709928973067615
Energy: 1.0864174914626439
Energy: 1.0709928973067615
Energy: 1.254042134358495
Energy: 0.9998871122517988
Energy: 1.2540421343593315
Energy: 0.9998871122517988
Energy: 1.254042134358495
Energy: 0.9998871122517988
Energy: 0.9944419608127351
Energy: 1.0731483833010895
Energy: 0.9944419608127351
Energy: 1.0731483833010895
Energy: 0.9944419608127351
Energy: 1.073148383300253
Energy: 1.0325848403136093
Energy: 1.0031604046581861
Energy: 1.0325848403136093
Energy: 1.0031604046581861
Energy: 1.0325848403136093
Energy: 1.0031604046590226
Energy: 1.046635237578868
Energy: 1.0024567522810834
Energy: 1.046635237578868
Energy: 1.0024567522810834
Energy: 1.0466352375780315
Energy: 1.002456752280247

minimum gb energy = 0.9822935672255262 eV
minimum distance =  2.33112014455175 Angstroms
sigma value = 27


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

Energy: 1.0609267493852814
Energy: 1.1163642182263231
Energy: 1.0609267493859864
Energy: 1.1163642182263231
Energy: 1.0609267493852814
Energy: 1.1163642182263231
Energy: 1.0589789833997763
Energy: 1.0544322885464275
Energy: 1.0589789833997763
Energy: 1.0544322885471002
Energy: 1.0589789833997763
Energy: 1.0544322885478055
Energy: 1.1069386607178124
Energy: 1.0570804839668038
Energy: 1.1069386607185172
Energy: 1.057080483967509
Energy: 1.1069386607178124
Energy: 1.0570804839668038
Energy: 1.0790571679572216
Energy: 1.093809807381293
Energy: 1.0790571679572216
Energy: 1.093809807381998
Energy: 1.0790571679565166
Energy: 1.093809807381293
Energy: 1.0536122022290355
Energy: 1.0584609176029864
Energy: 1.0536122022290355
Energy: 1.0584609176036914
Energy: 1.0536122022283305
Energy: 1.0584609176022814
Energy: 1.1205351647504567
Energy: 1.0539407334498858
Energy: 1.1205351647511617
Energy: 1.0539407334498858
Energy: 1.1205351647511617
Energy: 1.0539407334498858
Energy: 1.0599051075984507
Energy: 1.0439904955309174
Energy: 1.0599051075984507
Energy: 1.0439904955316224
Energy: 1.0599051075984507
Energy: 1.0439904955302122
Energy: 1.0996522828332749
Energy: 1.0973591310080493
Energy: 1.0996522828332749
Energy: 1.0973591310108697
Energy: 1.0996522828353896
Energy: 1.0973591310094595
Energy: 1.0432680982996894
Energy: 1.055020522765569
Energy: 1.0432680983010991
Energy: 1.0550205227557308
Energy: 1.043268098306002
Energy: 1.055020522755026
Energy: 1.054310055660139
Energy: 1.0427569410573805
Energy: 1.054310055660139
Energy: 1.0427569410573805
Energy: 1.0543100556594343
Energy: 1.0427569410573805
Energy: 1.0542676892500995
Energy: 1.0430103094901326
Energy: 1.0542676892500995
Energy: 1.0430103094894276
Energy: 1.0542676892486895
Energy: 1.0430103094901326
Energy: 1.0431374737078576
Energy: 1.055173362179846
Energy: 1.0431374737078576
Energy: 1.055173362179141
Energy: 1.0431374737085626
Energy: 1.0551733621805508
Energy: 1.0997207154055058
Energy: 1.097459717373925
Energy: 1.099720715406916
Energy: 1.0974597173753349
Energy: 1.099720715404801
Energy: 1.0974597173703997
Energy: 1.0598131970831588
Energy: 1.0431911756526229
Energy: 1.0598131970831588
Energy: 1.0431911756526229
Energy: 1.0598131970824538
Energy: 1.0431911756526229
Energy: 1.120324687256754
Energy: 1.054277686092225
Energy: 1.120324687256754
Energy: 1.05427768609434
Energy: 1.1203246872574588
Energy: 1.0542776860936347
Energy: 1.0536423372978962
Energy: 1.0587182289938628
Energy: 1.0536423372978962
Energy: 1.058718228993158
Energy: 1.0536423372986012
Energy: 1.0587182289938628
Energy: 1.0791653145593991
Energy: 1.0939027722721897
Energy: 1.0791653145593991
Energy: 1.093902772271485
Energy: 1.0791653145586941
Energy: 1.0939027722721897
Energy: 1.1065686078874124
Energy: 1.0569374248791066
Energy: 1.1065686078867076
Energy: 1.0569374248791066
Energy: 1.1065686078867076
Energy: 1.0569374248791066
Energy: 1.0589425048799497
Energy: 1.0537086240890208
Energy: 1.0589425048799497
Energy: 1.0537086240883156
Energy: 1.0589425048799497
Energy: 1.0537086240883156
Energy: 1.0609267493866916
Energy: 1.1163642182263231
Energy: 1.0609267493852814
Energy: 1.1163642182263231
Energy: 1.0609267493852814
Energy: 1.1163642182263231
Energy: 1.0589789833997763
Energy: 1.0544322885478055
Energy: 1.0589789833997763
Energy: 1.0544322885485105
Energy: 1.0589789833997763
Energy: 1.0544322885471002
Energy: 1.1069386607171074
Energy: 1.0570804839668038
Energy: 1.1069386607178124
Energy: 1.0570804839668038
Energy: 1.1069386607178124
Energy: 1.0570804839668038
Energy: 1.0790571679579264
Energy: 1.093809807381293
Energy: 1.0790571679565166
Energy: 1.093809807381293
Energy: 1.0790571679579264
Energy: 1.093809807381998
Energy: 1.0536122022290355
Energy: 1.0584609176036914
Energy: 1.0536122022269208
Energy: 1.0584609176029864
Energy: 1.0536122022276257
Energy: 1.0584609176029864
Energy: 1.1205351647504567
Energy: 1.0539407334491806
Energy: 1.1205351647511617
Energy: 1.0539407334505908
Energy: 1.1205351647518669
Energy: 1.0539407334491806

minimum gb energy = 1.0427569410573805 eV
minimum distance =  2.34373522834363 Angstroms
sigma value = 19


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

Energy: 1.013178295811582
Energy: 1.023907490021491
Energy: 1.0131782958097564
Energy: 1.0239074900160419
Energy: 1.0131782958006281
Energy: 1.023907490021491
Energy: 1.0103064817180354
Energy: 1.0223832940194737
Energy: 1.0103064817180354
Energy: 1.0223832940188653
Energy: 1.0103064817180354
Energy: 1.0223832940194737
Energy: 1.0797285070081437
Energy: 1.0150695592234518
Energy: 1.0797285070081437
Energy: 1.0150695592234518
Energy: 1.0541568492958728
Energy: 1.0150695592240604
Energy: 1.0120777165339252
Energy: 0.9869901094489657
Energy: 1.0120777165357508
Energy: 0.9869901094489657
Energy: 1.0120777165351424
Energy: 0.9869901094495742
Energy: 1.0201323884722608
Energy: 1.0130818276441433
Energy: 1.0201323884728695
Energy: 1.0130818276453606
Energy: 1.0201323884722608
Energy: 1.0130818276453606
Energy: 0.9954031668778196
Energy: 1.0127433928597795
Energy: 0.9954031668778196
Energy: 1.0127433928603882
Energy: 0.9954031668778196
Energy: 1.0127433928603882
Energy: 1.018291963360189
Energy: 1.0224293967836888
Energy: 1.018291963360189
Energy: 1.0224293967824718
Energy: 1.018291963360189
Energy: 1.0224293967836888
Energy: 1.0270189338091589
Energy: 1.0362242103827874
Energy: 1.0270189338091589
Energy: 1.0362242103827874
Energy: 1.0270189338091589
Energy: 1.0362242103827874
Energy: 1.0786674821882436
Energy: 1.0175835550120198
Energy: 1.078667482186418
Energy: 1.0175835550126284
Energy: 1.0786674821845923
Energy: 1.0175835550120198
Energy: 1.015954453667282
Energy: 1.010798697820437
Energy: 1.0159544536654563
Energy: 1.010798697822263
Energy: 1.0159544536678904
Energy: 1.0107986978210457
Energy: 1.0123182154929204
Energy: 1.0513497245460657
Energy: 1.0123182154935289
Energy: 1.051349724545457
Energy: 1.0123182154917032
Energy: 1.0513497245460657
Energy: 1.0187988262278698
Energy: 1.0220203590555348
Energy: 1.0187988262223928
Energy: 1.022020359054926
Energy: 1.0187988262278698
Energy: 1.0220203590543173
Energy: 0.9835126815445352
Energy: 1.029560469394111
Energy: 0.9835126815451438
Energy: 1.0295604693935023
Energy: 0.9835126815445352
Energy: 1.0295604693935023
Energy: 1.0088273747895522
Energy: 0.968359600441052
Energy: 1.0088273747895522
Energy: 0.9683596004422691
Energy: 1.0088273747895522
Energy: 0.9683596004416606
Energy: 1.037391531251845
Energy: 1.0058687633859704
Energy: 1.037391531251845
Energy: 1.0058687633853616
Energy: 1.0373915312524535
Energy: 1.0058687633853616
Energy: 1.064646120817711
Energy: 1.0167447188423426
Energy: 1.064646120817711
Energy: 1.0167447188423426
Energy: 1.0646461208171303
Energy: 1.0167447188423426
Energy: 1.0305915815942888
Energy: 1.0448662869965186
Energy: 1.0305915815942888
Energy: 1.0448662869959102
Energy: 1.0305915815942888
Energy: 1.0448662869959102
Energy: 1.0416398516310788
Energy: 1.023557506516561
Energy: 1.0416398516310788
Energy: 1.023557506516561
Energy: 1.0416398516310788
Energy: 1.023557506516561
Energy: 0.9860170003104093
Energy: 1.013611007432228
Energy: 0.9860170003116263
Energy: 1.013611007432228
Energy: 1.0683808107498673
Energy: 1.013611007432228
Energy: 1.0147154859225571
Energy: 1.0091280446591975
Energy: 1.0147154859219485
Energy: 1.0091280446604147
Energy: 1.0147154859213399
Energy: 1.0091280446604147
Energy: 1.022097989166302
Energy: 1.035554822481679
Energy: 1.0220979891669104
Energy: 1.035554822481679
Energy: 1.0220979891675193
Energy: 1.035554822481679
Energy: 1.0667711368849306
Energy: 1.0103856281142354
Energy: 1.0667617199205297
Energy: 1.0103856281142354
Energy: 1.0667244836652057
Energy: 1.0103856281148436
Energy: 1.0214557801677726
Energy: 0.999721233457193
Energy: 1.0214557801671642
Energy: 0.999721233457193
Energy: 1.0214557801677726
Energy: 0.9997212334578014
Energy: 1.0225086003653296
Energy: 1.0132894615038799
Energy: 1.022508600364721
Energy: 1.0132894615032713
Energy: 1.022508600365938
Energy: 1.013289461502663
Energy: 1.0049981244271404
Energy: 1.0109320609788832
Energy: 1.0049981244271404
Energy: 1.0109320609776662
Energy: 1.0049981244259234
Energy: 1.0109320609782748
Energy: 1.005470513844581
Energy: 1.0220427986671206
Energy: 1.0054705138439726
Energy: 1.0220427986677294
Energy: 1.0054705138439726
Energy: 1.0220427986683378
Energy: 1.0204447240867929
Energy: 1.0051472213140022
Energy: 1.0204447240867929
Energy: 1.0051472213146104
Energy: 1.0204447240874015
Energy: 1.005147221312785
Energy: 0.9784569859587977
Energy: 1.0120579535127943
Energy: 0.9784569859600147
Energy: 1.0120579535127943
Energy: 0.9784569859594062
Energy: 1.0120579535121854
Energy: 1.033720423308651
Energy: 1.0138271403010322
Energy: 1.0337204233092596
Energy: 1.0138271403010322
Energy: 1.0337204233092596
Energy: 1.0138271403010322

minimum gb energy = 0.968359600441052 eV
minimum distance =  2.3101637973503 Angstroms
sigma value = 101


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

Energy: 1.019235197153317
Energy: 0.9395164547781724
Energy: 1.0192351971549218
Energy: 0.9395164547787072
Energy: 1.0192351971570615
Energy: 0.9395164547792422
Energy: 0.9921784836611199
Energy: 0.9943379618304683
Energy: 0.9921784836595151
Energy: 1.0005062535303877
Energy: 0.9921784836600499
Energy: 0.9943379618293985
Energy: 0.9667211206619519
Energy: 1.000738002782284
Energy: 0.9667211206608821
Energy: 1.0007380027817492
Energy: 0.9667211206619519
Energy: 1.0007380027806794
Energy: 0.9902605434527603
Energy: 1.0674593574943054
Energy: 0.9902605434527603
Energy: 1.1489261817064749
Energy: 0.9902605434527603
Energy: 0.9933010139161863
Energy: 0.9940235750542601
Energy: 0.9692029147213553
Energy: 0.9940235750542601
Energy: 0.9692029147213553
Energy: 0.9940235750542601
Energy: 0.9692029147208203
Energy: 0.9269849996500185
Energy: 0.9976982444090268
Energy: 0.9269849996494833
Energy: 0.9976982444084916
Energy: 0.9269849996500185
Energy: 0.9976982444084916
Energy: 0.9946176262237598
Energy: 1.0005878561374424
Energy: 0.9946176262242945
Energy: 1.0005878561363726
Energy: 0.9946176262242945
Energy: 1.0005878561358377
Energy: 0.995822088682835
Energy: 1.083656941004014
Energy: 0.995822088682835
Energy: 1.0049075349536123
Energy: 0.9958220886833696
Energy: 1.0049075349536123
Energy: 0.9284110783911975
Energy: 0.9958391702259598
Energy: 0.9284110783922673
Energy: 0.9958391702259598
Energy: 0.9284110783933374
Energy: 0.9958391702254247
Energy: 0.9934188301031927
Energy: 1.0089794356337358
Energy: 0.9934188301021226
Energy: 1.0089794356342707
Energy: 0.9934188301026576
Energy: 1.0089794356348056
Energy: 0.9944976690706044
Energy: 1.1698318783355706
Energy: 0.9944976690711396
Energy: 1.1698318783355706
Energy: 0.9944976690706044
Energy: 1.1698318783382453
Energy: 0.9863851891600368
Energy: 1.0005567256265342
Energy: 0.9863851891600368
Energy: 1.000128833469525
Energy: 0.9863851891595019
Energy: 0.9962739528221586
Energy: 0.917686018460738
Energy: 0.9984050062394808
Energy: 0.917686018461273
Energy: 0.9984050062394808
Energy: 0.917686018461808
Energy: 0.9984050062394808
Energy: 0.9925671771112725
Energy: 1.0268857833177185
Energy: 0.9925671771128775
Energy: 1.081395966842268
Energy: 0.9925671771118076
Energy: 1.0107054644826379
Energy: 0.9903598490240937
Energy: 0.9656668259555004
Energy: 0.990359849023559
Energy: 0.9656668259555004
Energy: 0.9903598490246288
Energy: 0.9656668259559866
Energy: 0.9863574192743656
Energy: 0.9981928518727692
Energy: 0.9863574192727607
Energy: 0.9981928518716991
Energy: 0.9863574192732956
Energy: 0.9981928518700942
Energy: 0.9906820063458268
Energy: 1.0091530995312856
Energy: 0.9906820063458268
Energy: 1.0091530995328906
Energy: 0.9906820063458268
Energy: 1.0091530995323552
Energy: 0.9955736573226153
Energy: 0.9153176701588053
Energy: 0.9955736573220801
Energy: 0.9153176701577354
Energy: 0.9955736573236851
Energy: 0.9153176701582703
Energy: 0.92608015494281
Energy: 0.9960868738684898
Energy: 0.92608015494281
Energy: 0.9960868738684898
Energy: 0.926080154943345
Energy: 0.9960868738684898
Energy: 1.0006154787560244
Energy: 0.9494437995537173
Energy: 1.0006154787560244
Energy: 0.9494437995499727
Energy: 1.0006154787560244
Energy: 0.949443799547298
Energy: 1.004778193503385
Energy: 1.101636829899023
Energy: 1.00477819350285
Energy: 1.1016368298995578
Energy: 1.004778193503385
Energy: 1.1016368298984878
Energy: 0.9643906702377293
Energy: 0.9938372588250329
Energy: 0.9643906702377293
Energy: 0.9938372588234281
Energy: 0.9643906702366595
Energy: 0.9938372588250329
Energy: 0.9920550788485621
Energy: 0.9979638464681746
Energy: 0.9920550788485621
Energy: 0.9979638464687093
Energy: 0.9920550788485621
Energy: 0.9979638464687093
Energy: 0.9906829369788626
Energy: 1.1485512490592162
Energy: 0.9906829369788626
Energy: 1.1485512490581462
Energy: 0.9906829369783278
Energy: 1.148551249058681
Energy: 1.0038185410023333
Energy: 1.0058519483933834
Energy: 1.0038185410012634
Energy: 1.0058519483939183
Energy: 1.0038185410007283
Energy: 1.0058519483939183
Energy: 0.9183538456067533
Energy: 1.0105820497927722
Energy: 0.9183538456078231
Energy: 1.010582049793307
Energy: 0.918353845608358
Energy: 1.010582049793307
Energy: 0.9955862479685088
Energy: 1.0045257428920824
Energy: 0.9955862479685088
Energy: 1.0045257428910128
Energy: 0.9955862479690438
Energy: 1.0045257428915475
Energy: 0.9965428834873575
Energy: 0.9681106608201323
Energy: 0.9965428834878924
Energy: 0.9681106608217371
Energy: 0.9965428834873575
Energy: 0.9681106608238768
Energy: 1.131334480804027
Energy: 0.99605224243981
Energy: 1.131334480804562
Energy: 0.9960522424392751
Energy: 1.131334480804562
Energy: 0.99605224243981
Energy: 0.9949302293237674
Energy: 0.9672138422452329
Energy: 0.9949302293232324
Energy: 0.9672138422452329
Energy: 0.9949302293232324
Energy: 0.9672138422463027
Energy: 0.9910718738858414
Energy: 0.9493722143458339
Energy: 0.9910718738863764
Energy: 0.949372214344764
Energy: 0.9910718738858414
Energy: 0.949372214345299
Energy: 0.9885152523327133
Energy: 0.9945245494555901
Energy: 0.9885152523327133
Energy: 0.9945245494555901
Energy: 0.9885152523321782
Energy: 0.9945245494550551
Energy: 0.9915642750742307
Energy: 0.996101700987291
Energy: 0.9915642750736959
Energy: 0.9961017009867562
Energy: 0.9915642750736959
Energy: 0.996101700987291

minimum gb energy = 0.9153176701577354 eV
minimum distance =  2.32630471545736 Angstroms
sigma value = 33


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

Energy: 0.018592459702098992
Energy: 0.7432705377571744
Energy: 0.018592459702098992
Energy: 0.7432705377571744
Energy: 0.018592459702098992
Energy: 0.74327053775673
Energy: 0.019035699699670873
Energy: -0.5190485505176493
Energy: 0.019035699699670873
Energy: -0.519048550518094
Energy: 0.019035699699670873
Energy: -0.5190485505184891
Energy: 0.7432619521653107
Energy: -0.5189319702131683
Energy: 0.7431899780213332
Energy: -0.5189319702122793
Energy: 0.7432619024098039
Energy: -0.5189319702127237
Energy: 0.019035699699670873
Energy: -0.5190485505176493
Energy: 0.019035699700115337
Energy: -0.519048550518094
Energy: 0.019035699699670873
Energy: -0.5190485505167606

minimum gb energy = -0.5190485505184891 eV
minimum distance =  2.46812762523226 Angstroms
sigma value = 1