Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664999604225163
cohesive_energy=4.316339488656242
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01326621809183648
Energy: 0.013613823584861635
Energy: 2.7985267107178586
Energy: 0.013613823584861635
Energy: 0.013613823584861635
Energy: 0.013699931635670128
Energy: 0.5349373372025229
Energy: 0.013699931635670128
Energy: 2.7985267107178586
Energy: 0.5349373372025229
Energy: 0.534217038365442
Energy: 0.5349373372025229
Energy: 0.013613823584861635
Energy: 0.013699931635670128
Energy: 0.5349373372025229
Energy: 0.013699931635670128

minimum gb energy = 0.01326621809183648 eV
minimum distance =  2.47963578872692 Angstroms
sigma value = 1


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

Energy: 1.5686856375088578
Energy: 1.8676260032057466
Energy: 1.0223762355545785
Energy: 1.8676260032069565
Energy: 1.649026211133154
Energy: 0.9852686736274197
Energy: 1.0350943770207093
Energy: 0.9852686736286295
Energy: 1.9076657706639544
Energy: 1.0329352581341396
Energy: 1.0119411679224088
Energy: 1.0329352581317197
Energy: 1.4904035048474842
Energy: 0.98473350196222
Energy: 1.119123731018714
Energy: 0.98473350196222
Energy: 1.492613276048342
Energy: 0.984962422284527
Energy: 1.5123496706233348
Energy: 0.9849624222881563
Energy: 1.6723055137293126
Energy: 0.9921383691985214
Energy: 0.9919640318418106
Energy: 0.9921383691985214
Energy: 1.2499646072756059
Energy: 0.9929450721906111
Energy: 0.9917816790499389
Energy: 0.9929450721894013
Energy: 0.9857272314713288
Energy: 0.9914893986207391
Energy: 1.5124034227671914
Energy: 0.9914893986219488
Energy: 1.249911119682253
Energy: 1.0619728422514951
Energy: 1.4654629316494954
Energy: 1.0619728422527053
Energy: 1.7337300615209057
Energy: 0.9918203312492962
Energy: 1.273151763887902
Energy: 0.9918203312492962
Energy: 1.008113417989288
Energy: 1.0538778754825298
Energy: 1.4672334144267412
Energy: 1.0538778754849494
Energy: 1.0082300172017655
Energy: 1.0080144285042119
Energy: 2.1448598380391415
Energy: 1.0080144285054216
Energy: 1.2671348855810147
Energy: 1.0540490408022591
Energy: 1.454651542945553
Energy: 1.0540490408022591
Energy: 1.0323198487804164
Energy: 1.0545293953377974
Energy: 1.5791007818064073
Energy: 1.0545293953365877
Energy: 1.032167057680613
Energy: 0.9918244282830351
Energy: 1.6562404241978141
Energy: 0.9918244282830351
Energy: 1.0323310064502886
Energy: 0.9919508243757054
Energy: 1.6606596206535664
Energy: 0.9919508243781251
Energy: 1.032404076993199
Energy: 1.0539229413272735
Energy: 1.5780596208730386
Energy: 1.0539229413272735
Energy: 1.2669479724094506
Energy: 1.053836426798492
Energy: 1.453683544646507
Energy: 1.053836426798492
Energy: 1.0003590334899686
Energy: 1.0079450255542837
Energy: 2.162215756054754
Energy: 1.0079450255542837
Energy: 1.0077841970288934
Energy: 1.0541862653973355
Energy: 1.241221162991351
Energy: 1.0541862653973355
Energy: 1.7337821753202185
Energy: 0.9921796917165225
Energy: 1.274283135491347
Energy: 0.9921796917153127
Energy: 1.2499156300154304
Energy: 0.984710549906891
Energy: 1.465557037676007
Energy: 0.984710549906891
Energy: 1.2928606581766855
Energy: 0.9916069544219234
Energy: 1.2555817888503806
Energy: 0.991606954424343
Energy: 1.484720179190634
Energy: 0.9943721890313078
Energy: 0.991964105257374
Energy: 0.9943721890313078
Energy: 1.6722015086665387
Energy: 0.9923647239170359
Energy: 0.9919270523457595
Energy: 0.9923647239146163
Energy: 1.5903378702534705
Energy: 0.984553596845633
Energy: 1.5122975408001098
Energy: 0.9845535968444231
Energy: 1.4567868077201007
Energy: 0.9845918470182491
Energy: 1.0206275532164273
Energy: 0.9845918470170392
Energy: 1.91098546630437
Energy: 1.0328235137496478
Energy: 1.0126536184389923
Energy: 1.032823513750858
Energy: 1.6499645614931533
Energy: 0.9851850513485086
Energy: 1.0344405071647964
Energy: 0.9851850513472987
Energy: 1.5695525668863275
Energy: 0.9860888464071166
Energy: 1.0329824553665088
Energy: 0.9860888464083265
Energy: 1.6502379558480544
Energy: 0.9850984094758951
Energy: 1.0634865179160986
Energy: 0.9850984094758951
Energy: 1.6722406808090473
Energy: 1.0076206181703316
Energy: 1.0125497558878638
Energy: 1.0076206181691219
Energy: 1.4923292160316113
Energy: 0.9847485658247617
Energy: 1.1194748945005901
Energy: 0.9847485658259716

minimum gb energy = 0.9845535968444231 eV
minimum distance =  2.38320180923162 Angstroms
sigma value = 1


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

Energy: 1.7280238232945815
Energy: 1.7232940239019516
Energy: 1.093946522384658
Energy: 1.723294023903331
Energy: 1.5413988419402818
Energy: 1.0224935476733614
Energy: 1.1366804127139694
Energy: 1.022493547671982
Energy: 1.5814507645354752
Energy: 1.0735013575694885
Energy: 1.0738177057659881
Energy: 1.0735013575694885
Energy: 1.0202378296089565
Energy: 1.0524732018295992
Energy: 1.2998373634985538
Energy: 1.0524732018295992
Energy: 1.0202372121714527
Energy: 1.0531954666420238
Energy: 1.6849771200643673
Energy: 1.0531954666420238
Energy: 1.5813226538611607
Energy: 1.0515426311333607
Energy: 1.0515497666530522
Energy: 1.0515426311333607
Energy: 1.1469411840756139
Energy: 1.1004521635567193
Energy: 1.051458592539264
Energy: 1.1004521635567193
Energy: 1.0515274294808679
Energy: 1.0513524717120477
Energy: 1.6855578768495139
Energy: 1.051352471713427
Energy: 1.1470870717567214
Energy: 1.0204232340912653
Energy: 1.5829782886918098
Energy: 1.0204232340912653
Energy: 1.136775603670122
Energy: 1.0203338414955645
Energy: 1.02014048584521
Energy: 1.0203338414955645
Energy: 1.148184768849658
Energy: 1.0527765519833916
Energy: 1.5838354477667322
Energy: 1.0527765519833916
Energy: 1.0524091600981562
Energy: 1.0512419266842874
Energy: 2.0635947052000123
Energy: 1.0512419266829078
Energy: 1.137309181898534
Energy: 1.0203186177606651
Energy: 1.5402052443199696
Energy: 1.0203186177620445
Energy: 1.137309181898534
Energy: 1.0202858933179921
Energy: 1.5401139419321541
Energy: 1.0202858933179921
Energy: 1.052384954352243
Energy: 1.0512121509494181
Energy: 2.0636372943297223
Energy: 1.0512121509507975
Energy: 1.1474968710522664
Energy: 1.0525589830217967
Energy: 1.5838494416894664
Energy: 1.0525589830217967
Energy: 1.136775603670122
Energy: 1.020317734140233
Energy: 1.0203014952307292
Energy: 1.020317734140233
Energy: 1.1472444912958184
Energy: 1.0204133634121197
Energy: 1.583005053943054
Energy: 1.0204133634134989
Energy: 1.0515258964078291
Energy: 1.0513591342867814
Energy: 1.6855578768495139
Energy: 1.0513591342867814
Energy: 1.146928504784297
Energy: 1.1005126369078446
Energy: 1.051632845836978
Energy: 1.100512636909224
Energy: 1.5813536207005705
Energy: 1.051437588045295
Energy: 1.051535887329662
Energy: 1.051437588045295
Energy: 1.0201971974033244
Energy: 1.0532502322952086
Energy: 1.6849771200643673
Energy: 1.0532502322952086
Energy: 1.0202064414237508
Energy: 1.0526845082560978
Energy: 1.2998373634999334
Energy: 1.0526845082560978
Energy: 1.5814562995546873
Energy: 1.0734985969386055
Energy: 1.073813468413835
Energy: 1.0734985969386055
Energy: 1.541399176791595
Energy: 1.022609220104303
Energy: 1.1366804127139694
Energy: 1.022609220104303
Energy: 1.7280238232945815
Energy: 1.723294023903331
Energy: 1.0939465221709475
Energy: 1.7232940239019516
Energy: 1.5413988419402818
Energy: 1.022493547671982
Energy: 1.13668041271259
Energy: 1.0224935476733614
Energy: 1.5814507645354752
Energy: 1.0735013575694885
Energy: 1.0738177057659881
Energy: 1.0735013575694885
Energy: 1.0202378296089565
Energy: 1.0524732018295992
Energy: 1.2998373634985538
Energy: 1.0524732018309786

minimum gb energy = 1.02014048584521 eV
minimum distance =  2.37532553792788 Angstroms
sigma value = 25


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

Energy: 1.4879856155324278
Energy: 1.9034821566306197
Energy: 1.1690142478869212
Energy: 1.9034821566306197
Energy: 1.6724659090535676
Energy: 1.109976287771924
Energy: 1.3039516797164787
Energy: 1.1099762877735275
Energy: 1.7240500337340092
Energy: 1.1478326020150569
Energy: 1.1480604647882144
Energy: 1.1478326020166605
Energy: 1.4481802983391667
Energy: 1.1068792287349951
Energy: 1.1999968831152645
Energy: 1.1068792287365987
Energy: 1.4471867683908048
Energy: 1.106968463130326
Energy: 1.4565190752118324
Energy: 1.1069684631287224
Energy: 1.7171004278189277
Energy: 1.1100114855743177
Energy: 1.1098708210668518
Energy: 1.1100114855743177
Energy: 1.1429748601020668
Energy: 1.1068022897440395
Energy: 1.109961677799605
Energy: 1.1068022897472465
Energy: 1.1164497676687108
Energy: 1.1428387060213985
Energy: 1.7637948190555486
Energy: 1.1428387060213985
Energy: 1.1434079410896114
Energy: 1.2017067367418197
Energy: 1.4315399128215105
Energy: 1.2017067367418197
Energy: 1.1933709033762037
Energy: 1.5101510256740456
Energy: 1.4998198733793302
Energy: 1.5101510256740456
Energy: 1.2040779788044815
Energy: 1.2027896318379205
Energy: 1.693978710661069
Energy: 1.202789631839524
Energy: 1.176529167206424
Energy: 1.1433828391206688
Energy: 1.691383326366596
Energy: 1.1433828391206688
Energy: 1.2242261278870212
Energy: 1.0952620449962929
Energy: 1.4980819950381208
Energy: 1.0952620449962929
Energy: 1.248529362458416
Energy: 1.2019431248773251
Energy: 1.4315297965797464
Energy: 1.2019431248789287
Energy: 1.1247748496488528
Energy: 1.142963090444794
Energy: 2.02206889283471
Energy: 1.142963090444794
Energy: 1.14295665068383
Energy: 1.1069362945862082
Energy: 1.109958891553106
Energy: 1.1069362945846049
Energy: 2.0764562058674914
Energy: 1.1099702215331264
Energy: 1.1098539035917265
Energy: 1.1099702215363332
Energy: 1.4470338190188534
Energy: 1.1069972461207847
Energy: 1.456961776042712
Energy: 1.1069972461207847
Energy: 1.5305484840779124
Energy: 1.1071523236754364
Energy: 1.1973826334014785
Energy: 1.1071523236770395
Energy: 1.4205605164441886
Energy: 1.1102501694193119
Energy: 1.1490479105770068
Energy: 1.110250169417708
Energy: 1.673428260837682
Energy: 1.1098360617588732
Energy: 1.1392839947741833
Energy: 1.1098360617588732
Energy: 1.4901606381079788
Energy: 1.095579749266308
Energy: 1.1972922769603467
Energy: 1.0955797492679114
Energy: 1.6722038977780103
Energy: 1.1885917824782626
Energy: 1.1971912997880805
Energy: 1.1885917824798662
Energy: 1.7312483015305093
Energy: 1.1480762622274183
Energy: 1.1730583653227078
Energy: 1.1480762622274183
Energy: 1.447512625957929
Energy: 1.1068748455408466
Energy: 1.1395357560262982
Energy: 1.106874845539243

minimum gb energy = 1.0952620449962929 eV
minimum distance =  2.38486460148012 Angstroms
sigma value = 9


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

Energy: 1.1238499314639514
Energy: 1.1231456202351993
Energy: 1.291085388554674
Energy: 1.1231456202351993
Energy: 1.1234124352137862
Energy: 1.190798481544994
Energy: 1.190765500254668
Energy: 1.1907984815447983
Energy: 1.2432578392389633
Energy: 1.2433470642866358
Energy: 1.311458011644072
Energy: 1.2433470642866358
Energy: 1.1906562482276775
Energy: 1.1907671144835812
Energy: 1.190584350317227
Energy: 1.1907671144841465
Energy: 1.1910082000196849
Energy: 1.191201368737357
Energy: 1.2440243841493732
Energy: 1.1912013687369876
Energy: 2.0790408291677145
Energy: 1.1905985081906336
Energy: 1.190658857878074
Energy: 1.1905985081906336
Energy: 1.1907890016034026
Energy: 1.1912185616839701
Energy: 1.1908455599998156
Energy: 1.1912185616845572
Energy: 1.3126515393074107
Energy: 1.311531504896946
Energy: 1.8508305900929385
Energy: 1.3115315048967502
Energy: 1.402499527448714
Energy: 1.1909141303023947
Energy: 1.12323292594051
Energy: 1.1909141303025905
Energy: 1.4027477175176455
Energy: 1.1232913439715184
Energy: 1.123136218529725
Energy: 1.1232913439715184
Energy: 1.1917698900761184
Energy: 1.3050863832543635
Energy: 1.8509764109354083
Energy: 1.3050863832543635
Energy: 1.3138140586216318
Energy: 1.1235352102999892
Energy: 1.3115145064909304
Energy: 1.1235352102999892
Energy: 1.4026480997039272
Energy: 1.1906519308616772
Energy: 1.1913207378025241
Energy: 1.190651930861851
Energy: 1.3117024771447288
Energy: 1.2334777442261058
Energy: 1.3116784046785794
Energy: 1.2334777442263016
Energy: 1.1913254349863815
Energy: 1.1906963828514812
Energy: 1.402648099704688
Energy: 1.1906963828516768
Energy: 1.3115078310187198
Energy: 1.1235941656436206
Energy: 1.3137887262319135
Energy: 1.1235941656436206
Energy: 1.851086425234428
Energy: 1.305093186857215
Energy: 1.1918249198584032
Energy: 1.305093186857215
Energy: 1.123231915126358
Energy: 1.1232811286346949
Energy: 1.4027477175178409
Energy: 1.1232811286344992
Energy: 1.1232192902817473
Energy: 1.1908322818770682
Energy: 1.402499527448714
Energy: 1.1908322818768944
Energy: 1.8508212229166863
Energy: 1.311519239198459
Energy: 1.3126517708609293
Energy: 1.3115192391988502
Energy: 1.1908262802876033
Energy: 1.1910749780236245
Energy: 1.1907868727511468
Energy: 1.1910749780236245

minimum gb energy = 1.123136218529725 eV
minimum distance =  2.36427450876631 Angstroms
sigma value = 25


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

Energy: 1.252862913828912
Energy: 1.904992100388021
Energy: 1.3716479539446726
Energy: 1.904992100388021
Energy: 1.7480596335551712
Energy: 1.360302238903611
Energy: 1.3464504573220775
Energy: 1.360302238903611
Energy: 1.47177068674722
Energy: 1.3370029526068063
Energy: 1.3469143868986995
Energy: 1.3370029526070484
Energy: 1.2871079000197994
Energy: 1.3231051605654822
Energy: 1.3191038841524563
Energy: 1.3231051605650253
Energy: 1.3234656079179399
Energy: 1.360855789825757
Energy: 1.7825478593619664
Energy: 1.3608557898271818
Energy: 1.7812195840560345
Energy: 1.2635122630091085
Energy: 1.2635646989048943
Energy: 1.2635122630091085
Energy: 1.436395365014772
Energy: 1.323457914981331
Energy: 1.2639254554956707
Energy: 1.3234579149810892
Energy: 1.4727611889664818
Energy: 1.4208596882687645
Energy: 1.806520628048278
Energy: 1.420859688268523
Energy: 1.4208022647546117
Energy: 1.263705822761705
Energy: 1.2634916742757658
Energy: 1.2637058227605222
Energy: 1.387611281843359
Energy: 1.2638205083394658
Energy: 1.2636643759250297
Energy: 1.2638205083394658
Energy: 1.323061729815745
Energy: 1.323145590981601
Energy: 1.6900129579171783
Energy: 1.3231455909813588
Energy: 1.3231066128475604
Energy: 1.263595672809677
Energy: 1.3362299645435478
Energy: 1.263595672809677
Energy: 1.6196349767802247
Energy: 1.3364083114061884
Energy: 1.3372261159817536
Energy: 1.3364083114068877
Energy: 1.7463157595641718
Energy: 1.3606889454500513
Energy: 1.4326060268782215
Energy: 1.3606889454488684
Energy: 1.508433708060049
Energy: 1.3598802596522372
Energy: 1.4325037935361566
Energy: 1.359880259652721
Energy: 1.7467232618749786
Energy: 1.290510475683775
Energy: 1.3364687251518026
Energy: 1.290510475683775
Energy: 1.3235325188016038
Energy: 1.2637644249019448
Energy: 1.337695253294725
Energy: 1.2637644249019448

minimum gb energy = 1.252862913828912 eV
minimum distance =  2.35165680728765 Angstroms
sigma value = 17


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

Energy: 1.6552499316263933
Energy: 1.6617228282953689
Energy: 1.390381027691682
Energy: 1.6617228282967087
Energy: 1.5649148361605398
Energy: 1.3747398979625842
Energy: 1.40591523897674
Energy: 1.374739897963924
Energy: 1.37416818079318
Energy: 1.3508172229564164
Energy: 1.3527548104614648
Energy: 1.3508172229537367
Energy: 1.3196407762043796
Energy: 1.318234967482309
Energy: 1.4057864212320295
Energy: 1.318234967482309
Energy: 1.3739744354029326
Energy: 1.3740124496638348
Energy: 1.6229243497055088
Energy: 1.3740124496638348
Energy: 1.7461468882966888
Energy: 1.300390399287158
Energy: 1.3037171924712154
Energy: 1.300390399285818
Energy: 1.5348905757842783
Energy: 1.3184254347496942
Energy: 1.6229978246723566
Energy: 1.3184254347483546
Energy: 1.391763557934917
Energy: 1.3217379609621955
Energy: 1.698424344245395
Energy: 1.3217379609621955
Energy: 1.3504271168484987
Energy: 1.3361132024832747
Energy: 1.3021159969527052
Energy: 1.3361132024819349
Energy: 1.6836813662851922
Energy: 1.3917710245148311
Energy: 1.3407032525254805
Energy: 1.3917710245134913
Energy: 1.3125761166555177
Energy: 1.3123929592134964
Energy: 1.5721003558244027
Energy: 1.3123929592134964
Energy: 1.3123725299623348
Energy: 1.336495128224097
Energy: 1.456695409183348
Energy: 1.336495128224097
Energy: 1.6835258773220927
Energy: 1.3999324949420713
Energy: 1.4462659577089492
Energy: 1.3999324949407315
Energy: 1.3124001088151416
Energy: 1.3124394533324215
Energy: 1.4019266450925765
Energy: 1.3124394533324215
Energy: 1.312365742637441
Energy: 1.4158270310334349
Energy: 1.750849121191773
Energy: 1.4158270310320953
Energy: 1.6567009572322398
Energy: 1.336129346603528
Energy: 1.3014187358617142
Energy: 1.336129346603528
Energy: 1.390722146264174
Energy: 1.4152523451065229
Energy: 1.3360644688455128
Energy: 1.4152523451065229
Energy: 1.3519244558038352
Energy: 1.4086037056567569
Energy: 1.6011098482271695
Energy: 1.4086037056567569
Energy: 1.4542423450025062
Energy: 1.300137889613335
Energy: 1.4589004095205844
Energy: 1.3001378896146751
Energy: 1.581476961733809
Energy: 1.390668594966563
Energy: 1.606849224263929
Energy: 1.390668594966563
Energy: 1.321525770989683
Energy: 1.3731088443057322
Energy: 1.648760708693424
Energy: 1.3731088443057322
Energy: 1.3216440100522746
Energy: 1.3379316515209518
Energy: 1.355868187398422
Energy: 1.3379316515209518
Energy: 1.6224502023667082
Energy: 1.3557563985404684
Energy: 1.3558846574486914
Energy: 1.3557563985404684
Energy: 1.593143319364677
Energy: 1.2993402207466906
Energy: 1.4242294286148527
Energy: 1.2993402207466906
Energy: 1.5936060778604917
Energy: 1.3007403817124448
Energy: 1.4241231406424706
Energy: 1.300740381711105
Energy: 1.6181515995307245
Energy: 1.3559796051048227
Energy: 1.3556394899977333
Energy: 1.3559796051048227
Energy: 1.321593871770943
Energy: 1.3366362940955696
Energy: 1.3383671288367496
Energy: 1.3366362940955696
Energy: 1.3221069248426396
Energy: 1.3214876588329263
Energy: 1.6524594342716856
Energy: 1.3214876588315863
Energy: 1.3737115765294812
Energy: 1.3906665792812007
Energy: 1.6096648946703886
Energy: 1.390666579279861
Energy: 1.4091900022137125
Energy: 1.3001042624456307
Energy: 1.301958065850858
Energy: 1.3001042624469705

minimum gb energy = 1.2993402207466906 eV
minimum distance =  2.36731156274965 Angstroms
sigma value = 53


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

Energy: 1.286607438321229
Energy: 1.286286863913897
Energy: 2.061015770308274
Energy: 1.286286863913897
Energy: 1.4581074724519707
Energy: 1.386308150462544
Energy: 1.2864236387189434
Energy: 1.3863081504628596
Energy: 1.8686283893097444
Energy: 1.3771494044344679
Energy: 1.5811668343459377
Energy: 1.3771494044335564
Energy: 1.581147864746114
Energy: 1.3771306000664287
Energy: 1.8691941633805251
Energy: 1.3771306000664287
Energy: 1.286427433626392
Energy: 1.3861247134757937
Energy: 1.458149181919851
Energy: 1.3861247134761092
Energy: 2.8495139413362613
Energy: 1.286286863913897
Energy: 1.2866074383209134
Energy: 1.286286863913897
Energy: 1.2864236387195391
Energy: 1.386308150462544
Energy: 1.4581074724526015
Energy: 1.386308150463175
Energy: 1.5811668343459377
Energy: 1.3771494044332413
Energy: 1.8686283893106554
Energy: 1.3771494044332413
Energy: 1.8691941633802094
Energy: 1.3771306000664287
Energy: 1.5811478647457986
Energy: 1.3771306000664287
Energy: 1.458149181919851
Energy: 1.3861247134763894
Energy: 1.2864274336267074
Energy: 1.3861247134761092
Energy: 1.2866074383209134
Energy: 1.286286863913897
Energy: 2.0610157706797683
Energy: 1.286286863913897
Energy: 1.4581074724519707
Energy: 1.386308150463175
Energy: 1.286423638719259
Energy: 1.386308150463175
Energy: 1.86862838931034
Energy: 1.377149404433872
Energy: 1.5811668343456224
Energy: 1.3771494044341874

minimum gb energy = 1.286286863913897 eV
minimum distance =  2.36277865523765 Angstroms
sigma value = 9


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

Energy: 1.519666009933916
Energy: 1.7361941912571661
Energy: 1.7325809582003349
Energy: 1.7361941912583077
Energy: 1.791472631221966
Energy: 1.4303940601765033
Energy: 1.540769345163305
Energy: 1.4303940601765033
Energy: 1.475847081417388
Energy: 1.3961715245135913
Energy: 1.396500385994833
Energy: 1.3961715245124497
Energy: 1.4385777333343843
Energy: 1.4229366669561982
Energy: 1.5222425288678785
Energy: 1.4229366669561982
Energy: 1.530433615916188
Energy: 1.379722980741714
Energy: 1.790394225910708
Energy: 1.379722980739431
Energy: 1.7183369459607207
Energy: 1.5215963074864474
Energy: 1.5047421482547145
Energy: 1.521596307484164
Energy: 1.494597879372133
Energy: 1.5487259658907144
Energy: 1.8520976529473347
Energy: 1.548725965889573
Energy: 1.380238591525052
Energy: 1.3894089725503826
Energy: 1.4941132704697058
Energy: 1.389408972552666
Energy: 1.4935000432250576
Energy: 1.3966998489120366
Energy: 1.4647132785431396
Energy: 1.396699848913178
Energy: 1.516246620622443
Energy: 1.396730108038727
Energy: 1.5616709659120642
Energy: 1.3967301080353023
Energy: 1.3587649261740307
Energy: 1.5337384277457526
Energy: 1.7384915231842824
Energy: 1.5337384277423278
Energy: 1.9005418417025703
Energy: 1.5397026052259204
Energy: 1.446729460879934
Energy: 1.5397026052259204
Energy: 1.4921758876534619
Energy: 1.367895923148858
Energy: 1.370592606322053
Energy: 1.367895923152283
Energy: 1.5373470845295032
Energy: 1.4604417402372425
Energy: 1.5397344660751358
Energy: 1.4604417402372425
Energy: 1.5333372778732843
Energy: 1.3903420936054942
Energy: 1.4473443882817603
Energy: 1.3903420936066357
Energy: 1.7820457420383526
Energy: 1.3680730956652707
Energy: 1.374125372791308
Energy: 1.3680730956629874
Energy: 1.516147757882126
Energy: 1.5019492683408293
Energy: 1.9138178996781625
Energy: 1.5019492683408293
Energy: 1.361718454159705
Energy: 1.533790559955255
Energy: 1.5570301190661944
Energy: 1.5337905599563966
Energy: 1.8080759878872865
Energy: 1.4594489948723106
Energy: 1.494590102500809
Energy: 1.459448994874594
Energy: 1.3900269766969213
Energy: 1.3686389359578381
Energy: 1.4679754010836914
Energy: 1.3686389359566964
Energy: 1.3797755614982308
Energy: 1.3899522763249639
Energy: 1.4585286811859877
Energy: 1.3899522763238221
Energy: 1.7764088785923393
Energy: 1.3801759634459747
Energy: 1.5026535325686186
Energy: 1.380175963447116
Energy: 1.6627232015060254
Energy: 1.5467811622248786
Energy: 1.5043481241965153
Energy: 1.5467811622225953
Energy: 1.5283861054967764
Energy: 1.4757290028026828
Energy: 1.7017399863391076
Energy: 1.4757290028072492
Energy: 1.437398054184369
Energy: 1.3904540483794383
Energy: 1.39639428601548
Energy: 1.3904540483828631
Energy: 1.6909575462621231
Energy: 1.4213745173529018
Energy: 1.4531687123652905
Energy: 1.421374517355185
Energy: 1.6360284375987517
Energy: 1.3730709094243316
Energy: 1.8062934599904399
Energy: 1.3730709094231899
Energy: 1.5030371620609102
Energy: 1.372825389876361
Energy: 1.8065720926528006
Energy: 1.3728253898729363
Energy: 1.7186531299791379
Energy: 1.4218178069121525
Energy: 1.460994345832418
Energy: 1.4218178069110108
Energy: 1.4537801591338426
Energy: 1.3903974107066694
Energy: 1.3960054185674764
Energy: 1.3903974107066694
Energy: 1.4759491818722497
Energy: 1.4753657839839902
Energy: 1.7046779085935535
Energy: 1.4753657839839902
Energy: 1.6630604251643062
Energy: 1.3803269656188715
Energy: 1.5074865266913944
Energy: 1.3803269656154467
Energy: 1.9240361562824317
Energy: 1.3805562201578379
Energy: 1.50318634909224
Energy: 1.3805562201578379
Energy: 1.3830530048237193
Energy: 1.3901905498464837
Energy: 1.7352668778758433
Energy: 1.390190549843059
Energy: 1.3894132882178214
Energy: 1.368578795875408
Energy: 1.4601759825900444
Energy: 1.3685787958742663

minimum gb energy = 1.3587649261740307 eV
minimum distance =  2.33703420014852 Angstroms
sigma value = 73


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

Energy: 1.6112168696911877
Energy: 1.5708436823354328
Energy: 1.7731276340889701
Energy: 1.5708436823358032
Energy: 1.568808984636673
Energy: 1.4934719439163462
Energy: 1.5492446221051857
Energy: 1.493471943917602
Energy: 1.5412698322983396
Energy: 1.44575925188315
Energy: 1.4108106722076243
Energy: 1.4457592518838698
Energy: 1.4621801900867435
Energy: 1.3747638556241306
Energy: 1.5426457974276744
Energy: 1.374763855625386
Energy: 1.6643968387035564
Energy: 1.3747943154368827
Energy: 1.6071981141744494
Energy: 1.3747943154374178
Energy: 1.9354197816343206
Energy: 1.599282680902532
Energy: 1.344330882070965
Energy: 1.5992826809034377
Energy: 1.4918367889687993
Energy: 1.4115727836523568
Energy: 1.690045111040289
Energy: 1.411572783653633
Energy: 1.3764623772549816
Energy: 1.374883191296684
Energy: 1.5511027102211474
Energy: 1.3748831912964987
Energy: 1.7199213734365686
Energy: 1.4464821441530031
Energy: 1.588669928237248
Energy: 1.4464821441522622
Energy: 1.3749786028037732
Energy: 1.4459611468932563
Energy: 1.589178167794435
Energy: 1.4459611468914448
Energy: 1.3748959045046398
Energy: 1.375458612904052
Energy: 1.9022986761440095
Energy: 1.3754586129044224
Energy: 1.8131442748540891
Energy: 1.531416712357469
Energy: 1.6071905935246102
Energy: 1.5314167123569131
Energy: 1.6626886445565452
Energy: 1.5992910433908378
Energy: 1.3424587622639015
Energy: 1.599291043391558
Energy: 1.5484337520657883
Energy: 1.651737432942448
Energy: 1.8427092984096947
Energy: 1.6517374329430037
Energy: 1.4617763029058373
Energy: 1.375424550194669
Energy: 1.4182320329523281
Energy: 1.3754245501939488
Energy: 1.5524541167315087
Energy: 1.446666205394919
Energy: 1.410901811593547
Energy: 1.4466662053954542
Energy: 1.5680032626872364
Energy: 1.4980699259288848
Energy: 1.9643316053288264
Energy: 1.4980699259292554
Energy: 1.5686350886247231
Energy: 1.4980480141784327
Energy: 1.9614928369017086
Energy: 1.4980480141784327
Energy: 1.7713861894833793
Energy: 1.4470066964682382
Energy: 1.418038654450778
Energy: 1.4470066964693293
Energy: 1.4616425441855228
Energy: 1.3758873011407362
Energy: 1.410921828138016
Energy: 1.3758873011409214
Energy: 1.5414684189943948
Energy: 1.6054183313370225
Energy: 1.9249892724705142
Energy: 1.6054183313373929
Energy: 1.662832326421995
Energy: 1.5310418004375146
Energy: 1.3425473157957797
Energy: 1.5310418004373294

minimum gb energy = 1.3424587622639015 eV
minimum distance =  2.26187686498059 Angstroms
sigma value = 7


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

Energy: 1.9389231833994816
Energy: 1.739438839377549
Energy: 1.7448826842204568
Energy: 1.7394388393762683
Energy: 1.8265339074158768
Energy: 1.49651755959454
Energy: 1.5530364881182936
Energy: 1.49651755959454
Energy: 1.4724768655543377
Energy: 1.4926219651604469
Energy: 1.4918560810081622
Energy: 1.4926219651604469
Energy: 1.4754538526678287
Energy: 1.3453992212506034
Energy: 1.4785368104964396
Energy: 1.3453992212506034
Energy: 1.583927923756949
Energy: 1.4188943016601754
Energy: 1.4280338517756344
Energy: 1.4188943016601754
Energy: 1.9134163340982508
Energy: 1.4427252445527063
Energy: 1.4277296651483307
Energy: 1.4427252445527063
Energy: 1.5114003914990146
Energy: 1.4836536943224934
Energy: 1.9036836402312156
Energy: 1.4836536943212126
Energy: 1.4276097402213792
Energy: 1.4425872662661583
Energy: 1.6119557529988628
Energy: 1.4425872662648775
Energy: 1.8503991213763398
Energy: 1.4481354064547602
Energy: 1.4870202728891744
Energy: 1.4481354064534795
Energy: 1.4799042796232182
Energy: 1.3456554496786883
Energy: 1.4766469935192625
Energy: 1.345655449679969
Energy: 1.4796826587755607
Energy: 1.4935225963086953
Energy: 1.6610417160783724
Energy: 1.4935225963086953
Energy: 1.9072311997296607
Energy: 1.3457657364527837
Energy: 1.6575754111826588
Energy: 1.3457657364527837
Energy: 1.897701040943126
Energy: 1.5057172570368411
Energy: 1.6567438342653826
Energy: 1.5057172570355604
Energy: 1.4791087872758488
Energy: 1.5388767562484327
Energy: 1.7583934163375783
Energy: 1.5388767562484327
Energy: 1.4792538826304806
Energy: 1.3468876976288955
Energy: 1.4720005838737762
Energy: 1.3468876976301762
Energy: 1.8262448084666052
Energy: 1.5780414020981797
Energy: 1.5020749473849777
Energy: 1.5780414020968987
Energy: 1.4289241606650762
Energy: 1.4866557834230834
Energy: 1.6128161815150643
Energy: 1.486655783424364
Energy: 1.427591682684636
Energy: 1.4192278814301817
Energy: 1.9085285589500802
Energy: 1.4192278814314627
Energy: 1.8868714350850653
Energy: 1.4431189183838034
Energy: 1.4286396808437891
Energy: 1.4431189183812416
Energy: 1.5847636332559294
Energy: 1.4192483263379445
Energy: 1.4281959493217302
Energy: 1.4192483263366638
Energy: 1.4720242562751478
Energy: 1.6043019235748386
Energy: 1.5508819568428343
Energy: 1.604301923573558
Energy: 1.471822601849456
Energy: 1.4928427680130283
Energy: 1.480086117126317
Energy: 1.4928427680130283
Energy: 1.8416990567780276
Energy: 1.4197748242476815
Energy: 1.5244393874732067
Energy: 1.4197748242514947
Energy: 1.8099527687039463
Energy: 1.536306614866504
Energy: 1.9772848167857484
Energy: 1.5363066148626618
Energy: 1.8109957163316361
Energy: 1.3762723143977482
Energy: 1.5874715636372367
Energy: 1.3762723143964672
Energy: 1.489898834410737
Energy: 1.4926850226532147
Energy: 1.48002908778168
Energy: 1.492685022651934
Energy: 1.473219958134296
Energy: 1.3449143313551861
Energy: 1.4789353137604262
Energy: 1.3449143313551861
Energy: 1.583573718282556
Energy: 1.4193307358986555
Energy: 1.850886309122606
Energy: 1.419330735897375
Energy: 1.5815496088920868
Energy: 1.4426117678140924
Energy: 1.4376607338336524
Energy: 1.4426117678128114
Energy: 1.90527624970067
Energy: 1.5725710352474618
Energy: 1.9057066037552015
Energy: 1.5725710352474618
Energy: 1.437596595416796
Energy: 1.4423894302023443
Energy: 1.6116737791679707
Energy: 1.4423894301997828

minimum gb energy = 1.3449143313551861 eV
minimum distance =  2.25204072184057 Angstroms
sigma value = 29


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

Energy: 1.2138527537115937
Energy: 1.6158436297298258
Energy: 1.753941832456207
Energy: 1.6158436297306935
Energy: 1.7995251758987183
Energy: 1.331147986805629
Energy: 1.33729271014162
Energy: 1.3311479868051828
Energy: 1.7512260922170897
Energy: 1.2997648034306988
Energy: 1.3011849873961467
Energy: 1.2997648034306988
Energy: 1.893293247238913
Energy: 1.3408255854545614
Energy: 1.29955156143547
Energy: 1.3408255854545614
Energy: 1.8274065288916228
Energy: 1.481024191978622
Energy: 1.2996833226334388
Energy: 1.4810241919794898
Energy: 1.6103505739801567
Energy: 1.301702596311366
Energy: 1.29961949573982
Energy: 1.301702596311812
Energy: 1.4840961495565779
Energy: 1.2997860141602255
Energy: 2.2183342803707027
Energy: 1.2997860141602255
Energy: 1.2132329786580562
Energy: 1.3025940074891005
Energy: 2.221184691942254
Energy: 1.3025940074891005
Energy: 1.8443904498989956
Energy: 1.4693459062106229
Energy: 1.3007522048644171
Energy: 1.4693459062101766

minimum gb energy = 1.2132329786580562 eV
minimum distance =  2.39373501680395 Angstroms
sigma value = 5


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

Energy: 1.553567587317664
Energy: 1.414410481295917
Energy: 2.105973502079784
Energy: 1.414410481294707
Energy: 1.7053531499703427
Energy: 1.3603940315489245
Energy: 1.561486770228268
Energy: 1.3603940315489245
Energy: 1.4003284830882983
Energy: 1.549833281792725
Energy: 1.4417123074500415
Energy: 1.549833281791515
Energy: 1.4006163206212718
Energy: 1.4566389064013872
Energy: 1.6257232688427916
Energy: 1.456638906402597
Energy: 1.3259405160749589
Energy: 1.490984302384335
Energy: 1.3947490965120004
Energy: 1.4909843023831248
Energy: 1.529834564070601
Energy: 1.5252875131893981
Energy: 1.3929950969200728
Energy: 1.525287513190608
Energy: 1.5436241532816954
Energy: 1.4735867241717606
Energy: 1.5841648479680572
Energy: 1.473586724170551
Energy: 1.5455092048693808
Energy: 1.4740088195085483
Energy: 1.6956503441644184
Energy: 1.4740088195073384
Energy: 1.7801045697808344
Energy: 1.4035623191128899
Energy: 1.5322860046959843
Energy: 1.4035623191116802
Energy: 1.7210453318388286
Energy: 1.4038193483972343
Energy: 1.5343749099934862
Energy: 1.4038193483960248
Energy: 1.452256548702508
Energy: 1.4936399920589958
Energy: 1.4655312190077912
Energy: 1.4936399920565764
Energy: 1.4513537086650359
Energy: 1.493082300749173
Energy: 1.3594753567318523
Energy: 1.493082300749173
Energy: 1.604591781347746
Energy: 1.501669388779969
Energy: 1.3573264284300572
Energy: 1.5016693887775494
Energy: 1.3720084978783413
Energy: 1.491369492806387
Energy: 1.357106643632415
Energy: 1.4913694928100163
Energy: 1.4038220568624145
Energy: 1.5380778798916535
Energy: 1.6965993471845808
Energy: 1.5380778798904435
Energy: 1.888181311455829
Energy: 1.40714701046018
Energy: 1.532412679079958
Energy: 1.4071470104638095
Energy: 1.740904927137636
Energy: 1.4131128428373376
Energy: 1.7009435837849105
Energy: 1.4131128428409672
Energy: 1.4240446387691155
Energy: 1.474999161766864
Energy: 1.7028475125209346
Energy: 1.4749991617656542
Energy: 1.5433290911957849
Energy: 1.4250064438901433
Energy: 1.4458041319986243
Energy: 1.4250064438901433
Energy: 1.4206763062720638
Energy: 1.5074001252250788
Energy: 1.392219496508765
Energy: 1.5074001252794647
Energy: 1.4237759823279448
Energy: 1.4558510620333425
Energy: 1.4839141734776564
Energy: 1.4558510620357623
Energy: 1.559615010746941
Energy: 1.4909840572328654
Energy: 1.4341085994191811
Energy: 1.4909840572364947
Energy: 1.4002873578869313
Energy: 1.4934827909379642
Energy: 1.4309006160536235
Energy: 1.4934827909379642
Energy: 1.6662604472823266
Energy: 1.3984769801821795
Energy: 1.9262267228636458
Energy: 1.3984769801797599
Energy: 1.6643223997924732
Energy: 1.3989838221161832
Energy: 2.04552356032547
Energy: 1.3989838221173931
Energy: 1.6215687923382966
Energy: 1.4912195135960333
Energy: 1.434383217212023
Energy: 1.4912195135936135
Energy: 1.473121611681365
Energy: 1.4923372020057206
Energy: 1.4308738535550873
Energy: 1.4923372020045107
Energy: 1.4223552308274072
Energy: 1.4576166600278975
Energy: 1.652577861590136
Energy: 1.4576166600291074
Energy: 1.4243601738085332
Energy: 1.4930317832084288
Energy: 1.3900265515756471
Energy: 1.4930317832096385
Energy: 1.7161328427598643
Energy: 1.5970051499993303
Energy: 1.5426160387050611
Energy: 1.597005149994491
Energy: 1.482213701470563
Energy: 1.4747864410855651
Energy: 1.581149811466611
Energy: 1.4747864410843554
Energy: 1.574165609366403
Energy: 1.367038727131522
Energy: 1.8377276610320858
Energy: 1.3670387271303126
Energy: 1.9494260654779207
Energy: 1.4061372479779515
Energy: 1.5321360039897929
Energy: 1.4061372479791614

minimum gb energy = 1.3259405160749589 eV
minimum distance =  2.26727696735156 Angstroms
sigma value = 1


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

Energy: 1.4279344719415983
Energy: 1.4292487765582655
Energy: 1.7685523296986745
Energy: 1.4292487765565929
Energy: 1.344025641559641
Energy: 1.3795455463061619
Energy: 1.4205301293905865
Energy: 1.3795455463061619
Energy: 1.5260418138593899
Energy: 1.4973150154745256
Energy: 1.511556164018195
Energy: 1.4973150154745256
Energy: 1.4192819880757148
Energy: 1.4983337435459336
Energy: 1.4844161855506275
Energy: 1.4983337435459336
Energy: 1.3205943882013698
Energy: 1.4292383052478148
Energy: 1.319477577541109
Energy: 1.4292383052478148
Energy: 1.3197549406666782
Energy: 1.3197920610560832
Energy: 1.3197051765253542
Energy: 1.3197920610560832
Energy: 1.4882167319596598
Energy: 1.4970819273429534
Energy: 1.5254785670127884
Energy: 1.4970819273429534
Energy: 1.4873327833807006
Energy: 1.4969184079340874
Energy: 1.5264660345226184
Energy: 1.4969184079340874
Energy: 1.7024690556364548
Energy: 1.4292273512591582
Energy: 1.4045733260557802
Energy: 1.4292273512591582
Energy: 1.7024690556381274
Energy: 1.4292279757418638
Energy: 1.4045807238453736
Energy: 1.4292279757418638
Energy: 1.487299701428822
Energy: 1.4967669729508286
Energy: 1.5264660345226184
Energy: 1.4967669729508286
Energy: 1.4882489279052542
Energy: 1.4970831369109399
Energy: 1.5254785670127884
Energy: 1.4970831369109399
Energy: 1.3197532159501428
Energy: 1.3197419450125798
Energy: 1.3197399048886904
Energy: 1.3197419450125798
Energy: 1.320594478307503
Energy: 1.4293816358883005
Energy: 1.3194760076791403
Energy: 1.4293816358883005
Energy: 1.4193669608458683
Energy: 1.4982475781669615
Energy: 1.4844253481765428
Energy: 1.4982475781686342
Energy: 1.5260418138577172
Energy: 1.4972904456644531
Energy: 1.511509570979416
Energy: 1.4972904456644531
Energy: 1.344026871582955
Energy: 1.3795056882016694
Energy: 1.4205250808688172
Energy: 1.3795056882016694
Energy: 1.4279344719415983
Energy: 1.4292487765565929
Energy: 1.7685523235323128
Energy: 1.4292487765582655
Energy: 1.344025641559641
Energy: 1.3795455463078345
Energy: 1.4205301293889139
Energy: 1.3795455463061619
Energy: 1.5260418138593899
Energy: 1.4973150154745256
Energy: 1.511556164018195
Energy: 1.4973150154745256
Energy: 1.4192819880757148
Energy: 1.4983337435459336
Energy: 1.4844161855506275
Energy: 1.4983337435476067
Energy: 1.3205943882013698
Energy: 1.4292383052478148
Energy: 1.319477577541109
Energy: 1.4292383052478148
Energy: 1.3197549406666782
Energy: 1.3197920610560832
Energy: 1.3197051765253542
Energy: 1.3197920610560832
Energy: 1.4882167319596598
Energy: 1.4970819273429534
Energy: 1.5254785670127884
Energy: 1.4970819273429534

minimum gb energy = 1.3194760076791403 eV
minimum distance =  2.28243104799013 Angstroms
sigma value = 17


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

Energy: 1.611937456467232
Energy: 1.4274528849175767
Energy: 2.021754666091508
Energy: 1.4274528849186106
Energy: 1.6831680238542661
Energy: 1.3361133959587224
Energy: 1.4944182919112223
Energy: 1.3361133959576887
Energy: 1.368045811736663
Energy: 1.4654194386669972
Energy: 1.4270536110362175
Energy: 1.465419438669065
Energy: 1.375286022164711
Energy: 1.4020020155066186
Energy: 1.6165984930257895
Energy: 1.4020020155076522
Energy: 1.3998797601579949
Energy: 1.4590741563101277
Energy: 1.4157469611069655
Energy: 1.459074156309094
Energy: 1.4608847002028647
Energy: 1.461931494285078
Energy: 1.4171352294709763
Energy: 1.461931494285078
Energy: 1.4213270192137748
Energy: 1.4730902182706531
Energy: 1.339770610697834
Energy: 1.473090218268632
Energy: 1.420672679831611
Energy: 1.4727972379822165
Energy: 1.3989359025315633
Energy: 1.4727972379822165
Energy: 1.4544915627389337
Energy: 1.414267785058119
Energy: 1.593067022177668
Energy: 1.4142677850601868
Energy: 1.4457103717782507
Energy: 1.4143340799256319
Energy: 1.590874337944679
Energy: 1.4143340799277
Energy: 1.4819347891696477
Energy: 1.4195642977156075
Energy: 1.635094862117312
Energy: 1.4195642977145735
Energy: 1.4796316270219623
Energy: 1.4193303152700356
Energy: 1.404919538097218
Energy: 1.4193303152700356
Energy: 1.445132250925052
Energy: 1.4801677071716925
Energy: 1.4376622577156024
Energy: 1.480167707170659
Energy: 1.371394797243847
Energy: 1.4594444260238773
Energy: 1.437639386312626
Energy: 1.459444426024911
Energy: 1.3747906884145722
Energy: 1.5023609707573577
Energy: 1.4584397346301694
Energy: 1.502360970756324
Energy: 1.3755088741612087
Energy: 1.4729552975919173
Energy: 1.3819926070064166
Energy: 1.4729552975929514
Energy: 1.5957426677804558
Energy: 1.3790204746611683
Energy: 1.4206641686423302
Energy: 1.3790204746611683
Energy: 1.478855564794313
Energy: 1.4610734527087819
Energy: 1.628804056571632
Energy: 1.4610734527108493
Energy: 1.4723011325144963
Energy: 1.3645248484439467
Energy: 1.565830841028619
Energy: 1.3645248484429129
Energy: 1.8526062733073743
Energy: 1.4204679152635038
Energy: 1.478272997731798
Energy: 1.4204679152604018
Energy: 1.422741951608739
Energy: 1.5733025201514332
Energy: 1.6295955063611727
Energy: 1.5733025201503992
Energy: 1.4225250895212547
Energy: 1.4595252927444307
Energy: 1.3477296420715348
Energy: 1.4595252927454643
Energy: 1.5446838356597943
Energy: 1.4589003351470895
Energy: 1.4640801450757996
Energy: 1.4589003351470895
Energy: 1.3909630513264268
Energy: 1.4734260151182934
Energy: 1.3489633974537727
Energy: 1.4734260151182934
Energy: 1.395426216688133
Energy: 1.5019734801642648
Energy: 1.4926751417438227
Energy: 1.5019734801642648
Energy: 1.3706838793172222
Energy: 1.4599703553061074
Energy: 1.4157719717759008
Energy: 1.459970355309209
Energy: 1.394038711133218
Energy: 1.4600154578484765
Energy: 1.4872656739283194
Energy: 1.4600154578495101
Energy: 1.5904043982687923
Energy: 1.357608086165817
Energy: 1.4930396200770204
Energy: 1.3576080861647835
Energy: 1.584881146077963
Energy: 1.3588223644857516
Energy: 1.4928564568960687
Energy: 1.3588223644847177
Energy: 1.3682959826328838
Energy: 1.4599516199023774
Energy: 1.4155374974336676
Energy: 1.4599516199003093
Energy: 1.3722257827571227
Energy: 1.460165803051645
Energy: 1.4871808723476534
Energy: 1.460165803049577
Energy: 1.3906513891929815
Energy: 1.5040862127663306
Energy: 1.4135921767183879
Energy: 1.5040862127663306
Energy: 1.3961138019060182
Energy: 1.4741670538428184
Energy: 1.3467456514322678
Energy: 1.4741670538428184
Energy: 1.5086434349494535
Energy: 1.4805504026593623
Energy: 1.3475034127676448
Energy: 1.4805504026614298
Energy: 1.428508473615362
Energy: 1.4606434324037838
Energy: 1.399178157354973
Energy: 1.4606434324037838
Energy: 1.5101224046325117
Energy: 1.3646703071574582
Energy: 1.6045366622357076
Energy: 1.3646703071553905
Energy: 1.8882537013753782
Energy: 1.4185421369219715
Energy: 1.4783668502995746
Energy: 1.4185421369240396
Energy: 1.6127828666595012
Energy: 1.364053181653337
Energy: 1.6361627475925824
Energy: 1.364053181652303

minimum gb energy = 1.3361133959576887 eV
minimum distance =  2.2824148998883 Angstroms
sigma value = 89


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

Energy: 1.51363615730321
Energy: 1.3655700450927337
Energy: 1.789974529904001
Energy: 1.3655700450927337
Energy: 1.3993112944340191
Energy: 1.4573661938027722
Energy: 1.5527187472665367
Energy: 1.4573661938024953
Energy: 1.469797979725275
Energy: 1.3533747718092026
Energy: 1.3223272853913914
Energy: 1.3533747718094793
Energy: 1.3844907754360094
Energy: 1.427697016341672
Energy: 1.5722527798352555
Energy: 1.4276970163421947
Energy: 1.392515439228374
Energy: 1.411972190324694
Energy: 1.3103486158832687
Energy: 1.4119721903241407
Energy: 1.373733830278331
Energy: 1.589673688769474
Energy: 1.4442139645433687
Energy: 1.589673688769474
Energy: 1.3767891475929999
Energy: 1.3532063924153437
Energy: 1.3108507602482193
Energy: 1.353206392415067
Energy: 1.3761103185793067
Energy: 1.4240316441913823
Energy: 1.544317531608083
Energy: 1.4240316441913823
Energy: 1.469572905521633
Energy: 1.4121643495309049
Energy: 1.3057325282169223
Energy: 1.4121643495306282
Energy: 1.3739247033900333
Energy: 1.4126986386899902
Energy: 1.3063730149131554
Energy: 1.412698638689191
Energy: 1.4661927332052718
Energy: 1.3532934943839248
Energy: 1.5442853726244614
Energy: 1.3532934943839248
Energy: 1.4695801396822257
Energy: 1.3540044050180668
Energy: 1.5442356251456035
Energy: 1.3540044050177902
Energy: 1.4700436708938696
Energy: 1.4122475060463928
Energy: 1.3055230991966027
Energy: 1.4122475060458703
Energy: 1.4697417297988036
Energy: 1.4131449047824534
Energy: 1.3058854516984408
Energy: 1.4131449047824534
Energy: 1.375489928487093
Energy: 1.4238801561514072
Energy: 1.5445016370903684
Energy: 1.4238801561516836

minimum gb energy = 1.3055230991966027 eV
minimum distance =  2.28445438294579 Angstroms
sigma value = 13


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

Energy: 1.3688557462837143
Energy: 1.3187416421810254
Energy: 1.591898427255743
Energy: 1.3187416421810254
Energy: 1.349310530821164
Energy: 1.295024724252502
Energy: 1.3340454346534512
Energy: 1.295024724252502
Energy: 1.3536277645026265
Energy: 1.2897008667053707
Energy: 1.363349489187344
Energy: 1.2897008667053707
Energy: 1.3463681322482237
Energy: 1.3810409335230405
Energy: 1.3352208721291992
Energy: 1.3810409335230405
Energy: 1.2746576554088889
Energy: 1.3206938296077892
Energy: 1.2746679673974006
Energy: 1.3206938296077892
Energy: 1.4356532196125527
Energy: 1.3215819868500416
Energy: 1.3516493695878558
Energy: 1.3215819868500416
Energy: 1.3031498679178808
Energy: 1.2896249072610462
Energy: 1.3112202406677773
Energy: 1.2896249072610462
Energy: 1.3074386321050047
Energy: 1.3496066059302596
Energy: 1.3040477765204008
Energy: 1.3496066059291258
Energy: 1.2680160050189788
Energy: 1.3211481937402458
Energy: 1.2671018817765212
Energy: 1.3211481937402458
Energy: 1.513909326343136
Energy: 1.3216489899066
Energy: 1.3806027379564456
Energy: 1.3216489899066
Energy: 1.347479489676562
Energy: 1.2895828115684058
Energy: 1.3481943441043482
Energy: 1.2895828115684058
Energy: 1.333860221732444
Energy: 1.2903558730160392
Energy: 1.302337642546857
Energy: 1.2903558730149056
Energy: 1.3906706279043057
Energy: 1.3103098632787307
Energy: 1.3329125406413396
Energy: 1.3103098632787307
Energy: 1.379655891801205
Energy: 1.31323186493837
Energy: 1.497307112517538
Energy: 1.3132318649372363
Energy: 1.347433485136458
Energy: 1.2899345676700693
Energy: 1.3457356268033576
Energy: 1.2899345676689873
Energy: 1.3401040200746912
Energy: 1.2902819223403952
Energy: 1.353895452261553
Energy: 1.290281922341529
Energy: 1.3916395034414388
Energy: 1.3210340666132734
Energy: 1.2673610708801928
Energy: 1.3210340666132734
Energy: 1.274659197394743
Energy: 1.321437569165575
Energy: 1.381006524387478
Energy: 1.321437569165575
Energy: 1.3029463720067123
Energy: 1.2900635850588225
Energy: 1.3080742935834784
Energy: 1.2900635850599564
Energy: 1.3106456423459663
Energy: 1.2902521765698092
Energy: 1.3029441266933905
Energy: 1.2902521765698092
Energy: 1.3810259374684966
Energy: 1.3214404785207328
Energy: 1.2743114618156015
Energy: 1.321440478519599
Energy: 1.2673744798256918
Energy: 1.3211221883285522
Energy: 1.3916395034414388
Energy: 1.3211221883285522
Energy: 1.3538954522638205
Energy: 1.2901415275641674
Energy: 1.3402477930057073
Energy: 1.2901415275641674
Energy: 1.3457356268033576
Energy: 1.289897458729775
Energy: 1.3469400565168221
Energy: 1.289897458729775
Energy: 1.497882652415527
Energy: 1.3131725894350839
Energy: 1.3799063768526323
Energy: 1.3131725894362176
Energy: 1.3331117830757226
Energy: 1.3102264777199069
Energy: 1.3906706279009045
Energy: 1.3102264777199069
Energy: 1.3022236322064276
Energy: 1.2903766786702842
Energy: 1.3335883049859705
Energy: 1.2903766786691504
Energy: 1.348194344105482
Energy: 1.2897147085699139
Energy: 1.3474559866227838
Energy: 1.2897147085699139
Energy: 1.3805999267250195
Energy: 1.32164669086254
Energy: 1.514035328506506
Energy: 1.32164669086254
Energy: 1.2672016635714858
Energy: 1.3210748897674445
Energy: 1.2680107011775255
Energy: 1.3210748897674445
Energy: 1.338564281183867
Energy: 1.3491845673178513
Energy: 1.3383505857702547
Energy: 1.3491845673178513
Energy: 1.3112179235310761
Energy: 1.2896411994528671
Energy: 1.30315429960278
Energy: 1.2896411994528671
Energy: 1.3517318735708979
Energy: 1.321591661167884
Energy: 1.4357855242267759
Energy: 1.321591661167884
Energy: 1.2745308915349847
Energy: 1.3206754839981478
Energy: 1.274660197666208
Energy: 1.3206754839981478
Energy: 1.3348398912265784
Energy: 1.3811289560673765
Energy: 1.3471579641064846
Energy: 1.3811289560673765

minimum gb energy = 1.2671018817765212 eV
minimum distance =  2.32110605834115 Angstroms
sigma value = 37


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

Energy: 1.36247333702529
Energy: 1.212917146815453
Energy: 1.5469557462185763
Energy: 1.2129171468150541
Energy: 1.214107492186384
Energy: 1.2522458027528482
Energy: 1.3111402165211257
Energy: 1.2522458027530479
Energy: 1.3428867863276064
Energy: 1.199535976817099
Energy: 1.3127788979939186
Energy: 1.1995359768178746
Energy: 1.3610815062546748
Energy: 1.2704219797939986
Energy: 1.3110008317449908
Energy: 1.2704219797939986
Energy: 1.2717846353202948
Energy: 1.1993784066860795
Energy: 1.3691715600115766
Energy: 1.199378406685503
Energy: 1.386361222172595
Energy: 1.2446186594336943
Energy: 1.2985111886509502
Energy: 1.244618659432719
Energy: 1.2560414210676185
Energy: 1.1996621081956595
Energy: 1.2607013113720003
Energy: 1.199662108195859
Energy: 1.2565812261175358
Energy: 1.3495229995917566
Energy: 1.3018040546106915
Energy: 1.3495229995913796
Energy: 1.2630520189270324
Energy: 1.1993629284610032
Energy: 1.3018163590759968
Energy: 1.1993629284606266
Energy: 1.3854879894553962
Energy: 1.2449064458496242
Energy: 1.298810286622742
Energy: 1.2449064458498236
Energy: 1.2464170421528615
Energy: 1.1993416065638618
Energy: 1.3663163104947142
Energy: 1.1993416065638618
Energy: 1.2345613013901988
Energy: 1.2463228808453668
Energy: 1.345584935117813
Energy: 1.2463228808449676
Energy: 1.3439977594122923
Energy: 1.1988643516082462
Energy: 1.3178814842468263
Energy: 1.1988643516078472
Energy: 1.2139924259642325
Energy: 1.1995349575365448
Energy: 1.292164539656498
Energy: 1.1995349575369216
Energy: 1.3155862373792508
Energy: 1.2142309720810627
Energy: 1.3662711818793398
Energy: 1.214230972081262
Energy: 1.282983005694768
Energy: 1.2363872511322052
Energy: 1.3111311905744691
Energy: 1.2363872511324046
Energy: 1.3428422450946236
Energy: 1.198878137686734
Energy: 1.3180247618029708
Energy: 1.198878137687111
Energy: 1.3231141564137172
Energy: 1.1994635683727848
Energy: 1.318385929514465
Energy: 1.199463568373361
Energy: 1.2464684583072094
Energy: 1.1993465034311663
Energy: 1.3663008008736988
Energy: 1.1993465034305901
Energy: 1.2347751465032735
Energy: 1.2458904328518872
Energy: 1.3684573595019893
Energy: 1.2458904328524858

minimum gb energy = 1.1988643516078472 eV
minimum distance =  2.28705766752877 Angstroms
sigma value = 25


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

Energy: 1.2756710978575472
Energy: 1.100328910115878
Energy: 1.3519882251347275
Energy: 1.100328910115878
Energy: 1.1988496891395053
Energy: 1.2277706611645793
Energy: 1.1921424096425537
Energy: 1.2277706611661026
Energy: 1.1936841745190394
Energy: 1.083950684509151
Energy: 1.2534368388421944
Energy: 1.083950684509151
Energy: 1.1810277782200418
Energy: 1.1246954105203668
Energy: 1.192291521980762
Energy: 1.1246954105188438
Energy: 1.193196534914257
Energy: 1.0790897947279692
Energy: 1.2042323016410974
Energy: 1.0790897947294924
Energy: 1.1810203526804592
Energy: 1.136200027096047
Energy: 1.2097638267494395
Energy: 1.136200027096047
Energy: 1.1434804433217511
Energy: 1.0790448760196492
Energy: 1.1979394967175467
Energy: 1.0790448760211724
Energy: 1.1904651589762765
Energy: 1.1035524168475717
Energy: 1.249052308503516
Energy: 1.1035524168475717
Energy: 1.1505633788158325
Energy: 1.0789733486171496
Energy: 1.175301932335882
Energy: 1.0789733486156263
Energy: 1.2037419602264952
Energy: 1.158369725290143
Energy: 1.179097927189953
Energy: 1.158369725290143
Energy: 1.1391980252298255
Energy: 1.07900549088777
Energy: 1.1834550551958023
Energy: 1.0790054908862465
Energy: 1.1866085912795648
Energy: 1.103780429164243
Energy: 1.209260430656285
Energy: 1.103780429164243
Energy: 1.1464057073563023
Energy: 1.078886174131466
Energy: 1.1734725230671037
Energy: 1.078886174131466
Energy: 1.194760404842975
Energy: 1.1037329969588137
Energy: 1.1490514297162446
Energy: 1.1037329969588137
Energy: 1.1406758047240915
Energy: 1.0790909899635048
Energy: 1.2073462258597736
Energy: 1.0790909899635048
Energy: 1.1805424167912477
Energy: 1.0788388763228043
Energy: 1.1449079725267517
Energy: 1.0788388763228043
Energy: 1.1907522815884226
Energy: 1.0838774468946775
Energy: 1.1255027265721456
Energy: 1.0838774468946775
Energy: 1.1198093463449375
Energy: 1.13321137817934
Energy: 1.1702997323575737
Energy: 1.13321137817934
Energy: 1.1402079917584411
Energy: 1.1004951209622424
Energy: 1.2078348084774368
Energy: 1.100495120960719
Energy: 1.1985239086363304
Energy: 1.1016336395104074
Energy: 1.19549816966724
Energy: 1.1016336395088842
Energy: 1.1902808128282665
Energy: 1.0839897366456024
Energy: 1.1268448361951526
Energy: 1.083989736644079
Energy: 1.1948955309473415
Energy: 1.098037834781646
Energy: 1.1701931398381988
Energy: 1.098037834781646
Energy: 1.1405716826502614
Energy: 1.0792315295904957
Energy: 1.2075204389619896
Energy: 1.0792315295904957
Energy: 1.180771917002176
Energy: 1.078905849196653
Energy: 1.2095421602563952
Energy: 1.078905849196653
Energy: 1.1474222092073676
Energy: 1.0788778953640255
Energy: 1.1734553668631005
Energy: 1.0788778953655487
Energy: 1.2343999533263432
Energy: 1.1039390511494431
Energy: 1.1493882905474537
Energy: 1.1039390511494431

minimum gb energy = 1.0788388763228043 eV
minimum distance =  2.29589891822576 Angstroms
sigma value = 41


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

Energy: 1.1421442591120265
Energy: 1.0103885600103983
Energy: 1.2119684500179144
Energy: 1.0103885600091493
Energy: 1.0957959594964852
Energy: 1.0489758385039178
Energy: 1.0910672203592113
Energy: 1.0489758385064156
Energy: 1.0818726531549472
Energy: 0.9928119111472395
Energy: 1.1749414711174702
Energy: 0.9928119111497372
Energy: 1.0933631181454853
Energy: 1.0417345095392938
Energy: 1.090854095583285
Energy: 1.0417345095405426
Energy: 1.16547347888204
Energy: 0.9831420702962195
Energy: 1.0876521984631322
Energy: 0.9831420702962195
Energy: 1.0931221348498652
Energy: 1.0428203393562234
Energy: 1.0846178982462265
Energy: 1.0428203393562234
Energy: 1.1113194401688364
Energy: 0.9816323723212435
Energy: 1.1193495572056182
Energy: 0.9816323723199947
Energy: 1.1015120010685853
Energy: 1.050373858974018
Energy: 1.0844588472146772
Energy: 1.050373858974018
Energy: 1.1247469355058226
Energy: 0.9818413597681809
Energy: 1.0810780067676875
Energy: 0.9818413597694298
Energy: 1.1445359539174036
Energy: 1.0411382170208985
Energy: 1.101554108456281
Energy: 1.0411382170196495
Energy: 1.1006258345275621
Energy: 0.9815617609798174
Energy: 1.0865029685756444
Energy: 0.981561760982315
Energy: 1.088246486709935
Energy: 1.0289905240406068
Energy: 1.1021533699877746
Energy: 1.0289905240393578
Energy: 1.1074493557764526
Energy: 0.9819249565657037
Energy: 1.0621065323239636
Energy: 0.9819249565619572
Energy: 1.1014710625016504
Energy: 0.9969683493645908
Energy: 1.0997072707092093
Energy: 0.9969683493645908
Energy: 1.1014296651660527
Energy: 0.9816504367012292
Energy: 1.0782591267396384
Energy: 0.981650436702478
Energy: 1.0756525049139334
Energy: 0.9968022761396174
Energy: 1.1071648376370444
Energy: 0.9968022761396174
Energy: 1.1152559330622813
Energy: 0.9817632669992491
Energy: 1.0681963294538626
Energy: 0.9817632670017467
Energy: 1.0891441947147857
Energy: 0.9813618207222718
Energy: 1.0966569327162183
Energy: 0.9813618207235206
Energy: 1.129833375734346
Energy: 0.9831338960101343
Energy: 1.0894681672250859
Energy: 0.9831338960101343
Energy: 1.0885150518906157
Energy: 1.0288947126430317
Energy: 1.0755063718464508
Energy: 1.0288947126455292
Energy: 1.0791498127151162
Energy: 0.9931334945898078
Energy: 1.095078075584619
Energy: 0.9931334945910566
Energy: 1.0707761552892032
Energy: 1.032984490297578
Energy: 1.086480755085039
Energy: 1.032984490298827
Energy: 1.0558573618128821
Energy: 1.0108392005995765
Energy: 1.091439348188625
Energy: 1.0108392005995765
Energy: 1.100927310193659
Energy: 1.0154223217168206
Energy: 1.0756051832299005
Energy: 1.0154223217168206
Energy: 1.0790023921689014
Energy: 0.9931472031242121
Energy: 1.095050145156387
Energy: 0.9931472031292076
Energy: 1.0894314012254853
Energy: 0.9928567802378698
Energy: 1.0863400484068713
Energy: 0.9928567802403108
Energy: 1.1299681669678239
Energy: 0.983215362393195
Energy: 1.0916203552099017
Energy: 0.983215362393195
Energy: 1.0866299394279721
Energy: 0.992088816652166
Energy: 1.1068640099941043
Energy: 0.9920888166509171
Energy: 1.1090749369932307
Energy: 0.9817234261273865
Energy: 1.0683113620349203
Energy: 0.9817234261273865
Energy: 1.1011411336223658
Energy: 0.9812010842024858
Energy: 1.0879691944208727
Energy: 0.9812010841999881
Energy: 1.1014245919368555
Energy: 0.9816267279271316
Energy: 1.0791309566596865
Energy: 0.9816267279283805
Energy: 1.0758922881317925
Energy: 0.9963587020429675
Energy: 1.1164599556600374
Energy: 0.9963587020417187

minimum gb energy = 0.9812010841999881 eV
minimum distance =  2.299052431859 Angstroms
sigma value = 15


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

Energy: 1.1497654906857404
Energy: 0.9328893204533434
Energy: 1.1537200518563984
Energy: 0.9328893204512275
Energy: 1.0154787249592108
Energy: 0.9666296793936625
Energy: 1.0142223312300613
Energy: 0.9666296793968363
Energy: 0.9943154505398841
Energy: 0.9231565082039739
Energy: 1.0441988023801587
Energy: 0.9231565082039739
Energy: 1.009095984879437
Energy: 0.9581080438977281
Energy: 1.0074961116554475
Energy: 0.9581080438977281
Energy: 1.0958605863036133
Energy: 0.9125725199309712
Energy: 0.9989389840527858
Energy: 0.9125725199299132
Energy: 1.0092597043206422
Energy: 0.9568066732550102
Energy: 1.0109854321983158
Energy: 0.9568066732550102
Energy: 1.017172935632745
Energy: 0.9028295620182909
Energy: 1.0153265374956462
Energy: 0.9028295620204068
Energy: 1.007378533175403
Energy: 0.958376875248989
Energy: 1.0110567211781198
Energy: 0.9583768752458153
Energy: 1.0546125686322168
Energy: 0.9027026989175515
Energy: 1.0006339890064144
Energy: 0.9027026989186095
Energy: 1.0073655323299133
Energy: 0.9212147617108545
Energy: 1.0190905340762857
Energy: 0.9212147617119125
Energy: 1.0078787420521897
Energy: 0.9029703947733718
Energy: 0.9951099770563293
Energy: 0.9029703947744296
Energy: 1.0209933655234735
Energy: 0.9419423344801083
Energy: 1.059590766146032
Energy: 0.9419423344811662
Energy: 1.0276543040585606
Energy: 0.9030505526898756
Energy: 0.9943727295428969
Energy: 0.9030505526909335
Energy: 1.021070027614032
Energy: 0.9338742798032547
Energy: 1.0168869536612515
Energy: 0.9338742798043124
Energy: 0.9980944346215201
Energy: 0.9032811715855114
Energy: 0.9913721078776748
Energy: 0.9032811715865694
Energy: 1.0208693259376584
Energy: 0.9339371372042159
Energy: 1.0180733425334068
Energy: 0.9339371372042159
Energy: 1.0169273816289301
Energy: 0.9028352321725812
Energy: 0.9926845448479895
Energy: 0.9028352321725812
Energy: 1.0179673724773737
Energy: 0.9137985349692422
Energy: 1.0125118558836714
Energy: 0.913798534973474
Energy: 1.0070754935669881
Energy: 0.9029354452045084
Energy: 1.0056474286365298
Energy: 0.9029354452055665
Energy: 1.010672602203876
Energy: 0.9211720644447089
Energy: 1.006425206424669
Energy: 0.9211720644447089
Energy: 1.02217946580075
Energy: 0.9033449469344993
Energy: 1.0112138824767003
Energy: 0.9033449469355571
Energy: 1.0146226003695904
Energy: 0.9495588460888841
Energy: 1.00872330973748
Energy: 0.9495588460888841
Energy: 1.0232419000981543
Energy: 0.9122226904022249
Energy: 0.999806216475806
Energy: 0.9122226904001091
Energy: 1.0122641640154153
Energy: 0.956817493982052
Energy: 1.0121235972702733
Energy: 0.9568174939831099
Energy: 0.99293068100426
Energy: 0.9229628805700864
Energy: 1.0375944264072818
Energy: 0.9229628805722022
Energy: 0.9947601365182801
Energy: 0.9582442763478528
Energy: 1.0197739421002148
Energy: 0.9582442763467948
Energy: 0.9903087381469567
Energy: 0.9332783074432167
Energy: 1.0019350032711567
Energy: 0.9332783074432167
Energy: 1.0151914930459702
Energy: 0.9651774157682356
Energy: 1.0122108332138
Energy: 0.9651774157703513
Energy: 0.9999644867561807
Energy: 0.9229743887842906
Energy: 1.0377323991959408
Energy: 0.9229743887811167
Energy: 1.0149252199591992
Energy: 0.9237962835885057
Energy: 1.0199320049621283
Energy: 0.9237962835885057
Energy: 1.0233171451644674
Energy: 0.9125555376556956
Energy: 1.0016063141316371
Energy: 0.9125555376567535
Energy: 1.0119677145980746
Energy: 0.9238454969065284
Energy: 1.0063354569516234
Energy: 0.9238454969044125
Energy: 1.0160889998476608
Energy: 0.9033291509108499
Energy: 1.0111863822463245
Energy: 0.9033291509108499
Energy: 1.0182269745630363
Energy: 0.9101863402537108
Energy: 1.0101429174311776
Energy: 0.910186340251595
Energy: 1.007076022225744
Energy: 0.902802175385802
Energy: 1.0123698977936486
Energy: 0.902802175385802
Energy: 1.011556163707348
Energy: 0.9226558406919549
Energy: 1.018171501261041
Energy: 0.9226558406919549
Energy: 1.0047018094679365
Energy: 0.9032715882550262
Energy: 0.9926737829927795
Energy: 0.9032715882539682

minimum gb energy = 0.9027026989175515 eV
minimum distance =  2.30695061641675 Angstroms
sigma value = 85


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

Energy: 1.0432543219068198
Energy: 0.8635607936028635
Energy: 0.9947854835153921
Energy: 0.8635607936028635
Energy: 0.9114467540193014
Energy: 0.9691939175341561
Energy: 0.922685400993816
Energy: 0.9691939175341561
Energy: 0.9031635170541946
Energy: 0.861562888947379
Energy: 1.0810809184557857
Energy: 0.8615628889455439
Energy: 0.9102657122567733
Energy: 0.8500278913954609
Energy: 0.9227354263733064
Energy: 0.8500278913945434
Energy: 0.9941272830182963
Energy: 0.8290065724589571
Energy: 0.9173364099368922
Energy: 0.8290065724580395
Energy: 0.9103561862188636
Energy: 0.8543778058304682
Energy: 0.9212135647112789
Energy: 0.8543778058313856
Energy: 0.9340340056561769
Energy: 0.8301652762403835
Energy: 1.0243923317218915
Energy: 0.8301652762413011
Energy: 0.9237741160859984
Energy: 0.8679592688068537
Energy: 0.9211957284199698
Energy: 0.8679592688059361
Energy: 0.9541388604300307
Energy: 0.8136368941364946
Energy: 0.9534576957188537
Energy: 0.8136368941355773
Energy: 0.9239071088086345
Energy: 0.8819595153234129
Energy: 0.9322290046708673
Energy: 0.8819595153252481
Energy: 0.9133753000069095
Energy: 0.8136625745278206
Energy: 0.9826121693701738
Energy: 0.8136625745278206
Energy: 0.9475217535006261
Energy: 0.831116027835071
Energy: 0.9321087250513822
Energy: 0.8311160278378237
Energy: 0.92613627231529
Energy: 0.8137320157174769
Energy: 0.9324833888245888
Energy: 0.8137320157165593
Energy: 0.9833352979189313
Energy: 0.8646725218951444
Energy: 0.9490340819854518
Energy: 0.864672521896062
Energy: 0.9078990861926409
Energy: 0.8137182175588158
Energy: 0.9549183995881024
Energy: 0.8137182175597333
Energy: 0.9434984675405309
Energy: 0.8630329790469347
Energy: 0.9491076992812972
Energy: 0.8630329790460172
Energy: 0.9142620147317511
Energy: 0.8137170429569085
Energy: 0.9291267485781002
Energy: 0.8137170429569085
Energy: 0.9470415999165855
Energy: 0.8625932291136421
Energy: 0.948834929123354
Energy: 0.8625932291136421
Energy: 0.9198412490012718
Energy: 0.8139930092419474
Energy: 0.9448911182082987
Energy: 0.8139930092419474
Energy: 0.9457738930276689
Energy: 0.8315620205902386
Energy: 0.9398224843416941
Energy: 0.831562020591156
Energy: 0.9193523714000691
Energy: 0.8136592323324703
Energy: 0.9366735586757027
Energy: 0.8136592323343054
Energy: 0.9242407662030634
Energy: 0.8314135709257843
Energy: 0.9314216323954475
Energy: 0.8314135709257843
Energy: 0.9423564923783319
Energy: 0.81369946090747
Energy: 0.9532464066087308
Energy: 0.8136994609083876
Energy: 0.9289967027957795
Energy: 0.8662642584549374
Energy: 0.9133274134993323
Energy: 0.8662642584549374
Energy: 0.9338711255731778
Energy: 0.8300074774273928
Energy: 0.9056928247120076
Energy: 0.8300074774273928
Energy: 0.9102677008371866
Energy: 0.8544407302771858
Energy: 0.921052613054056
Energy: 0.8544407302771858
Energy: 0.9230776755785924
Energy: 0.8286745119761614
Energy: 0.9133634463655654
Energy: 0.8286745119752438
Energy: 0.9333155810147143
Energy: 0.8554782323445194
Energy: 0.8990292288072309
Energy: 0.855478232343602
Energy: 0.9017730085547735
Energy: 0.8609314054091247
Energy: 0.9105373975595668
Energy: 0.8609314054100423
Energy: 0.9115349923366648
Energy: 0.8485572261655492
Energy: 0.9225861978725978
Energy: 0.8485572261655492
Energy: 0.9429452192214601
Energy: 0.8631128378730537
Energy: 0.9153627623969165
Energy: 0.8631128378748887
Energy: 0.9496855427387638
Energy: 0.831637427728626
Energy: 0.898783635042396
Energy: 0.8316374277295437
Energy: 0.902260648636493
Energy: 0.8610056436463606
Energy: 0.9104886626110554
Energy: 0.8610056436463606
Energy: 0.9101381464221597
Energy: 0.8135535342394852
Energy: 0.9226398711852085
Energy: 0.8135535342404028
Energy: 0.9232139074947286
Energy: 0.8287891481576548
Energy: 0.9152817710509271
Energy: 0.8287891481585722
Energy: 0.9333424396609548
Energy: 0.8126645795591286
Energy: 0.9131979368710957
Energy: 0.8126645795572934
Energy: 0.9332699628116347
Energy: 0.8299522368077189
Energy: 0.905724692193948
Energy: 0.8299522368068013
Energy: 0.9243493277277143
Energy: 0.8133345267793733
Energy: 0.9212254455113728
Energy: 0.8133345267784557
Energy: 0.9424709040114441
Energy: 0.813642091596903
Energy: 0.953995270784367
Energy: 0.8136420915978205
Energy: 0.9293459738877696
Energy: 0.8139120016544602
Energy: 0.9402421131918821
Energy: 0.8139120016526251
Energy: 0.9150578982759934
Energy: 0.8136933547622799
Energy: 0.9367258009727089
Energy: 0.8136933547604447
Energy: 0.9468995265929329
Energy: 0.8311604795520605
Energy: 0.9315943282402875
Energy: 0.8311604795529779
Energy: 0.9197481175928653
Energy: 0.8140098136109563
Energy: 0.9328456823151234
Energy: 0.8140098136091211

minimum gb energy = 0.8126645795572934 eV
minimum distance =  2.30512976675558 Angstroms
sigma value = 113


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

Energy: 0.01501585086509739
Energy: 0.015389147894615665
Energy: 1.652090099336394
Energy: 0.015389147894615665
Energy: 0.01561988329936819
Energy: 0.8794503430923847
Energy: 0.015619883300034368
Energy: 0.8794503430923847
Energy: 1.365793818768425
Energy: 0.015389147894615665
Energy: 0.01501585086509739
Energy: 0.015389147894615665
Energy: 0.01561988329936819
Energy: 0.8794503430923847
Energy: 0.01561988329936819
Energy: 0.8794503430923847
Energy: 0.01501585086509739
Energy: 0.015389147894615665
Energy: 1.652090099336394
Energy: 0.015389147894615665
Energy: 0.01561988329936819
Energy: 0.8794503430923847
Energy: 0.01561988329936819
Energy: 0.8794503430923847

minimum gb energy = 0.01501585086509739 eV
minimum distance =  2.46562807978395 Angstroms
sigma value = 1