Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9173715934157367
cohesive_energy=5.770453839558936
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018953245619814655
Energy: 0.02030352217562738
Energy: 1.2798464230547701
Energy: 0.11365369854360911
Energy: 0.02030352217562738
Energy: 1.2142210227528931
Energy: 0.11365369854360911
Energy: 1.214221022741914
Energy: 1.2798464230537314
Energy: 0.11365369854360911
Energy: 0.018953245619814655
Energy: 0.02030352217562738
Energy: 0.11365369854257053
Energy: 1.2142210227460979
Energy: 0.02030352217562738
Energy: 1.2142210227492138

minimum gb energy = 0.018953245619814655 eV
minimum distance =  2.64828357005361 Angstroms
sigma value = 1


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

Energy: 2.1775814173191717
Energy: 1.402482980251019
Energy: 1.5183407762410543
Energy: 1.4807133982585132
Energy: 1.5637400008200268
Energy: 1.4044970631589069
Energy: 1.4801324119237762
Energy: 1.4044970631537246
Energy: 1.428763958422128
Energy: 1.434580421564929
Energy: 2.3754226909811234
Energy: 1.4345804215636335
Energy: 1.4578819801582188
Energy: 1.4052216102680282
Energy: 1.4761692190722362
Energy: 1.4052216102628459
Energy: 2.0110552840838354
Energy: 1.405365646014832
Energy: 1.4110303103210688
Energy: 1.4053656460135366
Energy: 1.4224161193238276
Energy: 1.3845972946713676
Energy: 1.3382849022998904
Energy: 1.38459729467072
Energy: 1.5327463329475408
Energy: 1.3874255379306235
Energy: 2.010152845672492
Energy: 1.3874255379306235
Energy: 1.347290416462789
Energy: 1.3621472742208505
Energy: 1.471689559703153
Energy: 1.3621472742208505
Energy: 1.72962691083008
Energy: 1.3641368746937823
Energy: 1.7677891834281814
Energy: 1.3641368746937823
Energy: 1.357654121014278
Energy: 1.693545915906889
Energy: 1.349355832666164
Energy: 1.693545915906889
Energy: 1.8425862082627802
Energy: 1.3631083873935246
Energy: 1.6991368735765877
Energy: 1.3631083873928769
Energy: 1.349177124676115
Energy: 1.6957373360065158
Energy: 1.3682606071536871
Energy: 1.695737336005868
Energy: 1.4469318453779525
Energy: 1.3881301687513767
Energy: 2.182090041582962
Energy: 1.3881301687507288
Energy: 1.5249335227906313
Energy: 1.381745894505906
Energy: 1.3561629371343746
Energy: 1.3817458945072016
Energy: 2.1802140360935063
Energy: 1.4057682009608439
Energy: 1.326220755661278
Energy: 1.4057682009621395
Energy: 1.3529464185129467
Energy: 1.404768589805226
Energy: 1.488152069604656
Energy: 1.4047685898071691
Energy: 1.5106594565843205
Energy: 1.4726805742246358
Energy: 2.5707752936818573
Energy: 1.4726805742233402
Energy: 1.4795890115262547
Energy: 1.4056211857295853
Energy: 1.559824689544032
Energy: 1.4056211857295853
Energy: 2.376802838363079
Energy: 1.4127160357866722
Energy: 1.5111927684746642
Energy: 1.4127160357873199
Energy: 1.6142371112607472
Energy: 1.4709320971184616
Energy: 1.438076871643717
Energy: 1.4709320971191093
Energy: 1.493409873152491
Energy: 1.3660505532564282
Energy: 2.0115223186201003
Energy: 1.3660505532557805
Energy: 1.3373532261186685
Energy: 1.385368377898489
Energy: 1.4226479166290888
Energy: 1.385368377901728
Energy: 2.0104782037187237
Energy: 1.388725775997223
Energy: 1.5989662071850437
Energy: 1.388725775996575
Energy: 1.4720906613069966
Energy: 1.420491258685541
Energy: 1.4206227970632999
Energy: 1.4204912586868363
Energy: 1.5382920820548365
Energy: 1.3634489035764157
Energy: 1.4771129698616137
Energy: 1.3634489035770634
Energy: 1.4109770847843055
Energy: 1.4742730512001987
Energy: 1.3596568531170459
Energy: 1.474273051199551
Energy: 1.6995562135107622
Energy: 1.364896850797132
Energy: 1.6368185216252429
Energy: 1.3648968507964843
Energy: 1.3657838961130686
Energy: 1.3600323162595234
Energy: 1.438196979182295
Energy: 1.3600323162588754
Energy: 1.796638166483374
Energy: 1.3916423990373856
Energy: 1.4460885437025244
Energy: 1.3916423990373856
Energy: 1.346545681177875
Energy: 1.3836628253904313
Energy: 1.4288655121439584
Energy: 1.3836628253897836
Energy: 1.3473899334810808
Energy: 1.4044402429351337
Energy: 1.3524123251797537
Energy: 1.4044402429344858
Energy: 1.4861957744019219
Energy: 1.4034718430903181
Energy: 1.3692395353808169
Energy: 1.4034718430909658
Energy: 2.0092726945218717
Energy: 1.469967442802616
Energy: 1.42856151855603
Energy: 1.4699674428032636

minimum gb energy = 1.326220755661278 eV
minimum distance =  2.52069906684977 Angstroms
sigma value = 1


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

Energy: 2.4572231122935304
Energy: 1.379773017330233
Energy: 1.605468664736911
Energy: 1.4842237125391662
Energy: 1.5899426910121235
Energy: 1.4655064653623187
Energy: 1.564154202430042
Energy: 1.4655064658547525
Energy: 1.502127164238026
Energy: 1.5336699220264802
Energy: 2.246584578754262
Energy: 1.5336699220272187
Energy: 1.5191257291510294
Energy: 1.460294671633635
Energy: 1.5605513190604972
Energy: 1.4602946716358507
Energy: 2.246531360482629
Energy: 1.4807518349740836
Energy: 1.4862051566589893
Energy: 1.4807518349755606
Energy: 1.4947581386910334
Energy: 1.459556089371444
Energy: 1.41023209471474
Energy: 1.4595560893751371
Energy: 1.6386541812488795
Energy: 1.458709681643584
Energy: 1.8551589318153634
Energy: 1.4587096816443224
Energy: 1.4155278413014505
Energy: 1.773616163841395
Energy: 1.4326994297347495
Energy: 1.7736161638391794
Energy: 1.8566387607150874
Energy: 1.4396484395426543
Energy: 1.7163191916099145
Energy: 1.43964843954487
Energy: 1.4278435103387639
Energy: 1.747397647475474
Energy: 1.4300225400442597
Energy: 1.7473976474747355
Energy: 2.0360686437813174
Energy: 1.46188289371127
Energy: 1.545295142620674
Energy: 1.4618828937090542
Energy: 1.4229516880678084
Energy: 1.4562271285015636
Energy: 1.4958282035073596
Energy: 1.4562271285008246
Energy: 1.3901729754991887
Energy: 1.459612594420289
Energy: 2.034027683870697
Energy: 1.4596125944210279
Energy: 1.5713911612986309
Energy: 1.4795946294173787
Energy: 1.4334347613866878
Energy: 1.479594629415163
Energy: 2.4601549626151638
Energy: 1.5531574924319507
Energy: 1.5942473874328178
Energy: 1.5531574924319507
Energy: 1.5513271839131104
Energy: 1.4614606608089071
Energy: 1.5638236480359866
Energy: 1.4614606608126002
Energy: 1.595353019280843
Energy: 1.535209785644121
Energy: 2.24851239486054
Energy: 1.5352097856448594
Energy: 1.5179959299652093
Energy: 1.4633350935818126
Energy: 1.6010054437017307
Energy: 1.4633350959464215
Energy: 2.2481575864711525
Energy: 1.4946649458270156
Energy: 1.5802896309521766
Energy: 1.4946649458262768
Energy: 1.4967263713637962
Energy: 1.4595391435897167
Energy: 1.4013419422727136
Energy: 1.4595391435919323
Energy: 1.711353167326957
Energy: 1.4591384801079559
Energy: 1.8558671844099877
Energy: 1.4591384801072171
Energy: 1.4576154274561728
Energy: 1.5038047355691588
Energy: 1.4335206916696124
Energy: 1.5038047355669433
Energy: 1.8568814754711265
Energy: 1.4388626920166212
Energy: 1.7844534563684082
Energy: 1.4388626920144056
Energy: 1.427687033014144
Energy: 1.5773190403938926
Energy: 1.4997949284621765
Energy: 1.5773190403975856
Energy: 1.7529939505322012
Energy: 1.4592741500497757
Energy: 1.5446006078883556
Energy: 1.4592741500497757
Energy: 1.4146772171115936
Energy: 1.4559115858107985
Energy: 1.496133466796134
Energy: 1.4559115858122755
Energy: 1.4210575910438392
Energy: 1.4584952141611083
Energy: 1.7741821762883128
Energy: 1.4584952141640628
Energy: 1.561226848437369
Energy: 1.4602366597467185
Energy: 1.433053141289503
Energy: 1.460236659749673
Energy: 1.983657297189791
Energy: 1.5125060035661197
Energy: 1.5005374689609723
Energy: 1.5125059941386378

minimum gb energy = 1.379773017330233 eV
minimum distance =  2.44161282650964 Angstroms
sigma value = 25


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

Energy: 2.481850020679559
Energy: 1.5715448730041892
Energy: 1.7277357600361212
Energy: 1.6447193591486151
Energy: 1.6973396481990788
Energy: 1.6232475912296793
Energy: 1.7167045897445332
Energy: 1.6232475912288207
Energy: 1.6454161319418315
Energy: 1.6478382917397687
Energy: 2.183941952304928
Energy: 1.6478382917406273
Energy: 1.5741038344643739
Energy: 1.5597881514153766
Energy: 1.6707308674574732
Energy: 1.5597881514153766
Energy: 2.185325771484162
Energy: 1.5514568995844737
Energy: 1.649688474879518
Energy: 1.551456899586191
Energy: 1.659102883108985
Energy: 1.8818323114425368
Energy: 1.5187648483145124
Energy: 1.8818323114425368
Energy: 1.7765397629266697
Energy: 1.56307109920296
Energy: 1.8048275430549736
Energy: 1.5630710992021015
Energy: 1.5507211428769896
Energy: 1.9916200181182004
Energy: 1.5836676820569282
Energy: 1.9916200181182004
Energy: 1.738770240899713
Energy: 1.5627951652345466
Energy: 1.961495707710522
Energy: 1.562795165235405
Energy: 1.5649305898897756
Energy: 1.568428406490026
Energy: 1.5231449379673891
Energy: 1.5684284064891674
Energy: 2.4898127360480675
Energy: 1.6099411310450114
Energy: 1.552077068705878
Energy: 1.60994113104587
Energy: 1.5752165315506925
Energy: 1.7215920984631126
Energy: 1.6589922701985498
Energy: 1.721592098462254
Energy: 1.658988440934491
Energy: 1.5601338005087133
Energy: 2.301439305911572
Energy: 1.5601338005078549
Energy: 1.616551881759452
Energy: 1.6633132834057225
Energy: 1.6342710100881808
Energy: 1.6633132834074398
Energy: 2.245031586064722
Energy: 1.6999265302854403
Energy: 1.7227961037406152
Energy: 1.6999265302845816
Energy: 1.7785261069710203
Energy: 1.7052596894924745
Energy: 1.6930918225392668
Energy: 1.7052596894941916
Energy: 1.746891870924289
Energy: 1.5362633347877575
Energy: 2.186614579788462
Energy: 1.5362633347877575
Energy: 1.528151383353387
Energy: 1.8527664860938933
Energy: 1.6236569428389633
Energy: 1.852766486094752
Energy: 1.8429473809957164
Energy: 1.5636574106429395
Energy: 1.7003051322901535
Energy: 1.5636574106429395
Energy: 1.526236410411553
Energy: 1.6597509927420406
Energy: 1.6359344808229126
Energy: 1.6597509927437577
Energy: 2.095831452676986
Energy: 1.5763508872948273
Energy: 1.7687595604031061
Energy: 1.5763508872948273
Energy: 1.5906587491877455
Energy: 1.5554482381522492
Energy: 1.6211921795606827
Energy: 1.555448238154825
Energy: 1.5323487353301732
Energy: 1.5639980366184716
Energy: 1.9874491250956827
Energy: 1.5639980366184716
Energy: 1.6717636415256176
Energy: 1.556080926788462
Energy: 1.6021461725501036
Energy: 1.556080926788462
Energy: 1.8912385521448376
Energy: 1.638791963506072
Energy: 1.602314142036392
Energy: 1.638791963506072

minimum gb energy = 1.5187648483145124 eV
minimum distance =  2.43170854368094 Angstroms
sigma value = 9


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

Energy: 2.056718999014089
Energy: 1.5876752306452804
Energy: 1.8343500339672334
Energy: 1.749058089463323
Energy: 1.7845820677312392
Energy: 1.683520235062531
Energy: 1.7467941976262717
Energy: 1.6835202350615068
Energy: 1.6448342422572875
Energy: 1.7138329527344036
Energy: 2.486255828079
Energy: 1.7138329527364518
Energy: 1.6155487141317415
Energy: 1.7171470171784298
Energy: 1.7470298497879817
Energy: 1.71714701717126
Energy: 1.8218601388367262
Energy: 1.6184025647458953
Energy: 1.6776822793300687
Energy: 1.6184025647448712
Energy: 1.6580953783276482
Energy: 1.6275554909368173
Energy: 1.6535859040470648
Energy: 1.6275554909347685
Energy: 1.5852802806927784
Energy: 1.6570575236657978
Energy: 1.8253010934137988
Energy: 1.6570575236668224
Energy: 1.5774069914667124
Energy: 1.8829386845540197
Energy: 1.6464151453348095
Energy: 1.8829386845529954
Energy: 1.5181219560966608
Energy: 1.618147534304635
Energy: 2.0642414943984835
Energy: 1.6181475343025864
Energy: 1.7502454524218294
Energy: 1.6151382741258127
Energy: 1.571193419583749
Energy: 1.6151382741278613
Energy: 2.0609249279601367
Energy: 1.699467043652808
Energy: 1.6444195276328097
Energy: 1.6994670436538326
Energy: 1.712331725257049
Energy: 1.6540364768899896
Energy: 1.8027385441434054
Energy: 1.6540364768889655
Energy: 1.6498398338525029
Energy: 1.714207296769263
Energy: 2.487670901304247
Energy: 1.7142072967702873
Energy: 1.677770089468967
Energy: 1.9630717283492243
Energy: 1.7121750249398768
Energy: 1.9630717283502488
Energy: 1.8225622260050323
Energy: 1.6183510903771952
Energy: 1.8109416439894048
Energy: 1.6183510903761709
Energy: 1.6534287217716206
Energy: 2.0090810964139574
Energy: 1.5483459942448716
Energy: 2.009081096411909
Energy: 1.775204240580382
Energy: 1.6627812756895326
Energy: 1.8249219807576729
Energy: 1.6627812756885083
Energy: 1.771146804364288
Energy: 1.7278335348931455
Energy: 1.6460065516347577
Energy: 1.7278335348931455
Energy: 1.516124504305487
Energy: 1.618623284069774
Energy: 1.8505080741887818
Energy: 1.6186232840718224
Energy: 1.7491474564558758
Energy: 1.6151965950418812
Energy: 1.5529094888337158
Energy: 1.615196595040857
Energy: 2.218734587841922
Energy: 1.6518661860866115
Energy: 1.6770445249516739
Energy: 1.65186618608866

minimum gb energy = 1.516124504305487 eV
minimum distance =  2.44788229720027 Angstroms
sigma value = 25


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

Energy: 1.6969975123643724
Energy: 1.65570704312807
Energy: 1.7486725670427068
Energy: 1.7470117792840998
Energy: 1.8678604588447358
Energy: 1.7170327904609528
Energy: 1.8389368206867012
Energy: 1.7170327904584195
Energy: 1.7104204360630222
Energy: 1.709404816526672
Energy: 2.1932046654428445
Energy: 1.709404816526672
Energy: 1.7071062791518468
Energy: 1.9269843888028237
Energy: 1.8389244255812869
Energy: 1.9269843888028237
Energy: 1.5765551527073243
Energy: 1.7240146308290307
Energy: 1.7415056605782084
Energy: 1.7240146308277642
Energy: 1.781872016317716
Energy: 1.9017031171463077
Energy: 1.7182408003514733
Energy: 1.9017031171475745
Energy: 1.7051299370678485
Energy: 1.7302549021151306
Energy: 1.5790487109834068
Energy: 1.7302549021151306
Energy: 1.7731288494613107
Energy: 1.6084341471482986
Energy: 1.6364701582552146
Energy: 1.6084341471482986
Energy: 1.75851162363769
Energy: 1.620347327959651
Energy: 2.27228081572216
Energy: 1.620347327959651
Energy: 1.9167047599140925
Energy: 1.6193448211327277
Energy: 1.777446213828906
Energy: 1.6193448211327277
Energy: 2.198296880338613
Energy: 1.7083232307415275
Energy: 1.714274490530392
Energy: 1.7083232307415275
Energy: 1.8752191446283046
Energy: 1.9904238055130503
Energy: 1.7070186761599901
Energy: 1.9904238055130503
Energy: 1.6482645799777456
Energy: 1.6372054594863057
Energy: 1.5778859378165015
Energy: 1.6372054594863057
Energy: 1.8077623620314287
Energy: 1.7398597496415862
Energy: 1.782671476642832
Energy: 1.7398597496428532
Energy: 1.5774023214744732
Energy: 1.7172387525230444
Energy: 1.9766228568257396
Energy: 1.7172387525230444
Energy: 1.6361668277571975
Energy: 1.6053068464365325
Energy: 1.9742052968846535
Energy: 1.6053068688540597
Energy: 1.7821217797165108
Energy: 1.6196007958977081
Energy: 1.7612754090592468
Energy: 1.6196007958989747

minimum gb energy = 1.5765551527073243 eV
minimum distance =  2.46066900745774 Angstroms
sigma value = 17


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

Energy: 2.5450491589817292
Energy: 1.7334218663337586
Energy: 1.9148874856488105
Energy: 1.9330994251621745
Energy: 1.9611710460552703
Energy: 2.05105866731952
Energy: 1.97213647678741
Energy: 2.0510586673188023
Energy: 1.5913875575540744
Energy: 1.593498648542092
Energy: 2.2640494511929568
Energy: 1.593498648545679
Energy: 1.6940037597706243
Energy: 1.904127182028591
Energy: 1.9180833813980662
Energy: 1.904127182028591
Energy: 1.7882393702007287
Energy: 1.8307060146205716
Energy: 1.5888325161292247
Energy: 1.8307060146205716
Energy: 1.904715669443266
Energy: 1.9601685777090547
Energy: 1.7970714953785554
Energy: 1.9601685777076197
Energy: 1.9857257599811324
Energy: 1.7137947274762404
Energy: 1.7195916329985725
Energy: 1.713794727475523
Energy: 1.9156020039594344
Energy: 1.6841194072228451
Energy: 1.8199939078404275
Energy: 1.6841194072235628
Energy: 1.9028923405443925
Energy: 1.9876909636438151
Energy: 2.322486693858958
Energy: 1.9876909636423805
Energy: 1.8768287020836676
Energy: 2.03068430098821
Energy: 1.9542001892939636
Energy: 2.03068430098821
Energy: 1.7860539403174265
Energy: 1.7004443356996275
Energy: 1.742731526336875
Energy: 1.7004443357010621
Energy: 1.922789589601319
Energy: 1.9725439693752622
Energy: 1.5636154556195923
Energy: 1.9725439693752622
Energy: 2.0776144240438676
Energy: 1.657272633008263
Energy: 1.5264379771704473
Energy: 1.6572726330089802
Energy: 1.9868752235711908
Energy: 1.902243333399615
Energy: 1.8032903066156118
Energy: 1.9022433334010496
Energy: 1.9026939461195604
Energy: 1.9608046648645736
Energy: 2.33037131740447
Energy: 1.9608046648645736
Energy: 2.0045815713436053
Energy: 1.9310643735660167
Energy: 2.3221809383973486
Energy: 1.931064373565299
Energy: 2.278591836312931
Energy: 1.9064717555233717
Energy: 1.8491424156881873
Energy: 1.9064717555255237
Energy: 2.220698198184415
Energy: 1.7014602634155194
Energy: 1.5914669552262726
Energy: 1.7014602634162366
Energy: 1.903199687257011
Energy: 1.8754336799377953
Energy: 1.9028541322602242
Energy: 1.875433679937078
Energy: 1.5873551459274091
Energy: 1.8642994458384474
Energy: 1.9395378063897486
Energy: 1.8642994458398825
Energy: 1.6355949586862923
Energy: 2.1796993309166255
Energy: 1.9118452545452265
Energy: 2.1796993309166255
Energy: 1.7199055246476747
Energy: 1.593361733839337
Energy: 1.9787344829971376
Energy: 1.5933617338379022
Energy: 1.9223996355824853
Energy: 2.0103106222431046
Energy: 1.977240386854298
Energy: 2.010310622243822
Energy: 2.2648357172125295
Energy: 1.9870526379015354
Energy: 1.8905667862098108
Energy: 1.9870526379015354
Energy: 1.8067940261816011
Energy: 2.05695500525155
Energy: 1.8005819788072175
Energy: 2.0569550052501153
Energy: 1.6532829638947242
Energy: 1.6394110716030992
Energy: 1.7922478141710323
Energy: 1.6394110716030992
Energy: 1.8136869433594311
Energy: 2.0757530741116144
Energy: 1.9417467032197866
Energy: 2.0757530741116144
Energy: 1.5321935620387468
Energy: 1.6724956659974728
Energy: 1.9832291644172504
Energy: 1.6724956659981902
Energy: 1.9804461476062913
Energy: 1.922997249781247
Energy: 1.8138446656126743
Energy: 1.9229972497805294
Energy: 2.546816651509617
Energy: 1.932520473639566
Energy: 1.8993418912374842
Energy: 1.932520473641653

minimum gb energy = 1.5264379771704473 eV
minimum distance =  2.50578689226993 Angstroms
sigma value = 53


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

Energy: 2.2256463438773726
Energy: 1.8657986644118654
Energy: 1.7062672416485078
Energy: 1.9747345378257866
Energy: 1.993156145365338
Energy: 1.7106927968872834
Energy: 2.042719279496766
Energy: 1.7106927968014416
Energy: 1.7060965023172279
Energy: 1.9749642772553235
Energy: 1.7762899686239058
Energy: 1.9749642772553235
Energy: 1.8375755018655724
Energy: 2.0913714702322728
Energy: 2.0415205247440738
Energy: 2.0913714702339243
Energy: 1.7828204392404738
Energy: 1.4109414656305568
Energy: 1.328067146191876
Energy: 1.4109414656305568
Energy: 1.650615645197753
Energy: 1.6367672694853772
Energy: 1.4727362516540472
Energy: 1.6367672694853772
Energy: 2.2349117746809983
Energy: 1.7279724344419507
Energy: 1.7260240932268198
Energy: 1.7279724344419507
Energy: 1.964472699576717
Energy: 2.197912530788835
Energy: 2.0542150738905836
Energy: 2.197912530787183
Energy: 1.7338839580504122
Energy: 1.972618462864111
Energy: 1.779101222897568
Energy: 1.9726184628657628
Energy: 1.6752795237650662
Energy: 1.7114915295008364
Energy: 2.0410468165129365
Energy: 1.7114915295008364
Energy: 1.7804821094145535
Energy: 1.6368053343518787
Energy: 1.4746407329348792
Energy: 1.6368053343535303
Energy: 1.7165957904208982
Energy: 1.6368627560210915
Energy: 1.3323521293696898
Energy: 1.6368627560227431
Energy: 2.042761320720023
Energy: 1.8378899774024966
Energy: 1.730392873442073
Energy: 1.8378899774024966

minimum gb energy = 1.328067146191876 eV
minimum distance =  2.47736763730919 Angstroms
sigma value = 9


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

Energy: 2.121292506476549
Energy: 1.9997100664648657
Energy: 2.0465925743682933
Energy: 2.0700509772678064
Energy: 1.9858726443515573
Energy: 2.099438530989592
Energy: 2.1186540540672416
Energy: 2.099438530989592
Energy: 1.561011833256331
Energy: 1.9261658414900156
Energy: 1.9507671386448828
Energy: 1.926165841488793
Energy: 1.688453094406782
Energy: 1.9944422931456982
Energy: 2.112727579295017
Energy: 1.994442293145087
Energy: 1.5605525442816321
Energy: 1.5909224712893724
Energy: 2.2101419668701108
Energy: 1.59092247128815
Energy: 1.6916436631783094
Energy: 1.8728592161426534
Energy: 2.1280741067029303
Energy: 1.8728592161408195
Energy: 2.366126035590707
Energy: 2.127911878375964
Energy: 2.0446549276283914
Energy: 2.127911878373519
Energy: 2.353545772135714
Energy: 2.16686333213076
Energy: 2.012344199742475
Energy: 2.16686333213076
Energy: 1.7854489219570575
Energy: 1.9484023615187527
Energy: 1.6745903722088906
Energy: 1.9484023615175303
Energy: 1.4742798650040523
Energy: 1.91505023331823
Energy: 2.0517693046609367
Energy: 1.9150502333194526
Energy: 1.7478249645015798
Energy: 1.9199673148446585
Energy: 2.2641800504733727
Energy: 1.9199673148458811
Energy: 1.8103636050363463
Energy: 1.9614285086133711
Energy: 2.1276132048131755
Energy: 1.9614285086133711
Energy: 2.345674352894301
Energy: 2.1791393304096176
Energy: 1.9620766272921526
Energy: 2.17913933041084
Energy: 2.3702840325476884
Energy: 1.907671735789518
Energy: 1.763267288798052
Energy: 1.9076717357907407
Energy: 2.050678280038233
Energy: 2.113451501920316
Energy: 1.8537113238617113
Energy: 2.1134515019190934
Energy: 1.778783041734271
Energy: 1.8747605388188269
Energy: 1.637253526813454
Energy: 1.8747605388200497
Energy: 1.9844660398428398
Energy: 2.0015615370142408
Energy: 2.1037431349997173
Energy: 2.0015615370142408
Energy: 2.00022724789078
Energy: 2.0828576549275644
Energy: 2.122516874365118
Energy: 2.0828576549269533
Energy: 2.0863149131409022
Energy: 2.1287032790707467
Energy: 1.9859090291972574
Energy: 2.128703279071358
Energy: 1.9495501207227672
Energy: 1.9191634009429006
Energy: 1.5525287385396784
Energy: 1.9191634009422893
Energy: 2.1724885754552874
Energy: 1.9236859856912374
Energy: 1.593781328655542
Energy: 1.9236859856887925
Energy: 2.207348641138708
Energy: 1.6417351800739826
Energy: 1.5594532285463065
Energy: 1.6417351800739826
Energy: 2.135534600376177
Energy: 1.858830491385501
Energy: 1.7084059066576036
Energy: 1.8588304913836673
Energy: 2.0429084021903225
Energy: 2.0205031011258727
Energy: 2.3707001508571506
Energy: 2.020503101141154
Energy: 2.007701429720847
Energy: 2.165947736172251
Energy: 2.382717830781622
Energy: 2.16594773617164
Energy: 1.6757966472529227
Energy: 1.9517753947305754
Energy: 1.7824923457556425
Energy: 1.951775394729964
Energy: 2.016032132919268
Energy: 1.6988299849030233
Energy: 1.4725869423347038
Energy: 1.6988299849158592
Energy: 2.1838735231761657
Energy: 1.988498145509437
Energy: 1.7084895008968464
Energy: 1.9884981455100483
Energy: 2.1243139866191303
Energy: 2.0451854414954234
Energy: 1.8326199292667478
Energy: 2.04518544149659
Energy: 1.9630840816519115
Energy: 2.137450955474952
Energy: 2.378702661017044
Energy: 2.137450955474952
Energy: 1.759027718947368
Energy: 1.9082568879000894
Energy: 1.9553808693303745
Energy: 1.9082568879000894
Energy: 1.7652694925641153
Energy: 1.973404641781159
Energy: 2.0539876601348417
Energy: 1.973404641783604
Energy: 1.636822410875198
Energy: 1.8948873076187387
Energy: 1.7830789150197275
Energy: 1.8948873076193502
Energy: 2.1207409821938152
Energy: 2.0025345362123215
Energy: 1.909627687778669
Energy: 2.0025345362123215
Energy: 2.1252523493741475
Energy: 2.0121426577964874
Energy: 1.9996107948551618
Energy: 2.0121426577964874

minimum gb energy = 1.4725869423347038 eV
minimum distance =  2.46538440666975 Angstroms
sigma value = 73


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

Energy: 2.170231970691567
Energy: 1.8860595731334697
Energy: 1.9234394784152649
Energy: 1.9915903510058395
Energy: 1.924308156133777
Energy: 2.12683648241395
Energy: 2.219372886639903
Energy: 2.12683648241589
Energy: 1.7322471311482932
Energy: 2.079240573761357
Energy: 1.8634898784283058
Energy: 2.079240573762327
Energy: 1.6831440775803934
Energy: 1.8474378794267536
Energy: 2.0729144225540725
Energy: 1.8474378794267536
Energy: 1.6211107876667268
Energy: 1.971882554512152
Energy: 2.3631195623551435
Energy: 1.971882554512152
Energy: 1.9246218823865426
Energy: 2.007116053909314
Energy: 2.088385007452143
Energy: 2.007116053909314
Energy: 2.5574567362627056
Energy: 2.1525412453047537
Energy: 1.9982441249961629
Energy: 2.1525412453037838
Energy: 2.225729996846092
Energy: 1.9834931934144777
Energy: 1.9481306595026022
Energy: 1.9834931934144777
Energy: 2.0760745919829904
Energy: 1.846023054123039
Energy: 1.922687363716152
Energy: 1.846023054123039
Energy: 1.610130600651047
Energy: 1.9397916523295349
Energy: 1.9696526006710826
Energy: 1.9397916523295349
Energy: 1.7483128380011201
Energy: 1.962800299273775
Energy: 1.9957226789831368
Energy: 1.962800299273775
Energy: 1.8490612226477712
Energy: 1.8084194827038578
Energy: 1.990057886637787
Energy: 1.808419482708707
Energy: 1.9116889407314548
Energy: 2.020505025078296
Energy: 1.8997761521821026
Energy: 2.020505025078296
Energy: 1.8612203907005025
Energy: 1.9137120785719548
Energy: 1.7873566809504209
Energy: 1.9137120785719548
Energy: 2.0693894884322654
Energy: 1.985427667784317
Energy: 1.6908949270996776
Energy: 1.985427667784317
Energy: 2.1792476004819155
Energy: 1.9547954849555063
Energy: 1.6697861501180822
Energy: 1.9547954849555063
Energy: 2.1787080083705748
Energy: 2.0688214663778277
Energy: 1.963769580271635
Energy: 2.0688214663768583
Energy: 1.982016227240255
Energy: 2.0919683716473245
Energy: 2.5505347042294852
Energy: 2.091968371648294
Energy: 1.9443674519922476
Energy: 2.0231849093736938
Energy: 2.1195515708485044
Energy: 2.0231849093746637
Energy: 1.7594828520139643
Energy: 1.8460514971836668
Energy: 2.034251579908684
Energy: 1.8460514971836668
Energy: 2.009861121515797
Energy: 1.9826197606045597
Energy: 1.6845709575697805
Energy: 1.9826197606045597
Energy: 2.1740623924530493
Energy: 2.075195492043157
Energy: 1.9063646188392906
Energy: 2.075195492043157

minimum gb energy = 1.610130600651047 eV
minimum distance =  2.45059564495325 Angstroms
sigma value = 7


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

Energy: 2.39331655883748
Energy: 1.8750558870589351
Energy: 1.9475383918461684
Energy: 1.9629055229952472
Energy: 2.147732196296893
Energy: 2.1098899459613625
Energy: 2.0132791571774646
Energy: 2.109889945959305
Energy: 1.6530193601531045
Energy: 1.898026146338622
Energy: 1.6936306852598935
Energy: 1.898026146339994
Energy: 1.6203143271928102
Energy: 1.8823528456485032
Energy: 1.948684939672057
Energy: 1.8823528456485032
Energy: 1.747135815410233
Energy: 1.9574714424435027
Energy: 1.880523827119679
Energy: 1.9574714424455597
Energy: 1.8858053347951103
Energy: 1.9959080932458033
Energy: 1.8828598780521921
Energy: 1.9959080932430602
Energy: 2.139007721966493
Energy: 2.08794580229729
Energy: 1.8991386755992716
Energy: 2.0879458022986617
Energy: 2.122137586301044
Energy: 1.9188240491240927
Energy: 1.763513433934467
Energy: 1.9188240491213495
Energy: 1.9474251571853207
Energy: 1.9081874778952108
Energy: 1.5757692053989902
Energy: 1.9081874778952108
Energy: 1.8694937392702344
Energy: 1.944861031146079
Energy: 1.8461581995602028
Energy: 1.9448610311440215
Energy: 2.073516697918942
Energy: 2.147461156044368
Energy: 2.1089305694716125
Energy: 2.147461156044368
Energy: 1.9275715949651666
Energy: 2.1110367438515665
Energy: 2.1340850138176672
Energy: 2.1110367438474524
Energy: 1.7666552720535493
Energy: 1.932625718073574
Energy: 1.88681543168137
Energy: 1.9326257180749453
Energy: 1.700818573714504
Energy: 1.8965541142393028
Energy: 1.5718856827621215
Energy: 1.8965541142406743
Energy: 1.9884999259967837
Energy: 1.8627882964520872
Energy: 1.6062487913486962
Energy: 1.8627882964795173
Energy: 2.3986501032030647
Energy: 1.9975690459424322
Energy: 1.9260333198683417
Energy: 1.997569045940375
Energy: 2.3712544777466835
Energy: 2.1107058154823544
Energy: 2.0368158387789923
Energy: 2.1107058154789877
Energy: 1.8545288994224192
Energy: 1.8926264591291835
Energy: 1.6916998315284912
Energy: 1.8926264591326123
Energy: 1.5718365119341071
Energy: 1.8204765537444108
Energy: 1.9492725654545973
Energy: 1.8204765537437253
Energy: 1.724841636330736
Energy: 1.9109935242597489
Energy: 2.1695520672986963
Energy: 1.9109935242597489
Energy: 1.851993787520201
Energy: 2.071327453735127
Energy: 1.8749965992397424
Energy: 2.071327453730327
Energy: 2.1092960999049915
Energy: 1.9967437680231597
Energy: 1.8868537550898516
Energy: 1.996743768025217
Energy: 2.0994382175261155
Energy: 1.8440021222422143
Energy: 1.7627462067241135
Energy: 1.8440021222422143
Energy: 1.9523604899124058
Energy: 1.8992171144203667
Energy: 1.621959880054827
Energy: 1.8992171144189953
Energy: 1.8715630491501791
Energy: 1.930410847057913
Energy: 1.7583615004540025
Energy: 1.9304108470620276
Energy: 1.9709918336655345
Energy: 2.106111194382682
Energy: 2.0432219933015126
Energy: 2.1061111943806243
Energy: 1.9276498564437965
Energy: 2.0404723842647234
Energy: 2.127889301980578
Energy: 2.0404723842640378
Energy: 1.885204699521123
Energy: 1.9410671007366274
Energy: 2.200068712856551
Energy: 1.9410671007373133
Energy: 1.6956721348387989
Energy: 1.8744149536879424
Energy: 1.8810461854892306
Energy: 1.8744149536879424
Energy: 1.9947837769548267
Energy: 1.939283335579415
Energy: 1.5708096688100315
Energy: 1.9392833355814723
Energy: 2.3424186962442963
Energy: 2.069612072956344
Energy: 1.9468424565707576
Energy: 2.0696120729570295

minimum gb energy = 1.5708096688100315 eV
minimum distance =  2.44732090457395 Angstroms
sigma value = 29


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

Energy: 1.346169581686763
Energy: 1.347453067451278
Energy: 1.6380585836288593
Energy: 1.6975244104602534
Energy: 1.6682912801240855
Energy: 1.8793521786648206
Energy: 1.3737813720011653
Energy: 1.8793521786648206
Energy: 1.6238241143210905
Energy: 1.7754709450686197
Energy: 1.639227154899383
Energy: 1.7754709450686197
Energy: 1.6465562702853016
Energy: 1.3744076705589485
Energy: 1.3696475762129403
Energy: 1.3744076705589485
Energy: 1.6599726148829077
Energy: 1.6248091702322374
Energy: 1.3474484007033032
Energy: 1.6248091702322374
Energy: 1.666525486978644
Energy: 1.7293847106985363
Energy: 1.3474652923953756
Energy: 1.7293847107008717
Energy: 1.3600612462486068
Energy: 1.7762895524575568
Energy: 1.9588634841433332
Energy: 1.7762895524575568
Energy: 1.4749707158318615
Energy: 1.6262833517151793
Energy: 1.6457594892679763
Energy: 1.6262833517128439
Energy: 1.6697569351460024
Energy: 1.6228939359676884
Energy: 1.73712079502799
Energy: 1.6228939359676884

minimum gb energy = 1.346169581686763 eV
minimum distance =  2.50437278590421 Angstroms
sigma value = 5


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

Energy: 1.8452121112856574
Energy: 2.088674948521987
Energy: 1.9585900789920612
Energy: 2.1196812796949973
Energy: 2.133934589688338
Energy: 1.7534073755329085
Energy: 1.7291026066920823
Energy: 1.7534073755329085
Energy: 1.6645008588107932
Energy: 1.892196177622386
Energy: 1.6369586641045164
Energy: 1.892196177622386
Energy: 1.4164524284950968
Energy: 1.6173090068803093
Energy: 1.8845957805331546
Energy: 1.617309006880957
Energy: 2.1172918959684446
Energy: 2.02913615658791
Energy: 2.116304928744357
Energy: 2.02913615658791
Energy: 1.8968992484968141
Energy: 1.7671209733206918
Energy: 2.1258980821473643
Energy: 1.7671209733181006
Energy: 1.3911503704481474
Energy: 1.3913211783401263
Energy: 1.8991311384228284
Energy: 1.3913211783394783
Energy: 1.4075142821265485
Energy: 1.975818127387402
Energy: 1.8525418180040463
Energy: 1.975818127387402
Energy: 2.06135015592001
Energy: 1.9138771491341584
Energy: 1.9776563787575963
Energy: 1.9138771491341584
Energy: 1.6280939643904064
Energy: 2.0619076200109894
Energy: 1.6998730289089539
Energy: 2.0619076200103414
Energy: 1.9634563434431875
Energy: 1.5428795589331303
Energy: 1.3721743417764074
Energy: 1.5428795589331303
Energy: 2.0144258900378116
Energy: 1.7180250057322572
Energy: 1.621099685040402
Energy: 1.7180250057316093
Energy: 1.8573637748867713
Energy: 2.072332174232462
Energy: 2.0304346024832087
Energy: 2.072332174232462
Energy: 1.8893387349866786
Energy: 1.9043391936086769
Energy: 1.6372530258176043
Energy: 1.9043391936086769
Energy: 1.4646743225494363
Energy: 1.8945362040793199
Energy: 1.7329941356338636
Energy: 1.8945362040799678
Energy: 1.4007205159305463
Energy: 1.5849252418039856
Energy: 2.0712222163246885
Energy: 1.5849252418052813
Energy: 1.9446000815785376
Energy: 2.039131424047899
Energy: 2.3411135104082557
Energy: 2.0391314240466034
Energy: 1.7321872644466492
Energy: 1.753339964595309
Energy: 1.94729440808873
Energy: 1.753339964595309
Energy: 1.63243234693467
Energy: 1.8925425268686003
Energy: 1.6638425174662759
Energy: 1.8925425268679525
Energy: 1.8818692469638123
Energy: 1.7716183890625499
Energy: 1.4111463234253163
Energy: 1.7716183890696753
Energy: 2.198318309586582
Energy: 1.9740984182977965
Energy: 2.1208167574201124
Energy: 1.9740984183003876
Energy: 2.1015096254466
Energy: 2.0947827702906507
Energy: 1.8981406702416996
Energy: 2.0947827702912982
Energy: 1.914080073123638
Energy: 1.3912726448052457
Energy: 1.3934121363840306
Energy: 1.3912726448020067
Energy: 1.855033988908587
Energy: 1.8499664687355737
Energy: 1.4760160146889367
Energy: 1.8499664687355737
Energy: 1.8856965545327684
Energy: 1.9137606146602035
Energy: 2.090477823913202
Energy: 1.913760614658908
Energy: 1.69613610923388
Energy: 2.0685913710839463
Energy: 1.628294350558206
Energy: 2.068591371083299
Energy: 1.3906997790256377
Energy: 1.7091042979819513
Energy: 1.9538203818302804
Energy: 1.709104297983247
Energy: 1.3966477724395763
Energy: 1.5415354911974586
Energy: 2.190608302131429
Energy: 1.5415354911974586
Energy: 1.8589789092951725
Energy: 2.062170097866647
Energy: 1.8510770083650658
Energy: 2.062170097865999
Energy: 1.6605534890780538
Energy: 1.8835800689773015
Energy: 1.895179153702727
Energy: 1.8835800689766538
Energy: 1.661684929112419
Energy: 1.91945818209749
Energy: 1.4698826764607902
Energy: 1.91945818209749
Energy: 2.0713824529548686
Energy: 1.3917384358130707
Energy: 1.3960908857938454
Energy: 1.3917384358137184
Energy: 2.346030637991985
Energy: 2.013077396490745
Energy: 1.9213278529985571
Energy: 2.0130773964920405

minimum gb energy = 1.3721743417764074 eV
minimum distance =  2.42534194639547 Angstroms
sigma value = 1


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

Energy: 1.9522446579626502
Energy: 2.058456320488263
Energy: 1.8155685573195972
Energy: 2.109534648429993
Energy: 2.2662879800336198
Energy: 1.5940248847904976
Energy: 1.6755566234169657
Energy: 1.5940248847896021
Energy: 1.6765773586688435
Energy: 1.8373721464620851
Energy: 1.6599784629523935
Energy: 1.837372146460294
Energy: 1.3535101447247142
Energy: 1.5930837133591669
Energy: 1.984811028347893
Energy: 1.5930837133609583
Energy: 2.082292973112251
Energy: 1.6146806501188442
Energy: 2.300268196523095
Energy: 1.6146806501188442
Energy: 1.7691190739598939
Energy: 1.9169975032373976
Energy: 2.301067010594107
Energy: 1.9169975032373976
Energy: 1.3237302914832159
Energy: 1.462418201184962
Energy: 1.9386886343372205
Energy: 1.462418201184962
Energy: 1.3252398022194225
Energy: 1.5730464667547053
Energy: 1.9604785396946598
Energy: 1.573046467182629
Energy: 2.148129237854143
Energy: 1.8644763881540123
Energy: 2.0116397923948535
Energy: 1.8644763881566992
Energy: 1.6519782517466322
Energy: 1.9565054560334634
Energy: 1.327641882448993
Energy: 1.9565054560325679
Energy: 2.1534675192656443
Energy: 1.6037434954626322
Energy: 1.3246289214935885
Energy: 1.6037434954617362
Energy: 2.1084505496943757
Energy: 1.3257602386417455
Energy: 1.5366893648589803
Energy: 1.325760238639954
Energy: 1.9589698908488589
Energy: 1.714615013403907
Energy: 2.0452430476364944
Energy: 1.714615013406594
Energy: 1.7392853034323854
Energy: 1.5935316099037313
Energy: 1.67783652715434
Energy: 1.5935316099037313
Energy: 1.3577780861700766
Energy: 1.8848838498957168
Energy: 1.6835988318411044
Energy: 1.8848838498939255
Energy: 1.3481059391787966
Energy: 1.6649726154344349
Energy: 1.9363121430629135
Energy: 1.6649726154335394
Energy: 1.86595724567694
Energy: 2.111080744746494
Energy: 2.3001404866852955
Energy: 2.1110807447447026
Energy: 1.5160796346805885
Energy: 1.3262865308363334
Energy: 2.1827290479881563
Energy: 1.3262865308363334
Energy: 1.3311326836477084
Energy: 1.8750020492554635
Energy: 2.0670980960209033
Energy: 1.8750020492554635
Energy: 1.3251145072411459
Energy: 2.004563059876251
Energy: 1.9590545290885268
Energy: 2.0045630598744597
Energy: 1.6785726739758076
Energy: 2.005581137138386
Energy: 1.9934430232421931
Energy: 2.0055811371392815
Energy: 1.65105567848575
Energy: 1.9962609757183971
Energy: 1.32991547678531
Energy: 1.9962609757201886
Energy: 1.991661422491803
Energy: 1.324519970634871
Energy: 1.3264835227363427
Energy: 1.3245199706339752
Energy: 1.9612346496787578
Energy: 1.7194805960578545
Energy: 1.8017666810727744
Energy: 1.7194805960578545

minimum gb energy = 1.3237302914832159 eV
minimum distance =  2.43184412032928 Angstroms
sigma value = 17


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

Energy: 2.076331955097536
Energy: 2.167085937834579
Energy: 1.9464570000529213
Energy: 2.174232803229207
Energy: 2.226447196253742
Energy: 1.4968887262081916
Energy: 1.5480463016349246
Energy: 1.49688872620487
Energy: 1.7524540218754971
Energy: 1.8258693171581626
Energy: 1.5131718838440888
Energy: 1.8258693171581626
Energy: 1.6930292257369877
Energy: 1.7580165418803047
Energy: 1.9315628966335157
Energy: 1.7580165418798013
Energy: 2.118573319364405
Energy: 1.8701649243677845
Energy: 1.9314267700170167
Energy: 1.8701649243688918
Energy: 1.5373531011231436
Energy: 1.6998080053453122
Energy: 2.179207672200804
Energy: 1.699808005347023
Energy: 1.2947807449673174
Energy: 1.2928047044075548
Energy: 2.183037948498296
Energy: 1.2928047044064475
Energy: 1.5704437387367518
Energy: 1.4078916101586914
Energy: 2.078786314014546
Energy: 1.407891607491587
Energy: 1.9696751893409925
Energy: 1.7638547158951714
Energy: 2.273686715881116
Energy: 1.7638547158935611
Energy: 1.5043684987693575
Energy: 1.8595737202295342
Energy: 1.5571190287434353
Energy: 1.8595737202279234
Energy: 1.9601747719664744
Energy: 1.5882588264906823
Energy: 1.3214629274468386
Energy: 1.588258826680514
Energy: 2.316864058464148
Energy: 1.6197759341873397
Energy: 2.0797259037553264
Energy: 1.6197759338039521
Energy: 2.293837944839733
Energy: 1.610532313955704
Energy: 1.9183657410878614
Energy: 1.6105323139617431
Energy: 2.068914098420852
Energy: 1.3089943000650155
Energy: 1.3132007547605236
Energy: 1.3089943000650155
Energy: 1.6970783671273517
Energy: 1.961699606781206
Energy: 1.3213939570284718
Energy: 1.961699606781206
Energy: 2.0478095554057543
Energy: 1.8802955166837165
Energy: 2.205064478231848
Energy: 1.8802955166837165
Energy: 1.3262836754881122
Energy: 2.0385838405781347
Energy: 1.8813710267042076
Energy: 2.0385838405781347
Energy: 1.3280754504180803
Energy: 1.5614620397064207
Energy: 2.1596014191330197
Energy: 1.561462039707528
Energy: 1.3845568167319104
Energy: 1.3106434512788518
Energy: 2.2887963653094676
Energy: 1.3106434512788518
Energy: 1.9880614985804559
Energy: 2.01011700925633
Energy: 2.0747237698658862
Energy: 2.0101170092480762
Energy: 1.5460878286588076
Energy: 1.498362936567926
Energy: 2.1001847531538855
Energy: 1.4983629365695363
Energy: 1.5425930695415428
Energy: 1.8254043965151852
Energy: 1.7479335326147125
Energy: 1.825404396516292
Energy: 1.9369471651182126
Energy: 1.7595548920021133
Energy: 1.7442005175284843
Energy: 1.7595548920021133
Energy: 1.8892566115096827
Energy: 2.080838097627867
Energy: 2.0157841563744316
Energy: 2.080838097627313
Energy: 2.1626637663010144
Energy: 1.69731757342889
Energy: 1.4204943384119806
Energy: 1.6973175734283863
Energy: 2.2136041898900363
Energy: 1.2919371490571185
Energy: 1.2982722265167184
Energy: 1.2919371490615472
Energy: 2.0742171798204945
Energy: 2.0952352041169426
Energy: 1.4654947111687509
Energy: 2.0952352041169426
Energy: 2.2785117640090813
Energy: 1.7582479063167566
Energy: 1.9689515563041482
Energy: 1.7582479063161527
Energy: 1.553182747433117
Energy: 1.8587132604171221
Energy: 1.5082165499114302
Energy: 1.8587132604171221
Energy: 1.3236544971034199
Energy: 1.4986390811726231
Energy: 1.9626488779916034
Energy: 1.4986390811721197
Energy: 2.048170112863335
Energy: 1.9126666952533602
Energy: 2.2605991120588826
Energy: 1.9126666952549705
Energy: 1.8723086378942007
Energy: 1.4311625737111884
Energy: 2.2973918766607353
Energy: 1.4311625737172275
Energy: 1.3093535310229028
Energy: 1.3085877157781995
Energy: 2.064681102815302
Energy: 1.3085877157759853
Energy: 1.3323908521656767
Energy: 1.9649489448763604
Energy: 1.6921669061493754
Energy: 1.964948944875857
Energy: 2.2264636365725043
Energy: 1.8775455538330368
Energy: 2.044939032508246
Energy: 1.877545553834144
Energy: 1.880488580057357
Energy: 2.0071399090331097
Energy: 1.335606677756879
Energy: 2.0071399090325057
Energy: 2.1616750710373047
Energy: 1.5199359785485989
Energy: 1.3101400754339894
Energy: 1.519935978531991
Energy: 2.2734086850562902
Energy: 1.3108804494735204
Energy: 1.5686278836368766
Energy: 1.3108804494746278

minimum gb energy = 1.2919371490571185 eV
minimum distance =  2.4677509282014 Angstroms
sigma value = 89


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

Energy: 2.459282273374897
Energy: 1.820032950471415
Energy: 1.7364808743874465
Energy: 1.395358729782072
Energy: 2.2230982225514895
Energy: 1.7527527963908278
Energy: 1.8827630020910058
Energy: 1.7527527963908278
Energy: 1.4691293230711329
Energy: 1.8208593769110657
Energy: 1.7816290244107675
Energy: 1.8208593769110657
Energy: 1.4166484716335708
Energy: 1.6230071126161585
Energy: 2.147318086144054
Energy: 1.6230071126161585
Energy: 2.0201251680797494
Energy: 1.8898666554508745
Energy: 1.906613269764491
Energy: 1.8898666554523231
Energy: 1.9469528272392829
Energy: 1.8456851605353652
Energy: 1.883669688991859
Energy: 1.8456851605353652
Energy: 1.4056441642662654
Energy: 1.4348488103888526
Energy: 2.1641998225354047
Energy: 1.4348488103888526
Energy: 1.4030831399712285
Energy: 1.762377461755681
Energy: 2.1619806897129994
Energy: 1.7623774617542325
Energy: 1.8746260146905822
Energy: 1.7284903895153259
Energy: 2.1049076106390365
Energy: 1.7284903895153259
Energy: 1.9192060821442605
Energy: 1.797948176016606
Energy: 1.7097414704578457
Energy: 1.7979481760180547
Energy: 2.0957262618019845
Energy: 1.6303688584580214
Energy: 1.4132798359295715
Energy: 1.6303688478091474
Energy: 1.9214531472738923
Energy: 1.83670614935634
Energy: 2.1027081213686656
Energy: 1.8367061493577883
Energy: 1.9142871005497097
Energy: 1.8793982050945472
Energy: 1.6583741372043814
Energy: 1.8793982050945472
Energy: 2.144952980015946
Energy: 1.289214168225954
Energy: 1.2882579878164382
Energy: 1.289214168225954
Energy: 2.2610189694687732
Energy: 1.7419980484382735
Energy: 1.3932579708036539
Energy: 1.7419980484382735

minimum gb energy = 1.2882579878164382 eV
minimum distance =  2.46794348884312 Angstroms
sigma value = 13


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

Energy: 1.8842207324741171
Energy: 1.4120065021055208
Energy: 2.0042138930625604
Energy: 1.3784288896686683
Energy: 2.1165280017531383
Energy: 1.3562950209562386
Energy: 1.3763210177721827
Energy: 1.356295020575745
Energy: 1.9246152102817744
Energy: 1.6133935659923955
Energy: 1.3215985235311527
Energy: 1.6133935659942167
Energy: 1.4698415928794766
Energy: 1.8269210113024448
Energy: 1.3708466907751067
Energy: 1.8269210113024448
Energy: 1.9556110364098145
Energy: 1.7750935150750238
Energy: 1.7593889015222304
Energy: 1.7750935150719882
Energy: 1.3742314910173457
Energy: 1.6347021450913874
Energy: 1.7531867495896276
Energy: 1.634702145087745
Energy: 1.3697900631319173
Energy: 1.364347062590992
Energy: 2.095501513181963
Energy: 1.3643470625928134
Energy: 1.8832437538183588
Energy: 1.2833621094971432
Energy: 2.147866369521141
Energy: 1.2833621094928938
Energy: 1.2860327050366653
Energy: 1.2716365706103236
Energy: 2.151511070040611
Energy: 1.2716365706163946
Energy: 1.164706226869736
Energy: 1.1602853846899883
Energy: 2.0631273730314463
Energy: 1.1602853846912027
Energy: 1.5319940753953172
Energy: 1.2563354536962055
Energy: 1.8840528521539044
Energy: 1.256335453698027
Energy: 1.754972250675214
Energy: 1.6688230957766652
Energy: 2.110188449428459
Energy: 1.6688230957803079
Energy: 1.7664498396017638
Energy: 1.725643330909848
Energy: 1.7642241996999883
Energy: 1.72564333090742
Energy: 1.9619142440248285
Energy: 1.6657359220066799
Energy: 1.47089823098613
Energy: 1.6657359220109298
Energy: 2.1147022360922216
Energy: 1.745098446043797
Energy: 1.625251836000674
Energy: 1.7450984460462255
Energy: 2.020802145788594
Energy: 1.2612551841918431
Energy: 1.1590712853239649
Energy: 1.2612551841936646
Energy: 2.1014058487431075
Energy: 1.160470037873343
Energy: 1.1657538048058544
Energy: 1.1604700378709143
Energy: 1.8875268989100409
Energy: 1.37768908625419
Energy: 1.3754170063135283
Energy: 1.3776890862189775
Energy: 2.130341010885135
Energy: 1.3646278851083566
Energy: 1.4998025262817911
Energy: 1.3646278871115498
Energy: 2.0175104307541694
Energy: 1.6137124729860952
Energy: 1.3136979058491998
Energy: 1.613712472983667
Energy: 1.4658683483235322
Energy: 1.7290648536010023
Energy: 1.3685083936442557
Energy: 1.7290648536003952
Energy: 1.923223670082037
Energy: 1.776072314760323
Energy: 1.7534277998471728
Energy: 1.7760723147554665
Energy: 1.3823685997396689
Energy: 1.6601661694537782
Energy: 1.6865028891364293
Energy: 1.6601661694537782
Energy: 1.1572206958477098
Energy: 1.366190942774804
Energy: 2.068394322722203
Energy: 1.366190942757805
Energy: 1.9556028429537113
Energy: 1.2899190140610506
Energy: 2.1192079520610045
Energy: 1.2899190133115985
Energy: 1.2700723600161816
Energy: 1.480561550171824
Energy: 2.0907788810515813
Energy: 1.4805615501693952
Energy: 1.1609533650032342
Energy: 1.160166016924939
Energy: 2.063937172538391
Energy: 1.160166016924332
Energy: 1.2547405062587835
Energy: 1.1628485768761878
Energy: 1.8877560351077358
Energy: 1.1628485768707237
Energy: 1.7917582660498612
Energy: 1.6725689746471133
Energy: 2.103042518107913
Energy: 1.6725689746458992
Energy: 1.3128319199002514
Energy: 1.7388445051183006
Energy: 1.7679322610409975
Energy: 1.7388445051176933
Energy: 1.775182903280292
Energy: 1.6718321843895423
Energy: 1.4668318802338491
Energy: 1.6718321843907566
Energy: 2.0194386072054424
Energy: 1.7591882967053944
Energy: 2.0708237634403526
Energy: 1.7591882967017518
Energy: 2.0341816871598297
Energy: 1.5598524298142518
Energy: 1.2540629609388565
Energy: 1.5598524298154661
Energy: 2.0663493666306767
Energy: 1.1605505408919754
Energy: 1.1613394557128545
Energy: 1.1605505408895467
Energy: 2.2100780938806173
Energy: 1.3780171903284575
Energy: 1.3698936250873015
Energy: 1.378017190331493

minimum gb energy = 1.1572206958477098 eV
minimum distance =  2.48215415847339 Angstroms
sigma value = 37


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

Energy: 1.6058609274707305
Energy: 1.1549152843288544
Energy: 1.2521108361120432
Energy: 1.0646288197826699
Energy: 2.0847665205865504
Energy: 1.3883385066858398
Energy: 1.4062803104500876
Energy: 1.3883385066858398
Energy: 1.7295900686600056
Energy: 1.6339387507117646
Energy: 1.3375147720259692
Energy: 1.6339387507117646
Energy: 1.6138119982295744
Energy: 1.6463068486426817
Energy: 1.4052324899963895
Energy: 1.646306848643726
Energy: 2.115865131205924
Energy: 1.681105771240036
Energy: 1.3336161026970734
Energy: 1.6811057712389914
Energy: 1.406166988161376
Energy: 1.4218987434666543
Energy: 1.5746482252455898
Energy: 1.4218987434676988
Energy: 1.0596117237454896
Energy: 1.391407528393734
Energy: 1.8955410145616802
Energy: 1.391407528393734
Energy: 1.347052557588854
Energy: 1.2484881932693146
Energy: 2.0579347047883303
Energy: 1.248488193270359
Energy: 1.2486172253389232
Energy: 1.0650446605148258
Energy: 1.9742847229792682
Energy: 1.0650446605137813
Energy: 1.0648773856531617
Energy: 1.0645769244132703
Energy: 2.1080684507547294
Energy: 1.064576924414315
Energy: 1.251382769767688
Energy: 1.0646288194266327
Energy: 1.6058609274707305
Energy: 1.1549152843278099
Energy: 1.4062803104490431
Energy: 1.388338506686884
Energy: 2.0847665205855055
Energy: 1.388338506686884
Energy: 1.3375147720238802
Energy: 1.6339387507117646
Energy: 1.7295900686600056
Energy: 1.6339387507117646
Energy: 1.4052324899932562
Energy: 1.6463068486426817
Energy: 1.6138119982285297
Energy: 1.646306848643726
Energy: 1.3336161026960291
Energy: 1.681105771240036
Energy: 2.1158652119716588
Energy: 1.681105771240036
Energy: 1.5746482252455898
Energy: 1.4218987434676988
Energy: 1.406166988161376
Energy: 1.4218987434666543
Energy: 1.8957645929780595
Energy: 1.3914075283926897
Energy: 1.0596117237465343
Energy: 1.3914075283947787
Energy: 2.0579347047883303
Energy: 1.248488193270359
Energy: 1.3470525572401284
Energy: 1.2484881932714036
Energy: 1.9742847229792682
Energy: 1.0650446605148258
Energy: 1.2486172253389232
Energy: 1.0650446605137813
Energy: 2.1080684507536853
Energy: 1.0645769244132703
Energy: 1.0648773856531617
Energy: 1.0645769244132703

minimum gb energy = 1.0596117237454896 eV
minimum distance =  2.49054379207196 Angstroms
sigma value = 25


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

Energy: 1.9471081543972482
Energy: 1.0498149110546582
Energy: 1.971293481400277
Energy: 0.9684319164527533
Energy: 2.101019363343021
Energy: 0.9681904750648335
Energy: 1.242115016236111
Energy: 0.9681904751422812
Energy: 1.8322056128452096
Energy: 1.2409649703748251
Energy: 1.2389248181858201
Energy: 1.2409649716556226
Energy: 1.371975486788737
Energy: 1.4159811585070379
Energy: 1.9642340252614563
Energy: 1.4159811585078534
Energy: 1.9235310400338306
Energy: 1.544692332639343
Energy: 1.6744639503475325
Energy: 1.544692332639343
Energy: 1.5003753329281995
Energy: 1.4939419145367248
Energy: 1.670237354788868
Energy: 1.4939419145375403
Energy: 1.378187701698419
Energy: 1.534357170880585
Energy: 2.0913523817656223
Energy: 1.5343571708797694
Energy: 1.5390064456494152
Energy: 1.296647526078757
Energy: 1.6625507180787522
Energy: 1.296647526079573
Energy: 1.2388419158628776
Energy: 1.2411767610414373
Energy: 1.9341399744245584
Energy: 1.241176761042253
Energy: 1.2429092120907934
Energy: 0.9676918773808547
Energy: 2.1346989385887976
Energy: 0.9676918773833016
Energy: 1.1062461993341908
Energy: 1.1864900931453126
Energy: 1.6579118425034238
Energy: 1.186490093144497
Energy: 0.9758276518938401
Energy: 0.9681622834480413
Energy: 2.122666066371754
Energy: 0.9681622834464101
Energy: 0.9673574847294167
Energy: 0.9676734522635584
Energy: 2.068031584889562
Energy: 0.9676734522635584
Energy: 1.3747892850669967
Energy: 0.9683669445088626
Energy: 1.9510531137431457
Energy: 0.9683669445072314
Energy: 1.17580631027049
Energy: 0.9683476687281778
Energy: 1.9999448571946898
Energy: 0.9683476687273621
Energy: 1.2443917735972434
Energy: 1.242058299756431
Energy: 1.8373349971125001
Energy: 1.242058299756431
Energy: 1.8259325000081723
Energy: 1.5459881457360665
Energy: 1.8444054524760725
Energy: 1.5459881457376978
Energy: 1.1700229828541682
Energy: 1.65239997468094
Energy: 1.9273990235575946
Energy: 1.6523999746801243
Energy: 1.672393073657236
Energy: 1.4957086838696612
Energy: 1.4416379159564463
Energy: 1.495708683870477
Energy: 2.0854732132233096
Energy: 1.5504425152008092
Energy: 1.4996769383171744
Energy: 1.5504425151999937
Energy: 1.6593891257095512
Energy: 1.2437047940134098
Energy: 1.5447622938980172
Energy: 1.2437047940134098
Energy: 1.930590237273222
Energy: 1.2411080402962757
Energy: 0.9697153003735363
Energy: 1.24110804029546
Energy: 1.9297286300177177
Energy: 1.1088910570101134
Energy: 1.3819354526541066
Energy: 1.1088910570101134
Energy: 1.6613511208414227
Energy: 1.1072288227452705
Energy: 1.1052437630689917
Energy: 1.1072288227444547
Energy: 2.1267952740541904
Energy: 0.9666994719687294
Energy: 0.9690238703507086
Energy: 0.9666994719695451
Energy: 1.8347256240814205
Energy: 0.9685307390545291
Energy: 0.9682055069391183
Energy: 0.9685307390537136

minimum gb energy = 0.9666994719687294 eV
minimum distance =  2.48520668017827 Angstroms
sigma value = 41


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

Energy: 2.1585198285670226
Energy: 0.950482328221534
Energy: 1.0748825907938753
Energy: 0.9457463378737984
Energy: 2.1024683971564198
Energy: 0.8896646118781905
Energy: 1.1142780991463108
Energy: 0.8896646118741784
Energy: 1.8579262020980605
Energy: 1.1072704989017916
Energy: 1.0561808670810175
Energy: 1.1072704989024604
Energy: 1.6653046348725582
Energy: 1.1756751381037829
Energy: 1.7212765632198166
Energy: 1.1756751381071262
Energy: 1.9198499503308897
Energy: 1.4753442071091836
Energy: 1.4762831928155868
Energy: 1.4753442071091836
Energy: 1.610148468427905
Energy: 1.3879938225178796
Energy: 1.4730015056883359
Energy: 1.3879938225178796
Energy: 1.6174692452733486
Energy: 1.5382198236608602
Energy: 1.7992152755225703
Energy: 1.5382198236615288
Energy: 1.966952266169377
Energy: 1.4512209362998876
Energy: 1.436986060001661
Energy: 1.4512209362998876
Energy: 1.2762848747875148
Energy: 1.3981663857969284
Energy: 1.751615431297516
Energy: 1.3981663857975972
Energy: 1.330407446336147
Energy: 1.390391486802042
Energy: 2.0647482839594753
Energy: 1.3903914868027105
Energy: 1.1107402790930432
Energy: 1.1159999412080222
Energy: 1.911203602440475
Energy: 1.1159999412888717
Energy: 1.0486240558950937
Energy: 1.1220047215713322
Energy: 1.951062191804091
Energy: 1.1220047215733384
Energy: 1.2286822618980546
Energy: 1.0000749019033963
Energy: 1.955657223130761
Energy: 1.0000749018947035
Energy: 0.996803019924226
Energy: 0.999509195587821
Energy: 1.9131044685578527
Energy: 0.999509195587821
Energy: 0.8889317607382208
Energy: 0.8873255142100979
Energy: 2.0028965807834527
Energy: 0.8873255142107666
Energy: 0.8860425885750024
Energy: 0.9990161950314262
Energy: 1.894350383141823
Energy: 0.9990161950300889
Energy: 1.3007189451944299
Energy: 1.002559283248405
Energy: 1.8987461307222526
Energy: 1.0025592832497425
Energy: 1.0474018797199816
Energy: 0.8850452367247064
Energy: 1.8997982147709256
Energy: 0.8850452367367425
Energy: 1.1261957712942166
Energy: 1.1217059261525568
Energy: 1.6991694243018098
Energy: 1.1217059262875697
Energy: 1.4797142199909759
Energy: 1.4102292234946159
Energy: 1.610498006009169
Energy: 1.4102292234932785
Energy: 1.435438040574406
Energy: 1.4706244194112057
Energy: 1.7272729699632288
Energy: 1.470624419412543
Energy: 1.4817421675634483
Energy: 1.4688387742017217
Energy: 1.669742542825107
Energy: 1.4688387742017217
Energy: 1.7097149596743801
Energy: 1.4476112379651522
Energy: 1.6099765101883832
Energy: 1.447611237965821
Energy: 1.4387283061898914
Energy: 1.4001198952947167
Energy: 1.4838168538623133
Energy: 1.4001198952947167
Energy: 1.7625764362423355
Energy: 1.456826729398645
Energy: 1.2057197379847429
Energy: 1.4568267293966393
Energy: 1.7537755434762439
Energy: 1.1831920755294163
Energy: 1.4675072521088992
Energy: 1.1831920755307537
Energy: 1.757990491823525
Energy: 1.1761387361065465
Energy: 1.1128810363380777
Energy: 1.1761387361065465
Energy: 1.9663542490497696
Energy: 0.8859155790346036
Energy: 1.0455207752293707
Energy: 0.8859155788434212
Energy: 1.9357102411561635
Energy: 1.0029278417714138
Energy: 1.2230938699017002
Energy: 1.0029278417720824
Energy: 1.7528151850825553
Energy: 0.9986978117448779
Energy: 0.9968693497974261
Energy: 0.9986978117462154
Energy: 1.9847029558040301
Energy: 0.8878795978102241
Energy: 0.8881943240750364
Energy: 0.8878795978095554
Energy: 2.1643120000870595
Energy: 0.8863709459800109
Energy: 0.9977026916529574
Energy: 0.8863709459813482

minimum gb energy = 0.8850452367247064 eV
minimum distance =  2.48688477617284 Angstroms
sigma value = 15


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

Energy: 1.870754022096226
Energy: 0.8849643039537881
Energy: 1.174330092862508
Energy: 0.8774764221163994
Energy: 2.0971244143142287
Energy: 0.8223592040838641
Energy: 1.0182681411248018
Energy: 0.8223592040838641
Energy: 1.8609093694223782
Energy: 1.0106212272507438
Energy: 0.9637571247938952
Energy: 1.0106212272507438
Energy: 1.8733079286910013
Energy: 1.0617757798636624
Energy: 1.4118121996964075
Energy: 1.0617757798664949
Energy: 1.936780457487712
Energy: 1.1605535857769207
Energy: 1.3013143362503434
Energy: 1.1605535857763543
Energy: 1.6828676442325023
Energy: 1.2614809213256746
Energy: 1.324039722494518
Energy: 1.2614809213239753
Energy: 1.4726230569773824
Energy: 1.338227665641609
Energy: 1.544117634474441
Energy: 1.338227665641609
Energy: 1.8055511808978166
Energy: 1.3308383467132168
Energy: 1.2760657175383197
Energy: 1.3308383467126503
Energy: 1.4427084351403192
Energy: 1.3189702498993652
Energy: 1.5648313596792167
Energy: 1.318970249900498
Energy: 1.4417146857791072
Energy: 1.337856760496922
Energy: 1.8163123474401732
Energy: 1.337856760496922
Energy: 1.3714410973749835
Energy: 1.3022280867084561
Energy: 1.668276609492936
Energy: 1.3022280866200873
Energy: 1.0904872615760064
Energy: 1.2643303230157943
Energy: 1.748300343675171
Energy: 1.2643303230152279
Energy: 1.3218355350251743
Energy: 1.2738924034697707
Energy: 1.8021173537847395
Energy: 1.2738924034703372
Energy: 1.0138822606696907
Energy: 1.0161486427517923
Energy: 1.6700592731236816
Energy: 1.0161486427529252
Energy: 0.9552635237374404
Energy: 1.0137571968195365
Energy: 1.9679893191753235
Energy: 1.0137571968252013
Energy: 1.1199730343803183
Energy: 0.9158666391474968
Energy: 1.8063290610612304
Energy: 0.9158666391469303
Energy: 0.9116428044013876
Energy: 0.9177059149863879
Energy: 1.8145748788266376
Energy: 0.9177059149824227
Energy: 0.8190932131248214
Energy: 0.8198367046239573
Energy: 2.013095792395817
Energy: 0.8198367046216913
Energy: 0.9121496101444798
Energy: 0.914426501721178
Energy: 1.7647864527352197
Energy: 0.9144265017206116
Energy: 1.1866555743445903
Energy: 0.9158006908189863
Energy: 1.9011835669081205
Energy: 0.915800691245897
Energy: 0.9510466682347387
Energy: 1.0416300588371699
Energy: 1.9302547747545806
Energy: 1.0416300588439675
Energy: 1.054737110900646
Energy: 1.0134701935318877
Energy: 1.877692019224501
Energy: 1.0134701934945007
Energy: 1.3277818809639532
Energy: 1.2748474842989461
Energy: 1.6801903137915457
Energy: 1.2748474842989461
Energy: 1.279222058129536
Energy: 1.3137195075556993
Energy: 1.7738658411958872
Energy: 1.313719507556266
Energy: 1.3422640018831318
Energy: 1.2679370346496122
Energy: 1.4640214778712248
Energy: 1.2679370346484793
Energy: 1.5425514534156766
Energy: 1.3309010858873067
Energy: 1.8177776275274369
Energy: 1.3309010858878731
Energy: 1.3022122155581128
Energy: 1.3271428920917931
Energy: 1.5446236149709824
Energy: 1.3271428920906603
Energy: 1.5809691290555299
Energy: 1.4987537062650496
Energy: 1.465028152780453
Energy: 1.4987537062650496
Energy: 1.6048125961473563
Energy: 1.3432747930939033
Energy: 1.5480765189840442
Energy: 1.3432747930939033
Energy: 1.5626424070401261
Energy: 1.2731909812941002
Energy: 1.3282527496224634
Energy: 1.2731909812952331
Energy: 1.9641108192373464
Energy: 1.0830379827141174
Energy: 1.0902759607761974
Energy: 1.0830379827141174
Energy: 1.6715134013049797
Energy: 1.0655553710648216
Energy: 1.4037170052655266
Energy: 1.0655553710636885
Energy: 1.8026326159609052
Energy: 1.0133196665696391
Energy: 1.01937795868345
Energy: 1.0133196665390496
Energy: 1.9861945123215619
Energy: 0.8219777021425838
Energy: 1.0182225785326107
Energy: 0.821977702140318
Energy: 2.0847224640565405
Energy: 0.9156297449180458
Energy: 1.1726860003003587
Energy: 0.9156297449231441
Energy: 1.988673854143689
Energy: 0.8211292451584791
Energy: 0.828057950836746
Energy: 0.8211292451579126
Energy: 1.9533110012970059
Energy: 0.8203449540547847
Energy: 0.830509477497877
Energy: 0.8203449540553512

minimum gb energy = 0.8190932131248214 eV
minimum distance =  2.48370251751852 Angstroms
sigma value = 85


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

Energy: 1.9979639031290088
Energy: 0.8447620787735373
Energy: 1.1378727855213067
Energy: 0.822847445960215
Energy: 2.0638910200878113
Energy: 0.7437266581064433
Energy: 0.9118571385608436
Energy: 0.7437266581084084
Energy: 1.7098750384467167
Energy: 0.9113366865468738
Energy: 0.8561528081346615
Energy: 0.9113366865463824
Energy: 1.6411419418027455
Energy: 0.9590672925479751
Energy: 1.184167242899305
Energy: 0.9590672925484663
Energy: 1.9199533390363892
Energy: 1.0324862831737096
Energy: 1.1607379916915075
Energy: 1.0324862832100214
Energy: 1.4989797920832837
Energy: 1.1421107012032565
Energy: 1.1881384909850274
Energy: 1.1421107012027651
Energy: 1.6069107164787633
Energy: 1.1867092621862967
Energy: 1.3762432441340815
Energy: 1.1867092621867876
Energy: 1.8222034389910986
Energy: 1.1892769993901045
Energy: 1.1335896443204792
Energy: 1.1892769993901045
Energy: 1.5056597888946002
Energy: 1.2144268120829695
Energy: 1.3998839563627994
Energy: 1.2144268120824782
Energy: 1.5027476025948256
Energy: 1.2260570026320767
Energy: 1.6290968182545584
Energy: 1.2260570026320767
Energy: 1.3963816318736026
Energy: 1.2064270858347403
Energy: 1.4662712537817975
Energy: 1.2064270858342492
Energy: 1.3002966860504532
Energy: 1.2035970345793625
Energy: 1.6117148725324526
Energy: 1.2035970345793625
Energy: 1.3795358337286006
Energy: 1.2112501390492
Energy: 1.6058071391677957
Energy: 1.2112501390487087
Energy: 1.2212143969330291
Energy: 1.136037588711454
Energy: 1.470235538245855
Energy: 1.1360375887109626
Energy: 0.9707167929724139
Energy: 1.1429490621104021
Energy: 1.7671135816439552
Energy: 1.1429490621099108
Energy: 1.1834111720789624
Energy: 0.9756616127779381
Energy: 1.6073228072630248
Energy: 0.9756616127784293
Energy: 0.9119508149022798
Energy: 0.9582309909769022
Energy: 1.6118569894668984
Energy: 0.9582309909759197
Energy: 0.8565203798605301
Energy: 0.9154389155685474
Energy: 1.9728946100428146
Energy: 0.9154389155695299
Energy: 0.9915458249434648
Energy: 0.8242185234532772
Energy: 1.81324548196027
Energy: 0.8242185234370644
Energy: 0.8228856748259133
Energy: 0.8245755622021298
Energy: 1.813530986017967
Energy: 0.8245755622232558
Energy: 0.7443160443634301
Energy: 0.7425153654071236
Energy: 1.9953636873824914
Energy: 0.7425153654066323
Energy: 0.8230143619407806
Energy: 0.8255887410199354
Energy: 2.004077479570897
Energy: 0.8255887410204268
Energy: 1.0512057367692407
Energy: 0.8259564871686845
Energy: 1.895760368054568
Energy: 0.8259564871681933
Energy: 0.8602467299469903
Energy: 0.9118875510937268
Energy: 1.9730747891728129
Energy: 0.9118875510952006
Energy: 0.9456832822057036
Energy: 0.9139403657043371
Energy: 1.638622749707701
Energy: 0.9139403657018808
Energy: 1.1857931769980856
Energy: 0.9770162208914336
Energy: 1.9191325424727126
Energy: 0.9770162208914336
Energy: 1.183883956670923
Energy: 1.1333840693230244
Energy: 1.6874879556792006
Energy: 1.1333840693235158
Energy: 1.376865378601699
Energy: 1.1468371355454607
Energy: 1.6397000911896145
Energy: 1.146837135542022
Energy: 1.3988174201008081
Energy: 1.2067453579830145
Energy: 1.8785904785277079
Energy: 1.2067453579835057
Energy: 1.3958183548375191
Energy: 1.2099873320230101
Energy: 1.5000090783930644
Energy: 1.2099873320235015
Energy: 1.6336546463864536
Energy: 1.216122963686444
Energy: 1.2986206131828366
Energy: 1.216122963686444
Energy: 1.470845629762512
Energy: 1.217107540672005
Energy: 1.5658890649304698
Energy: 1.2171075406715137
Energy: 1.6080825075355079
Energy: 1.2133337578498453
Energy: 1.2881895362908948
Energy: 1.2133337578503367
Energy: 1.8794604905573418
Energy: 1.206964381844027
Energy: 1.2887217866495297
Energy: 1.206964381844027
Energy: 1.465683985311466
Energy: 1.134981947505364
Energy: 1.3792255579068553
Energy: 1.1349819475048728
Energy: 1.764121782605741
Energy: 1.140784218270621
Energy: 1.1355822926999601
Energy: 1.1407842182701293
Energy: 1.8264965032337777
Energy: 0.9753328398926358
Energy: 1.1861115190039992
Energy: 0.9753328399083127
Energy: 1.8204388456293352
Energy: 0.9133601546780454
Energy: 0.9115064115742962
Energy: 0.9133601546765716
Energy: 1.9592380234541438
Energy: 0.9115533595444151
Energy: 0.8593076881729749
Energy: 0.9115533595444151
Energy: 1.8182642518397
Energy: 0.8263980735856862
Energy: 0.9939025936514562
Energy: 0.8263980735851949
Energy: 1.8245462127040037
Energy: 0.824897523445151
Energy: 0.8227528300220309
Energy: 0.824897523445151
Energy: 1.9784844480824852
Energy: 0.7424014454837408
Energy: 0.7436180440993869
Energy: 0.7424014454837408
Energy: 1.7084628752258781
Energy: 0.8246816125964629
Energy: 0.8227114419466329
Energy: 0.8246816125969542

minimum gb energy = 0.7424014454837408 eV
minimum distance =  2.48674697383481 Angstroms
sigma value = 113


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

Energy: 0.021443149606290183
Energy: 0.022494448860328052
Energy: 1.5489298190592298
Energy: 0.8018387940482921
Energy: 0.022948930391416992
Energy: 0.13589223641353235
Energy: 0.8844719846563346
Energy: 0.13589223641462342
Energy: 0.0236600916962602
Energy: 0.13342921546170575
Energy: 0.8829260935660188
Energy: 0.13342921546137004
Energy: 0.02445962004903106
Energy: 0.13354206421064177
Energy: 0.881979057946287
Energy: 0.13354206421064177
Energy: 0.8870009866622617
Energy: 0.13308433720963195
Energy: 1.37902038174339
Energy: 0.13308433720891855
Energy: 0.022282604548895142
Energy: 0.13305889122456502
Energy: 0.8840280861725699
Energy: 0.13305889122456502

minimum gb energy = 0.021443149606290183 eV
minimum distance =  2.73564568191438 Angstroms
sigma value = 1