Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.593729183077813
cohesive_energy=4.272647501189812
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.97349709069584e-19, 2.7964711405162796e-19, 3.41601682311774e-19, 3.92224055239638e-19, 4.34604831562206e-19, 4.707659581915859e-19, 5.01998789494782e-19, 5.2918292044386e-19, 5.5295922169242e-19, 5.73808346230662e-19, 5.921052033909419e-19, 6.081461958505499e-19, 6.221764566344879e-19, 6.3439305346873795e-19, 6.44967419253138e-19, 6.5404054553148e-19, 6.617357999045819e-19, 6.681573238536539e-19, 6.734012479767359e-19, 6.775476811055279e-19, 6.806703233651939e-19, 6.828316596444599e-19, 6.840909704787839e-19, 6.844995255204539e-19, 6.84062131299372e-19, 6.82650613684818e-19, 6.80096744130222e-19, 6.7620665926287e-19, 6.707063868783479e-19, 6.63160134932208e-19, 6.52995926366112e-19, 6.39471953398518e-19, 6.216156948125879e-19, 5.9815982889082795e-19, 5.67423672344172e-19, 5.27168984414922e-19, 4.74391683914328e-19, 4.05011026955592e-19, 3.13432212732786e-19, 1.9187987804110797e-19, 2.9419167353508e-20, -1.8913855382033397e-19, -4.85084610769644e-19, -8.893666473567658e-19, -1.447939895974722e-18, -2.2309508540133e-18, -3.3492861663116395e-18, -4.9843074213086394e-18, -7.445010404637539e-18, -1.127196951260994e-17, -1.7427996771661798e-17, -2.76128734163364e-17, -4.4543714778467996e-17, -7.07638160468682e-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: 0.016675141607651583
Energy: 0.11186574783867013
Energy: 0.6533021193228479
Energy: 0.01739702773995359
Energy: 0.1118657478399042
Energy: 0.9560400784230414
Energy: 0.01739702773995359
Energy: 0.9560400784224068
Energy: 0.6533021193228479
Energy: 0.01739702773995359
Energy: 0.016675141607651583
Energy: 0.11186574783926954
Energy: 0.01739702773995359
Energy: 0.9560400784230414
Energy: 0.11186574783926954
Energy: 0.9560400784236409

minimum gb energy = 0.016675141607651583 eV
minimum distance =  2.5058992751936 Angstroms
sigma value = 1


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

Energy: 1.3762821692068354
Energy: 1.0100015739224923
Energy: 1.050517108304824
Energy: 0.9571709501025736
Energy: 0.9659731485744454
Energy: 1.0597919364212183
Energy: 0.9726599362069245
Energy: 1.0597919364204484
Energy: 1.0790774724790948
Energy: 1.0888657108908875
Energy: 1.4889327502471743
Energy: 1.0888657111101847
Energy: 0.99552207906743
Energy: 1.0676643234055156
Energy: 0.9714295483410291
Energy: 1.067664323407055
Energy: 1.2954181256243138
Energy: 0.9709980044163898
Energy: 0.9679920649652697
Energy: 0.9709980044263962
Energy: 0.995527258232153
Energy: 0.9988760623415986
Energy: 0.9646902884738981
Energy: 0.998876062343138
Energy: 1.038575685680813
Energy: 1.0741076849837485
Energy: 1.2945744885448462
Energy: 1.0741076849829787
Energy: 0.9978997332012544
Energy: 1.4959637501176501
Energy: 0.9973000577514586
Energy: 1.4959637501176501
Energy: 1.152260566273865
Energy: 1.145390126020159
Energy: 1.1561575754482387
Energy: 1.1453901260209287
Energy: 0.9947508385113586
Energy: 1.4676748202742427
Energy: 0.9941027401528892
Energy: 1.4676748202742427
Energy: 1.2137825639207394
Energy: 1.144611773511515
Energy: 1.1518213376024187
Energy: 1.1446117735099752
Energy: 0.992649358598699
Energy: 1.4188400600057682
Energy: 1.000774493292172
Energy: 1.418840060004229
Energy: 1.0351359087454453
Energy: 1.074051841888519
Energy: 1.3780211882684101
Energy: 1.074051841888519
Energy: 0.9962457070029017
Energy: 1.2000728204006401
Energy: 0.9900142005607828
Energy: 1.2000728204029494
Energy: 1.3780783850061724
Energy: 0.9673092744039186
Energy: 0.965400333325307
Energy: 0.9673092744039186
Energy: 0.9988032861891927
Energy: 1.058486582607065
Energy: 0.9659341889398863
Energy: 1.0584865826047558
Energy: 1.0081020788594306
Energy: 1.0138907509862527
Energy: 1.600863955017831
Energy: 1.0138907509901012
Energy: 0.9658378788610033
Energy: 1.054384498006041
Energy: 0.9886276429351561
Energy: 1.0543844980237445
Energy: 1.4905891173666848
Energy: 1.012862931448386
Energy: 1.08224909908044
Energy: 1.0128629314468465
Energy: 0.9957984354149271
Energy: 1.0541321444100569
Energy: 0.9801636959821564
Energy: 1.0541321444100569
Energy: 0.9695798335997002
Energy: 0.9661365593203457
Energy: 1.2965681983016064
Energy: 0.9661365593226547
Energy: 0.9813780242002293
Energy: 0.9801390453546845
Energy: 0.9952856027460689
Energy: 0.9801390454108734
Energy: 1.294838702220645
Energy: 1.075620603434357
Energy: 0.9979502699638
Energy: 1.075620603434357
Energy: 0.9979232807308758
Energy: 0.9927186800117237
Energy: 0.9947416850808997
Energy: 0.9927186800101843
Energy: 1.1197997890609028
Energy: 1.1473700058773455
Energy: 1.1525160551439972
Energy: 1.1473700058765761
Energy: 0.9961493602291022
Energy: 0.9942258378325279
Energy: 0.9966434410531961
Energy: 0.9942258378332979
Energy: 1.151641384745809
Energy: 1.1418784961727966
Energy: 1.2214465314719207
Energy: 1.1418784961727966
Energy: 0.9979166396005947
Energy: 1.309766588962299
Energy: 0.9942350463319869
Energy: 1.309766588961529
Energy: 1.3860646765509834
Energy: 1.0686294068461402
Energy: 1.0377503944607802
Energy: 1.0686294068453703
Energy: 0.9907366993460499
Energy: 1.2011087276323906
Energy: 0.9978007999102159
Energy: 1.2011087276323906
Energy: 0.9676855068640632
Energy: 0.9666395741128316
Energy: 1.3808703820074473
Energy: 0.9666395740597217
Energy: 0.9659492913035397
Energy: 0.9783740832085658
Energy: 0.9989569208699658
Energy: 0.9783740832093355
Energy: 1.6053353345150798
Energy: 1.0112607785280279
Energy: 1.0066232421268986
Energy: 1.0112607784972396

minimum gb energy = 0.9571709501025736 eV
minimum distance =  2.29394478363878 Angstroms
sigma value = 1


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

Energy: 1.5757686811687843
Energy: 1.0608788840116623
Energy: 1.1094569846958944
Energy: 1.0029927380953831
Energy: 1.0202851925256382
Energy: 1.1194988069651173
Energy: 1.017374445431639
Energy: 1.119498806965995
Energy: 1.1435362725741511
Energy: 1.0623936250188453
Energy: 1.4563858154986975
Energy: 1.062393625019723
Energy: 1.0492768615782413
Energy: 1.126548516359237
Energy: 1.0183242158480823
Energy: 1.1265485163609925
Energy: 1.4558552803720373
Energy: 1.017241167866933
Energy: 1.0188790847514873
Energy: 1.017241167865178
Energy: 1.0492167618122532
Energy: 1.0180922926638307
Energy: 1.017212249701575
Energy: 1.0180922926647085
Energy: 1.062258538803507
Energy: 1.1395589352087754
Energy: 1.2562247697343392
Energy: 1.1395589352087754
Energy: 1.0499817526534496
Energy: 1.511849260599779
Energy: 1.0512130989192083
Energy: 1.511849260599779
Energy: 1.2583361635545351
Energy: 1.218565919057133
Energy: 1.1792402671484352
Energy: 1.218565919058888
Energy: 1.0508122423495194
Energy: 1.5119736882029513
Energy: 1.0490557955328512
Energy: 1.5119736882073396
Energy: 1.3357179272418893
Energy: 1.1404023939972696
Energy: 1.1097115095783427
Energy: 1.1404023939981471
Energy: 1.0401150407360835
Energy: 1.3056145781022708
Energy: 1.0524954633724373
Energy: 1.3056145781013933
Energy: 1.017561344938665
Energy: 1.0184425738111074
Energy: 1.3360466647130258
Energy: 1.018442573809352
Energy: 1.018019011460852
Energy: 1.1101241586804993
Energy: 1.0508970634850343
Energy: 1.1101241586796218
Energy: 1.577536676516391
Energy: 1.0622196720290835
Energy: 1.061422674115636
Energy: 1.0622196720325938
Energy: 1.0359684462441454
Energy: 1.1103628806233257
Energy: 1.0222021025946724
Energy: 1.1103628805391157
Energy: 1.0654529619571287
Energy: 1.0665879187515899
Energy: 1.4577031105429323
Energy: 1.0665879187515899
Energy: 1.0164999448073357
Energy: 1.1092882586619366
Energy: 1.0483478814865963
Energy: 1.109288258662814
Energy: 1.456268093155313
Energy: 1.0250358319789905
Energy: 1.0192699542278698
Energy: 1.0250358319816235
Energy: 1.0496298988024622
Energy: 1.0172092642190882
Energy: 1.016707404332678
Energy: 1.0172092642190882
Energy: 1.058837233435421
Energy: 1.1398680853972425
Energy: 1.2573475393789706
Energy: 1.1398680853981198
Energy: 1.0638317632105445
Energy: 1.1111150144932778
Energy: 1.050148241160674
Energy: 1.1111150144941557
Energy: 1.2571188816119416
Energy: 1.212129097584079
Energy: 1.0833999281791542
Energy: 1.2121290975858343
Energy: 1.0501331753072045
Energy: 1.3531864571095353
Energy: 1.0493876034182539
Energy: 1.3531864571104129
Energy: 1.3432627307137166
Energy: 1.1511747126982759
Energy: 1.1083919865769254
Energy: 1.151174712696521
Energy: 1.0396053028089307
Energy: 1.1124598596681246
Energy: 1.0508375225991389
Energy: 1.1124598596672468
Energy: 1.01891315566826
Energy: 1.0179346929550581
Energy: 1.3418281067594118
Energy: 1.0179346929568134
Energy: 1.0183852242114022
Energy: 1.019397295642502
Energy: 1.0506577320292447
Energy: 1.019397295642502
Energy: 1.590970317070297
Energy: 1.017792508123926
Energy: 1.0598982108215096
Energy: 1.0177925081072516

minimum gb energy = 1.0029927380953831 eV
minimum distance =  2.28001556030251 Angstroms
sigma value = 25


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

Energy: 1.5391318921425268
Energy: 1.1195888017736775
Energy: 1.1795773737667885
Energy: 1.053426984169458
Energy: 1.0762614970031517
Energy: 1.1573324421999571
Energy: 1.0759160194124637
Energy: 1.1573324421999571
Energy: 1.118173046850141
Energy: 1.1182992525643012
Energy: 1.4161586301197249
Energy: 1.1182992525653215
Energy: 1.1109390294507622
Energy: 1.174068815442531
Energy: 1.075151032262205
Energy: 1.1740688154435512
Energy: 1.416757173328866
Energy: 1.0778169386313248
Energy: 1.0754675044594033
Energy: 1.0778169386384662
Energy: 1.1101733852122322
Energy: 1.0758758112189872
Energy: 1.0765870320235031
Energy: 1.0758758112210276
Energy: 1.1343271076017982
Energy: 1.2250144999209926
Energy: 1.1983226487997407
Energy: 1.2250144999220127
Energy: 1.116610600890231
Energy: 1.5460375994959243
Energy: 1.1069095568099887
Energy: 1.5460375994949043
Energy: 1.1983757964942134
Energy: 1.2250487307992943
Energy: 1.1598227221729576
Energy: 1.225048730798274
Energy: 1.1119873526972313
Energy: 1.3528824922969738
Energy: 1.103499912744356
Energy: 1.3528824922969738
Energy: 1.5448004603975694
Energy: 1.077170632766172
Energy: 1.0753744992143288
Energy: 1.0771706327671922
Energy: 1.0775615216845607
Energy: 1.379613916608027
Energy: 1.0764329422278476
Energy: 1.379613916609047
Energy: 1.1203354973076582
Energy: 1.1179883827603243
Energy: 1.5428566159055812
Energy: 1.1179883827562436
Energy: 1.0755218309171017
Energy: 1.0754038134434358
Energy: 1.10050212991071
Energy: 1.075403812536901
Energy: 1.4172153941740353
Energy: 1.125870152346571
Energy: 1.1268503817547606
Energy: 1.1258701523445307
Energy: 1.1516957816193256
Energy: 1.157703964815659
Energy: 1.0755591414246088
Energy: 1.157703964815659
Energy: 1.0766505661483419
Energy: 1.0768253567445565
Energy: 1.4168346166404144
Energy: 1.0768253567465969
Energy: 1.0762167132300897
Energy: 1.07544499304091
Energy: 1.1109074541189923
Energy: 1.0754449930908998
Energy: 1.1982228685748424
Energy: 1.2188926029941387
Energy: 1.1327069803576093
Energy: 1.218892602995159
Energy: 1.10818901773679
Energy: 1.2176026880313358
Energy: 1.1315723645937656
Energy: 1.2176026880313358
Energy: 1.1571817380647975
Energy: 1.2376854548546445
Energy: 1.2007353648053942
Energy: 1.2376854548536242
Energy: 1.1590310153127426
Energy: 1.2068447291118376
Energy: 1.1132222647736512
Energy: 1.2068447291118376
Energy: 1.07705903548311
Energy: 1.0774670030361433
Energy: 1.107707901545925
Energy: 1.0774670032910527
Energy: 1.0768028708236703
Energy: 1.0772926095625943
Energy: 1.1047787918397431
Energy: 1.077292609535049
Energy: 1.545385751756179
Energy: 1.0749685540070193
Energy: 1.118789966114206
Energy: 1.0749685540090599

minimum gb energy = 1.053426984169458 eV
minimum distance =  2.28116290475524 Angstroms
sigma value = 9


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

Energy: 1.494606314056626
Energy: 1.1748288904129318
Energy: 1.1735836206003287
Energy: 1.1068483414269636
Energy: 1.1861502232143124
Energy: 1.2194147990326538
Energy: 1.141045127103732
Energy: 1.2194147990326538
Energy: 1.174615300694142
Energy: 1.1740312458140125
Energy: 1.6255374559052091
Energy: 1.1740312458152296
Energy: 1.2117990875497822
Energy: 1.2189680549267359
Energy: 1.1401128247577326
Energy: 1.2189680549267359
Energy: 1.3385560050018281
Energy: 1.1409178025799402
Energy: 1.1390223551994052
Energy: 1.1409178025811573
Energy: 1.201219589779719
Energy: 1.1419271889715619
Energy: 1.1392945703735942
Energy: 1.1419271888085645
Energy: 1.1761584099040632
Energy: 1.3065069825682158
Energy: 1.3403063000299567
Energy: 1.3065069825669986
Energy: 1.1843840282244156
Energy: 1.2717499509087156
Energy: 1.1993394250571505
Energy: 1.2717499509087156
Energy: 1.1385684459836503
Energy: 1.1407382795936294
Energy: 1.0939978839964637
Energy: 1.1407382795924121
Energy: 1.1395368359687692
Energy: 1.139761440357464
Energy: 1.1346153033815827
Energy: 1.1397614403696343
Energy: 1.495043800963905
Energy: 1.1743474462023693
Energy: 1.1743223375696756
Energy: 1.174347446214512
Energy: 1.2365209154448566
Energy: 1.1582707040151112
Energy: 1.1401324201409349
Energy: 1.1582707040138944
Energy: 1.1872999086841594
Energy: 1.1863978899362682
Energy: 1.6258630453863037
Energy: 1.1863978899362682
Energy: 1.1743870842479374
Energy: 1.1388170435709086
Energy: 1.215339867571119
Energy: 1.138817043564824
Energy: 1.33759060648967
Energy: 1.140872881741627
Energy: 1.1409324846948141
Energy: 1.1408728817404101
Energy: 1.1987982641649741
Energy: 1.1402389202880778
Energy: 1.1404876190874307
Energy: 1.1402389202880778
Energy: 1.1737996930540338
Energy: 1.2855758913724946
Energy: 1.340988814010871
Energy: 1.2855758913724946
Energy: 1.1749327608528228
Energy: 1.2845041784972127
Energy: 1.198433119949932
Energy: 1.2845041784959954
Energy: 1.1402522965001434
Energy: 1.1416880544644268
Energy: 1.0934971561468334
Energy: 1.14168805446321
Energy: 1.1389414077526314
Energy: 1.1401734328397333
Energy: 1.093735226581985
Energy: 1.1401734328397333
Energy: 1.0952383137009398
Energy: 1.1587758623121025
Energy: 1.1731535439923757
Energy: 1.1587758623145366

minimum gb energy = 1.0934971561468334 eV
minimum distance =  2.28587632082964 Angstroms
sigma value = 25


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

Energy: 1.3237125437906931
Energy: 1.2346761229993441
Energy: 1.2334583785784805
Energy: 1.1406292356244787
Energy: 1.3190858693073617
Energy: 1.2193753627212092
Energy: 1.3091347595436231
Energy: 1.2193753627227142
Energy: 1.2349643413377378
Energy: 1.2333925657792515
Energy: 1.5192360609520272
Energy: 1.233392565788282
Energy: 1.2361848282841794
Energy: 1.2193755719966304
Energy: 1.3088171194204157
Energy: 1.2193755719966304
Energy: 1.2202074561747458
Energy: 1.3305754446163782
Energy: 1.2181927764057394
Energy: 1.3305754446163782
Energy: 1.3280788949110747
Energy: 1.221924818367406
Energy: 1.2200006838333386
Energy: 1.2219248183659008
Energy: 1.2894072567904176
Energy: 1.2206964653359584
Energy: 1.2192130391621985
Energy: 1.2206964654518153
Energy: 1.2878040877420522
Energy: 1.1311329706048185
Energy: 1.3100657150786705
Energy: 1.1311329706048185
Energy: 1.234446719303731
Energy: 1.2346272065652222
Energy: 1.7261610799599807
Energy: 1.234627206566727
Energy: 1.3198571332047597
Energy: 1.1310617198952222
Energy: 1.2370584580247046
Energy: 1.1310617198952222
Energy: 1.514125403599397
Energy: 1.2340887831063923
Energy: 1.2498558114599205
Energy: 1.2340887831078973
Energy: 1.2346295918462316
Energy: 1.2119822515662864
Energy: 1.2362986281081778
Energy: 1.2119822515662864
Energy: 1.22117538013313
Energy: 1.3355398512972823
Energy: 1.219610623353603
Energy: 1.3355398512987875
Energy: 1.2175845148495383
Energy: 1.2213109702455462
Energy: 1.3300920172412096
Energy: 1.221310970235011
Energy: 1.2215772567471064
Energy: 1.2791384244090844
Energy: 1.292767606276549
Energy: 1.2791384244090844
Energy: 1.1642521893300206
Energy: 1.3310985835603826
Energy: 1.2883504972023987
Energy: 1.3310985835618876
Energy: 1.3338208561248925
Energy: 1.1335389908400544
Energy: 1.232156732152789
Energy: 1.1335389908400544

minimum gb energy = 1.1310617198952222 eV
minimum distance =  2.3332577036899 Angstroms
sigma value = 17


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

Energy: 1.7032357456017169
Energy: 1.3180453242659305
Energy: 1.4418386344286493
Energy: 1.2522484016806859
Energy: 1.309476472578677
Energy: 1.2076876356631754
Energy: 1.3747725291884758
Energy: 1.2076876356631754
Energy: 1.2086217358930826
Energy: 1.2097439598284054
Energy: 1.322760477954587
Energy: 1.20974395973127
Energy: 1.2080687194963982
Energy: 1.2087043590586692
Energy: 1.236989626032585
Energy: 1.2087043590586692
Energy: 1.28414124024503
Energy: 1.3634380669900472
Energy: 1.297010126297941
Energy: 1.3634380669917516
Energy: 1.2108980733100463
Energy: 1.3648050220350119
Energy: 1.2828646051089252
Energy: 1.3648050220341592
Energy: 1.2388753063053761
Energy: 1.20955475454967
Energy: 1.2112214400216241
Energy: 1.209554754551375
Energy: 1.389373993122776
Energy: 1.2382652576621818
Energy: 1.3113072477450407
Energy: 1.2382652576621818
Energy: 1.3523465646923611
Energy: 1.315371049038766
Energy: 1.3272081702079432
Energy: 1.315371049038766
Energy: 1.3137559759125585
Energy: 1.366015525368013
Energy: 1.3745747574196017
Energy: 1.366015525368013
Energy: 1.2794367023022362
Energy: 1.396601029116587
Energy: 1.2037595026250352
Energy: 1.3966010291123252
Energy: 1.3346292311178818
Energy: 1.2421767944125488
Energy: 1.2405026005486823
Energy: 1.2421767944875215
Energy: 1.2355411834726073
Energy: 1.2430470011253378
Energy: 1.2403350501525827
Energy: 1.2430470011244856
Energy: 1.2424700918863865
Energy: 1.3931710031291558
Energy: 1.2006021140530747
Energy: 1.3931710031283036
Energy: 1.3141359411101625
Energy: 1.3345934126485512
Energy: 1.4078253709873116
Energy: 1.3345934126494035
Energy: 1.3550195134654963
Energy: 1.334065013409697
Energy: 1.4098566318459675
Energy: 1.3340650134105492
Energy: 1.3147478276502091
Energy: 1.210805459449841
Energy: 1.2492086950664423
Energy: 1.2108054594489885
Energy: 1.3154073998639952
Energy: 1.207378427144938
Energy: 1.2079244970572587
Energy: 1.2073784271645434
Energy: 1.2170907300678908
Energy: 1.2822218917806867
Energy: 1.3520706372325502
Energy: 1.282221891819006
Energy: 1.3041294257017548
Energy: 1.4505285217591493
Energy: 1.2831793104137315
Energy: 1.4505285217591493
Energy: 1.211803770170856
Energy: 1.2384628989945496
Energy: 1.4288377646780055
Energy: 1.2384628989936974
Energy: 1.2528452100764802
Energy: 1.2483237989717426
Energy: 1.2394471096816417
Energy: 1.2483237989708902
Energy: 1.3641922907116064
Energy: 1.365445293443189
Energy: 1.3537460090670723
Energy: 1.365445293443189
Energy: 1.3261112229085537
Energy: 1.3152522921909648
Energy: 1.314850210896397
Energy: 1.315252292191817
Energy: 1.2407814283566838
Energy: 1.2378034251147618
Energy: 1.3138893863631107
Energy: 1.2378034251156145
Energy: 1.244800734668737
Energy: 1.242513824326277
Energy: 1.3508194763002033
Energy: 1.2425138242231748
Energy: 1.2010795737917257
Energy: 1.2520127556305298
Energy: 1.2383881811353388
Energy: 1.2520127549276063
Energy: 1.2418842628518671
Energy: 1.2454822735060458
Energy: 1.235883346892177
Energy: 1.2454822735060458
Energy: 1.2408540650145055
Energy: 1.2843844291609172
Energy: 1.2363978234879076
Energy: 1.2843844291609172
Energy: 1.6822262870457092
Energy: 1.3149009374353642
Energy: 1.3141853847029303
Energy: 1.3149009374362166

minimum gb energy = 1.2006021140530747 eV
minimum distance =  2.28290065095556 Angstroms
sigma value = 53


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

Energy: 1.5996308094159863
Energy: 1.5109325916170149
Energy: 1.2531059724763205
Energy: 1.6171156055526312
Energy: 1.252961180947029
Energy: 1.2525274305941874
Energy: 1.2546194584946344
Energy: 1.2525274305529777
Energy: 1.2511699046707911
Energy: 1.2526453433776028
Energy: 1.27483436833996
Energy: 1.2526453433776028
Energy: 1.2542440188935218
Energy: 1.2532188264517987
Energy: 1.2513185598695553
Energy: 1.2532188264517987
Energy: 1.2769672283414975
Energy: 1.2273951670912033
Energy: 1.1449967660556517
Energy: 1.227395167089241
Energy: 1.2510181695751135
Energy: 1.2296539308500616
Energy: 1.1448120668947954
Energy: 1.2296539308598735
Energy: 1.3465340815572415
Energy: 1.2511997392677343
Energy: 1.2545784085441585
Energy: 1.251199739269697
Energy: 1.344081215005631
Energy: 1.4287810632591311
Energy: 1.2501439019644907
Energy: 1.428781063257169
Energy: 1.2540716819343298
Energy: 1.5115660550335541
Energy: 1.3105163969928622
Energy: 1.5115660550335541
Energy: 1.2518915118059772
Energy: 1.2519622396267145
Energy: 1.2536466655811933
Energy: 1.2519622396267145
Energy: 1.273370335268795
Energy: 1.3811890709886574
Energy: 1.1699911892004948
Energy: 1.3811890709984693
Energy: 1.2538604219315528
Energy: 1.275514853083931
Energy: 1.147601547846098
Energy: 1.2755169833685711
Energy: 1.3446144867279994
Energy: 1.2534028785868783
Energy: 1.250366922295104
Energy: 1.2534028785868783

minimum gb energy = 1.1448120668947954 eV
minimum distance =  2.30511582722339 Angstroms
sigma value = 9


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

Energy: 1.5745482034472154
Energy: 1.4067560984961296
Energy: 1.5100941686174003
Energy: 1.3565293989945157
Energy: 1.3004198966219407
Energy: 1.3915087763041003
Energy: 1.4618508692964935
Energy: 1.3915087762329879
Energy: 1.2211040625912335
Energy: 1.2224625931541575
Energy: 1.4307773104142676
Energy: 1.2224625931519788
Energy: 1.226542557621631
Energy: 1.2221864419207145
Energy: 1.441445196144847
Energy: 1.2221864419163566
Energy: 1.2245257970958308
Energy: 1.221792952415557
Energy: 1.4412991455561253
Energy: 1.2217929524148305
Energy: 1.2964047575778959
Energy: 1.3933058412383283
Energy: 1.4448511856081363
Energy: 1.3933058412383283
Energy: 1.459862695755574
Energy: 1.3596946429608654
Energy: 1.456460319535301
Energy: 1.3596946429615917
Energy: 1.4604942821936386
Energy: 1.359245044031504
Energy: 1.3593630745098968
Energy: 1.3592450440307777
Energy: 1.2560269007951614
Energy: 1.4158746178932138
Energy: 1.292106789829294
Energy: 1.4158746178946662
Energy: 1.2154761177644617
Energy: 1.294718395486923
Energy: 1.365726297264592
Energy: 1.294718395487649
Energy: 1.2516291246522884
Energy: 1.2525679072760798
Energy: 1.469817087223397
Energy: 1.2525679072753535
Energy: 1.418168749711624
Energy: 1.2550707100747267
Energy: 1.4371338746411364
Energy: 1.255070710063106
Energy: 1.4601487375866733
Energy: 1.2546406150244795
Energy: 1.4240947998560822
Energy: 1.2546406150215743
Energy: 1.4602386934068072
Energy: 1.2536229216713235
Energy: 1.2582021005661326
Energy: 1.2536229216705972
Energy: 1.3581956183749668
Energy: 1.2976008103669403
Energy: 1.2632654778065868
Energy: 1.2976008101985024
Energy: 1.3640718391020157
Energy: 1.3528775645946074
Energy: 1.3030717473158604
Energy: 1.3528775645953337
Energy: 1.3648164824293074
Energy: 1.3649138151340126
Energy: 1.2579342903200827
Energy: 1.364913815133286
Energy: 1.3583785936058304
Energy: 1.3605254773240527
Energy: 1.438012272124644
Energy: 1.3605254773240527
Energy: 1.4603713137379197
Energy: 1.3600499607457164
Energy: 1.3646443208299193
Energy: 1.360049960775495
Energy: 1.4135579385661408
Energy: 1.4506998282319887
Energy: 1.2248748354061407
Energy: 1.45069982822981
Energy: 1.4607177997961436
Energy: 1.2228023014591776
Energy: 1.2285577261996967
Energy: 1.2228023014577252
Energy: 1.4448248272266373
Energy: 1.2303821935697943
Energy: 1.2219191143162682
Energy: 1.2303821935654367
Energy: 1.4518550284479868
Energy: 1.3938775540626005
Energy: 1.2953443174861552
Energy: 1.393877554053885
Energy: 1.455398464269455
Energy: 1.3589635903264004
Energy: 1.461476690292119
Energy: 1.358963590325674
Energy: 1.3601208770988826
Energy: 1.3592074167452783
Energy: 1.4606656418018793
Energy: 1.359207416744552
Energy: 1.2933362456174406
Energy: 1.4164146783329032
Energy: 1.255213854744329
Energy: 1.4164146783314506
Energy: 1.3660251604334523
Energy: 1.3003672058892335
Energy: 1.21479936134648
Energy: 1.3003672059262754
Energy: 1.4693307441695187
Energy: 1.2563612984153414
Energy: 1.2532122454760917
Energy: 1.2563612984160677
Energy: 1.4421400571437861
Energy: 1.2555147383765166
Energy: 1.4196563884731888
Energy: 1.2555147383765166
Energy: 1.4266278077540493
Energy: 1.2547235155027778
Energy: 1.4607648741873913
Energy: 1.2547235155013254
Energy: 1.258143858185326
Energy: 1.2571694972917988
Energy: 1.4281718869496092
Energy: 1.2571694972917988
Energy: 1.2596565005659148
Energy: 1.3137600866617647
Energy: 1.3592094629775575
Energy: 1.3137600866356174
Energy: 1.300400134983912
Energy: 1.458505375402855
Energy: 1.3640337750667462
Energy: 1.458505375402855
Energy: 1.2555845845455824
Energy: 1.364092764116259
Energy: 1.2905427074031317
Energy: 1.3640927641496694
Energy: 1.4385447320712192
Energy: 1.3594779961460695
Energy: 1.366717623290552
Energy: 1.3594779961453431

minimum gb energy = 1.21479936134648 eV
minimum distance =  2.28004727131825 Angstroms
sigma value = 73


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

Energy: 1.5020471152064692
Energy: 1.3139834640111538
Energy: 1.4769469678243605
Energy: 1.2428502175089187
Energy: 1.3385580193103193
Energy: 1.4088238572796046
Energy: 1.4416310879191774
Energy: 1.4088238572807572
Energy: 1.2425752813342361
Energy: 1.439003017358248
Energy: 1.3384225108074648
Energy: 1.4390030173570958
Energy: 1.2116042683986388
Energy: 1.212599539474814
Energy: 1.4115179796412067
Energy: 1.212599539474814
Energy: 1.213363038775925
Energy: 1.2125003534065442
Energy: 1.4258125015275422
Energy: 1.2125003534065442
Energy: 1.3403644892142972
Energy: 1.4340260403105316
Energy: 1.4257585156068378
Energy: 1.4340260403105316
Energy: 1.4521673463441371
Energy: 1.3142520742376647
Energy: 1.440199419837112
Energy: 1.3142520742365125
Energy: 1.4525163646223758
Energy: 1.3139158807109426
Energy: 1.312223995382408
Energy: 1.3139158807097902
Energy: 1.314839582625561
Energy: 1.3579543790144295
Energy: 1.3342304422405786
Energy: 1.3579543790155821
Energy: 1.2036916951294105
Energy: 1.3579499251852443
Energy: 1.322858352130993
Energy: 1.3579499251852443
Energy: 1.312148028580628
Energy: 1.3138711059477404
Energy: 1.458368511931753
Energy: 1.3138711059477404
Energy: 1.441232001595511
Energy: 1.314382537544807
Energy: 1.4263331499492382
Energy: 1.314382537548264
Energy: 1.3199957096501698
Energy: 1.4349887030646997
Energy: 1.3400196101601283
Energy: 1.4349887030658521
Energy: 1.3281303104983917
Energy: 1.2108378338972288
Energy: 1.2113314283824468
Energy: 1.2108378338972288
Energy: 1.4110799214594538
Energy: 1.2242819650423427
Energy: 1.2113369933810945
Energy: 1.2242819650423427
Energy: 1.4284886752631896
Energy: 1.210958020755165
Energy: 1.2113860719096743
Energy: 1.210958020751734
Energy: 1.4272707185845828
Energy: 1.4099734044902748
Energy: 1.3388165314763052
Energy: 1.4099734044902748
Energy: 1.3395291145134405
Energy: 1.3222286866298012
Energy: 1.8061582167319281
Energy: 1.322228686628649
Energy: 1.3141587279115063
Energy: 1.315745587631269
Energy: 1.4568328585896073
Energy: 1.315745587631269
Energy: 1.332435414482149
Energy: 1.3589087397676771
Energy: 1.3336809001533636
Energy: 1.3589087412040293
Energy: 1.3139496752043545
Energy: 1.3318932808225312
Energy: 1.2044788682965941
Energy: 1.3318946195100507
Energy: 1.4268169610228358
Energy: 1.313472215460803
Energy: 1.3142662606570514
Energy: 1.3134722154538891

minimum gb energy = 1.2036916951294105 eV
minimum distance =  2.27880987499787 Angstroms
sigma value = 7


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

Energy: 1.8929371754216842
Energy: 1.3229711115139302
Energy: 1.5122378984858644
Energy: 1.2419805402597035
Energy: 1.3241156477355167
Energy: 1.5762435845290077
Energy: 1.4406522853238863
Energy: 1.576243584527378
Energy: 1.2502391069476888
Energy: 1.3932240094072648
Energy: 1.3391880816227895
Energy: 1.3932240094048203
Energy: 1.2329428291608602
Energy: 1.2305532170198716
Energy: 1.4403842041664743
Energy: 1.2305532170125382
Energy: 1.2421320123039836
Energy: 1.24082890718988
Energy: 1.4340057205333077
Energy: 1.240828907193102
Energy: 1.435035012668073
Energy: 1.2384274919768579
Energy: 1.4143919522202035
Energy: 1.2384274919540423
Energy: 1.4827964892098489
Energy: 1.239955865051232
Energy: 1.432738185724038
Energy: 1.239955865051232
Energy: 1.4503415739646115
Energy: 1.239073483316429
Energy: 1.2393959619022126
Energy: 1.2390734833139847
Energy: 1.4479266581364165
Energy: 1.2294298594556081
Energy: 1.2284763221140318
Energy: 1.2294298594547932
Energy: 1.4478906468970805
Energy: 1.3927029862746512
Energy: 1.24993104484765
Energy: 1.3927029862762808
Energy: 1.4403717462102532
Energy: 1.3296535656817328
Energy: 1.4326274043761285
Energy: 1.3296535656784734
Energy: 1.3450962128815194
Energy: 1.3304663749878602
Energy: 1.6678796758317267
Energy: 1.330466375004157
Energy: 1.337213630191327
Energy: 1.3487131550173355
Energy: 1.3344309032332657
Energy: 1.3487131550010387
Energy: 1.3380209994531804
Energy: 1.3044834555550164
Energy: 1.2440043587738576
Energy: 1.3044834555550164
Energy: 1.3335055226805104
Energy: 1.333182358233638
Energy: 1.2590520676462944
Energy: 1.333182357270096
Energy: 1.4757817569248475
Energy: 1.3308254864667661
Energy: 1.3449594293316738
Energy: 1.3308254852312174
Energy: 1.4742032623215064
Energy: 1.32938051502138
Energy: 1.4408201910637508
Energy: 1.3293805150205653
Energy: 1.2403256821146267
Energy: 1.392938491831473
Energy: 1.342278617596475
Energy: 1.392938491825769
Energy: 1.229751281520251
Energy: 1.2300938623201765
Energy: 1.4434027831581175
Energy: 1.2300938623201765
Energy: 1.23850860516515
Energy: 1.2389164045150425
Energy: 1.473350316020475
Energy: 1.2389164045150425
Energy: 1.432971963469503
Energy: 1.2400025937216046
Energy: 1.4354035666796374
Energy: 1.2400025937354195
Energy: 1.4478959235426767
Energy: 1.2393491350626373
Energy: 1.4351149700289942
Energy: 1.2393491350658967
Energy: 1.4469871378330548
Energy: 1.2396921869195014
Energy: 1.240836853448591
Energy: 1.2396921869211313
Energy: 1.4401808654067816
Energy: 1.2316526144050126
Energy: 1.232715174110902
Energy: 1.231652614403383
Energy: 1.4394479533990774
Energy: 1.4638006210182009
Energy: 1.2477563615895422
Energy: 1.463800621013312
Energy: 1.4052003820590608
Energy: 1.37747960505349
Energy: 1.3240009004007034
Energy: 1.3774796050518605
Energy: 1.3285291859303858
Energy: 1.330350046513591
Energy: 1.671027059218668
Energy: 1.3303500007850344
Energy: 1.3334531799334086
Energy: 1.33557114614195
Energy: 1.3298770884595943
Energy: 1.3355711461411353
Energy: 1.3404592903593784
Energy: 1.4706297128988528
Energy: 1.3454272380129102
Energy: 1.470629712897223
Energy: 1.3286692338068478
Energy: 1.339733910047747
Energy: 1.2406672455769205
Energy: 1.339733910051821
Energy: 1.4744807922942855
Energy: 1.329111892436614
Energy: 1.33252952563312
Energy: 1.3291118924260215

minimum gb energy = 1.2284763221140318 eV
minimum distance =  2.2741748440503 Angstroms
sigma value = 29


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

Energy: 1.1559517946725486
Energy: 1.2498146808470798
Energy: 1.174461711549533
Energy: 1.1574133772737918
Energy: 1.1898467875907148
Energy: 1.265180085263193
Energy: 1.1734554807564082
Energy: 1.265180085262373
Energy: 1.1738662919025467
Energy: 1.2454357006475434
Energy: 1.1687203170565776
Energy: 1.2454357006470074
Energy: 1.1792041509795488
Energy: 1.1754947625122338
Energy: 1.188477860968256
Energy: 1.1754947621799001
Energy: 1.1746123126862513
Energy: 1.1746247319797658
Energy: 1.159156274154867
Energy: 1.1746247319803018
Energy: 1.1873180775486147
Energy: 1.261970263159045
Energy: 1.1762256538447051
Energy: 1.2619702631587613
Energy: 1.170048532490332
Energy: 1.2462644535260874
Energy: 1.1759112595606773
Energy: 1.2462644535258034
Energy: 1.1728567181923384
Energy: 1.1734585788878633
Energy: 1.1764263517659506
Energy: 1.1734585788878633
Energy: 1.1745093059915648
Energy: 1.2424147479501717
Energy: 1.1698329266818033
Energy: 1.2424147479468604

minimum gb energy = 1.1559517946725486 eV
minimum distance =  2.31148239182737 Angstroms
sigma value = 5


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

Energy: 1.6740534623777346
Energy: 1.11302777512885
Energy: 1.382841030882593
Energy: 1.0815279128171
Energy: 1.4705368560715704
Energy: 1.3638825750018564
Energy: 1.394464873117753
Energy: 1.363882575002626
Energy: 1.3952203913598293
Energy: 1.3629692912985298
Energy: 1.3713217860495839
Energy: 1.36296929129776
Energy: 1.1430679895659877
Energy: 1.3633547433408293
Energy: 1.3767559960326794
Energy: 1.36335474333852
Energy: 1.342592035846056
Energy: 1.112682415226548
Energy: 1.510309616129087
Energy: 1.1126824152318657
Energy: 1.1194524379265054
Energy: 1.1225049452730378
Energy: 1.5070472770350365
Energy: 1.1225049452714984
Energy: 1.1115852717027979
Energy: 1.1138151988186944
Energy: 1.4712432680126626
Energy: 1.113815198819464
Energy: 1.1455188747608371
Energy: 1.3604426773488327
Energy: 1.5934653448259566
Energy: 1.3604426773488327
Energy: 1.4058566683705556
Energy: 1.3568093964237797
Energy: 1.5857764303799924
Energy: 1.3568093964245491
Energy: 1.4063484462988156
Energy: 1.0872370409317988
Energy: 1.0885145538907888
Energy: 1.0872370409317988
Energy: 1.402025703052734
Energy: 1.0884248740225995
Energy: 1.0878878011031408
Energy: 1.0884248740218296
Energy: 1.589530135672143
Energy: 1.087357751364339
Energy: 1.0929979280926179
Energy: 1.0873577513627997
Energy: 1.6245034418874666
Energy: 1.0884906960943814
Energy: 1.2887053251194878
Energy: 1.0884906960936118
Energy: 1.3951137033864665
Energy: 1.358220001163331
Energy: 1.3763989253548763
Energy: 1.3582200011641008
Energy: 1.1154523704369232
Energy: 1.111508191322126
Energy: 1.3553389722222364
Energy: 1.1115081913213567
Energy: 1.1439249438175172
Energy: 1.1206439181124577
Energy: 1.471393915708844
Energy: 1.1206439181170758
Energy: 1.1109582738946717
Energy: 1.113090828914206
Energy: 2.045429844921866
Energy: 1.1130908289080486
Energy: 1.393102308398776
Energy: 1.1224458093549192
Energy: 1.4013981294167388
Energy: 1.122445809355689
Energy: 1.4066070045489028
Energy: 1.3631746298964558
Energy: 1.3941221181859131
Energy: 1.3631746298956862
Energy: 1.3765095244649284
Energy: 1.3636152211826578
Energy: 1.138788991089965
Energy: 1.3636152211834274
Energy: 1.5070606874768466
Energy: 1.1231331008387386
Energy: 1.3438109054715628
Energy: 1.1231331008387386
Energy: 1.3711176805919136
Energy: 1.1118603394509365
Energy: 1.11848634934314
Energy: 1.111860339449397
Energy: 1.469557702847935
Energy: 1.1184785160753035
Energy: 1.1209687796854813
Energy: 1.1184785160791522
Energy: 1.5983388982990163
Energy: 1.3597117034629687
Energy: 1.1462139335146693
Energy: 1.3597117034660473
Energy: 1.5895893960077707
Energy: 1.3601185568722547
Energy: 1.402319729096116
Energy: 1.3601185568722547
Energy: 1.0916590484215054
Energy: 1.0881898254322206
Energy: 1.4065906738521088
Energy: 1.0881898254322206
Energy: 1.0872470170393644
Energy: 1.0888200837243847
Energy: 1.4055018318917412
Energy: 1.0888200837236148
Energy: 1.0892234549709425
Energy: 1.0883560823168756
Energy: 1.414681287067607
Energy: 1.0883560823168756
Energy: 1.09153697412931
Energy: 1.089012803870692
Energy: 1.617252083116721
Energy: 1.0890128038653042
Energy: 1.370754468407248
Energy: 1.3577280563985261
Energy: 1.396369749328414
Energy: 1.357728056406993
Energy: 1.370829300528579
Energy: 1.1199777320513122
Energy: 1.1417271283584591
Energy: 1.1199777320506124
Energy: 1.4720656370826872
Energy: 1.1232110315407704
Energy: 1.1418711974154578
Energy: 1.1232110315415402
Energy: 1.147938459907394
Energy: 1.1128463803395596
Energy: 1.109955741293603
Energy: 1.1128463800987103

minimum gb energy = 1.0815279128171 eV
minimum distance =  2.28603851142266 Angstroms
sigma value = 1


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

Energy: 1.7292594005463893
Energy: 1.0442004863017877
Energy: 1.3301332946135647
Energy: 1.0156337924620773
Energy: 1.547477714066007
Energy: 1.3580938129196605
Energy: 1.4209615709432455
Energy: 1.3580938129196605
Energy: 1.3931595850164118
Energy: 1.3574850188646266
Energy: 1.3916466529387068
Energy: 1.357485018865691
Energy: 1.0722761860416208
Energy: 1.3568446592690786
Energy: 1.4042616427845276
Energy: 1.3568446592669503
Energy: 1.0462578989775924
Energy: 1.044120832460709
Energy: 1.5765802398665756
Energy: 1.044120832460709
Energy: 1.0429415963515494
Energy: 1.0445866268188593
Energy: 1.5639430727574277
Energy: 1.0445866268177948
Energy: 1.0405387535817145
Energy: 1.0436958470942426
Energy: 1.5446658290315827
Energy: 1.0436958470963709
Energy: 1.0481542781578248
Energy: 1.335166789678125
Energy: 1.7163842968983805
Energy: 1.3351667896791894
Energy: 1.5449937699718737
Energy: 1.3336677431166535
Energy: 1.6908695087459384
Energy: 1.3336677431155894
Energy: 1.4394371974972875
Energy: 1.3357804047629411
Energy: 1.081007053450716
Energy: 1.335780404767198
Energy: 1.5665922144479352
Energy: 1.043439378275562
Energy: 1.039507590277442
Energy: 1.043439378275562
Energy: 1.6946822622955173
Energy: 1.0477462343013806
Energy: 1.0458699978073065
Energy: 1.0477462343013806
Energy: 1.6905438609768655
Energy: 1.0442985857461282
Energy: 1.0499675344486536
Energy: 1.0442985857471923
Energy: 1.3652197895844032
Energy: 1.3568479522280494
Energy: 1.3910864359287316
Energy: 1.3568479522280494
Energy: 1.0763289212034033
Energy: 1.3574062760678216
Energy: 1.3929726479141535
Energy: 1.3574062760667576
Energy: 1.069350027120073
Energy: 1.3576000444793122
Energy: 1.5468277589001305
Energy: 1.3576000444803766
Energy: 1.046944560190849
Energy: 1.0418187131669376
Energy: 1.5657100554195718
Energy: 1.0418187131658736
Energy: 1.0785563389379553
Energy: 1.0474055146860886
Energy: 1.577729478077541
Energy: 1.0474055146871526
Energy: 1.0403926401938415
Energy: 1.0426879946996233
Energy: 1.6893782210999424
Energy: 1.042687994698559
Energy: 1.0828988824721235
Energy: 1.3352365848509655
Energy: 1.694571858106346
Energy: 1.3352365848509655
Energy: 1.376470356676836
Energy: 1.3347514497019406
Energy: 1.546239491969101
Energy: 1.3347514497008766
Energy: 1.389312981730461
Energy: 1.3359072497851627
Energy: 1.0471704953861636
Energy: 1.3359072497862272
Energy: 1.54443060286828
Energy: 1.0441588895566827
Energy: 1.0455548680404652
Energy: 1.0441588895566827
Energy: 1.6890849807062132
Energy: 1.0444311420179186
Energy: 1.0405514734925552
Energy: 1.044431142014726

minimum gb energy = 1.0156337924620773 eV
minimum distance =  2.29004042132563 Angstroms
sigma value = 17


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

Energy: 1.822404686011479
Energy: 1.032244584276953
Energy: 1.340319033434183
Energy: 1.0089659745601647
Energy: 1.3613159932533283
Energy: 1.2446798288133751
Energy: 1.2802875934371423
Energy: 1.2446798288140328
Energy: 1.4057859159691142
Energy: 1.2452469992782143
Energy: 1.2645824377017651
Energy: 1.2452469992775566
Energy: 1.4778505196829426
Energy: 1.2753191089106917
Energy: 1.2222759574027984
Energy: 1.2753191089008247
Energy: 1.2102454894700034
Energy: 1.0076217381703447
Energy: 1.6391454442758369
Energy: 1.0076217381683714
Energy: 1.0107830388510486
Energy: 1.0071863572745419
Energy: 1.5594650936466283
Energy: 1.0071863572751998
Energy: 1.021224633916878
Energy: 1.0103211590373622
Energy: 1.3351251197954968
Energy: 1.0103211590399932
Energy: 1.022456594314115
Energy: 1.0096139487784253
Energy: 1.8145227209058272
Energy: 1.0096139487751359
Energy: 1.404746121194685
Energy: 1.0112456605539912
Energy: 1.3437108932246067
Energy: 1.0112456605559648
Energy: 1.2689571729974587
Energy: 1.2751879647447504
Energy: 1.2583740793703573
Energy: 1.275187964745408
Energy: 1.4033559782139953
Energy: 1.244317726085734
Energy: 1.042440718637767
Energy: 1.2443177261153346
Energy: 1.5564352076180177
Energy: 1.0370634710894882
Energy: 1.225138106797569
Energy: 1.0370634710894882
Energy: 1.7359617419915565
Energy: 1.0252136869515238
Energy: 1.0241593744135558
Energy: 1.025213686950866
Energy: 1.362218239554245
Energy: 1.0278147071964576
Energy: 1.0306748593704946
Energy: 1.0278147071306785
Energy: 1.4755247682601174
Energy: 1.2500727324716234
Energy: 1.0497615938838025
Energy: 1.2500727324709655
Energy: 1.7963599788622928
Energy: 1.2504802378172455
Energy: 1.3678373092181753
Energy: 1.2504802378159299
Energy: 1.028209416126106
Energy: 1.0319721505249408
Energy: 1.6572447654418352
Energy: 1.0319721505144162
Energy: 1.0255415200349471
Energy: 1.028039325094637
Energy: 1.3743884783335012
Energy: 1.028039325094637
Energy: 1.0856869911111162
Energy: 1.0330783178754663
Energy: 1.34298717055432
Energy: 1.0330783178754663
Energy: 1.2182431073424018
Energy: 1.0294635189265613
Energy: 1.8118623065377115
Energy: 1.0294635190324062
Energy: 1.23473974459287
Energy: 1.2440382958752507
Energy: 1.3603180265269266
Energy: 1.24403829587848
Energy: 1.264608107141584
Energy: 1.242958340557707
Energy: 1.4671906254983185
Energy: 1.242958339882454
Energy: 1.2239222778537575
Energy: 1.4631266579856588
Energy: 1.4756068333710466
Energy: 1.4631266579850009
Energy: 1.6419517295025885
Energy: 1.0093880502475834
Energy: 1.209659906118233
Energy: 1.009388050248241
Energy: 1.5564588306436629
Energy: 1.0093973076807992
Energy: 1.0184994467852975
Energy: 1.009397307681457
Energy: 1.3364992978128625
Energy: 1.0079559710299308
Energy: 1.0200254413015724
Energy: 1.0079559710319042
Energy: 1.8178906460786834
Energy: 1.0113699103165479
Energy: 1.0254220773743379
Energy: 1.0113699103172056
Energy: 1.3419997743697565
Energy: 1.4605610777279814
Energy: 1.6092397327995798
Energy: 1.4605610777299551
Energy: 1.272452967190391
Energy: 1.464433899509709
Energy: 1.270462220515423
Energy: 1.4644338995090511
Energy: 1.0459467518539485
Energy: 1.2443235319002153
Energy: 1.3987470047186767
Energy: 1.2443235318995576
Energy: 1.2274391307095287
Energy: 1.0389960183281721
Energy: 1.5588161122892819
Energy: 1.03899601832883
Energy: 1.0266928454503261
Energy: 1.025857787297493
Energy: 1.5569783035494396
Energy: 1.0258577873053862
Energy: 1.025999626310825
Energy: 1.0293775205795421
Energy: 1.3643186828520666
Energy: 1.0293775205776285
Energy: 1.076991311504138
Energy: 1.2496319973571952
Energy: 1.477524086631564
Energy: 1.2496319973571952
Energy: 1.3718356613918925
Energy: 1.2477524165120093
Energy: 1.7935772656720943
Energy: 1.2477524165113514
Energy: 1.656599159559394
Energy: 1.0433640138789406
Energy: 1.0294143848533626
Energy: 1.0433640138322973
Energy: 1.370909296679316
Energy: 1.0254837232134264
Energy: 1.0245147929412306
Energy: 1.0254837232127683
Energy: 1.345831656241722
Energy: 1.0485692762459733
Energy: 1.038612555505664
Energy: 1.048569276246631

minimum gb energy = 1.0071863572745419 eV
minimum distance =  2.28685613934475 Angstroms
sigma value = 89


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

Energy: 2.1045592325806557
Energy: 0.9156197650227546
Energy: 0.9176719085172034
Energy: 0.9547631655967075
Energy: 0.9184781256687816
Energy: 1.009435148129791
Energy: 0.972449927919676
Energy: 1.009435148129791
Energy: 0.9079456209645939
Energy: 1.010991124824629
Energy: 0.9414954425984096
Energy: 1.010991124824629
Energy: 0.90928430562116
Energy: 1.0104679743061766
Energy: 0.9157250758836439
Energy: 1.0104679743061766
Energy: 0.9147992895868776
Energy: 0.9142444957828443
Energy: 1.399525934915222
Energy: 0.9142444957828443
Energy: 0.9562455398042424
Energy: 0.913547472592284
Energy: 1.3975693449212736
Energy: 0.913547472592284
Energy: 0.956055573261538
Energy: 0.9126903366501218
Energy: 0.9172574987210332
Energy: 0.9126903366484007
Energy: 0.9135200008404145
Energy: 0.9165128284745925
Energy: 0.916618650976992
Energy: 0.9165128284745925
Energy: 0.9137648992589147
Energy: 0.9153372835626582
Energy: 0.9075329470015081
Energy: 0.9153372835626582
Energy: 0.9414984645198388
Energy: 1.0110112252242118
Energy: 0.9192404216497624
Energy: 1.0110112252242118
Energy: 0.9183740698695995
Energy: 1.0125937252665493
Energy: 0.9062450473345967
Energy: 1.012593725261386
Energy: 0.9119963759402612
Energy: 0.9135347087936844
Energy: 0.9182907308073572
Energy: 0.9135347087936844
Energy: 1.3995745163201203
Energy: 0.9154098136403919
Energy: 0.9570792041667902
Energy: 0.9154098136403919
Energy: 0.9163758230975788
Energy: 0.9123714782625058
Energy: 0.9117850316936521
Energy: 0.9123714782625058
Energy: 0.9073012402450121
Energy: 0.9143405238751487
Energy: 0.9159030809014194
Energy: 0.9143405238734277

minimum gb energy = 0.9062450473345967 eV
minimum distance =  2.31630086629032 Angstroms
sigma value = 13


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

Energy: 1.8487024087895845
Energy: 0.8702219195738535
Energy: 1.232078329586563
Energy: 0.8795257245905472
Energy: 1.673691284604885
Energy: 0.8677930957613743
Energy: 1.0859692067778997
Energy: 0.8677930957563247
Energy: 1.7168477439553584
Energy: 0.8640326035603703
Energy: 1.115159165423779
Energy: 0.8640326035466639
Energy: 1.363923025044623
Energy: 0.8675505347995051
Energy: 1.2941916432235732
Energy: 0.8675505348002265
Energy: 1.4724732840481127
Energy: 0.8658996960072822
Energy: 1.5423793749786068
Energy: 0.8658996960022325
Energy: 1.0918968381034346
Energy: 0.8651975072485627
Energy: 1.5094031982233007
Energy: 0.8651975072492839
Energy: 1.0917765104699122
Energy: 0.8641397981383278
Energy: 1.4691238569069254
Energy: 0.8641397981325566
Energy: 1.0944513316631868
Energy: 0.8673471288177799
Energy: 1.9978115272854131
Energy: 0.8673471288156157
Energy: 0.864601463703225
Energy: 0.8677292422917112
Energy: 1.8645685638703895
Energy: 0.8677292422917112
Energy: 0.8648771829683344
Energy: 0.8651677993860877
Energy: 1.4186939544824098
Energy: 0.8651677993896947
Energy: 0.8972843484072334
Energy: 1.110549296929794
Energy: 1.848982947608605
Energy: 1.1105492969305155
Energy: 1.5107770292428897
Energy: 0.9144079988489281
Energy: 1.476362774436447
Energy: 0.9144079988496495
Energy: 1.5447282294908136
Energy: 0.9136788616872964
Energy: 1.2960259468354327
Energy: 0.9136788616858537
Energy: 1.3017879690288152
Energy: 0.9163793552339642
Energy: 1.3663283069026826
Energy: 0.9163793552310786
Energy: 1.897169963357124
Energy: 0.8675075321882058
Energy: 1.2949210915841067
Energy: 0.8675075321845989
Energy: 1.8960560440275522
Energy: 0.8669486537416069
Energy: 0.8696269373742609
Energy: 0.8669486537423282
Energy: 1.8504382499267216
Energy: 0.8652878446424336
Energy: 0.8681542675782045
Energy: 0.8652878446438763
Energy: 1.7341789800065868
Energy: 0.8675488454639694
Energy: 0.8696969152351743
Energy: 0.8675488454610839
Energy: 2.0579893850868087
Energy: 0.8668024266594107
Energy: 1.083115278082656
Energy: 0.8668024268418556
Energy: 1.4761577103500778
Energy: 0.8641915394369506
Energy: 1.1183498727435126
Energy: 0.864191539437672
Energy: 1.363423955118419
Energy: 1.1119841612761123
Energy: 1.086883709745507
Energy: 1.1119841612753911
Energy: 1.4759837928336517
Energy: 0.8644971662196752
Energy: 1.5082946442077731
Energy: 0.8644971662203966
Energy: 1.1109627273355593
Energy: 0.8668723888775312
Energy: 1.5401335819699382
Energy: 0.8668723888760883
Energy: 0.8732021293970387
Energy: 0.8637673194580691
Energy: 1.4695039793767788
Energy: 0.863767319452298
Energy: 1.0891443943141772
Energy: 0.8661192201573003
Energy: 1.9008010651255078
Energy: 0.8661192201558574
Energy: 0.8669766411395008
Energy: 0.8915193580512639
Energy: 1.8920638203747646
Energy: 0.8915193580534282
Energy: 0.864925986441793
Energy: 0.8639520081964734
Energy: 1.8541758551092842
Energy: 0.8639520081950307
Energy: 0.8950644053136734
Energy: 0.8682039430110641
Energy: 1.734348090891942
Energy: 0.8682039430081785
Energy: 1.29716863772092
Energy: 0.8675397314158507
Energy: 1.6682413990549219
Energy: 0.8675397314180149
Energy: 1.1190334274893277
Energy: 0.9168957408258817
Energy: 1.29531387705923
Energy: 0.916895740826603
Energy: 1.293399351476394
Energy: 0.9226719522030528
Energy: 1.364806629097196
Energy: 0.9226719522189232
Energy: 1.8910967204697011
Energy: 0.8668989789296636
Energy: 1.2933271446950716
Energy: 0.8668989789311065
Energy: 1.8986186260466102
Energy: 0.8681433431493497
Energy: 0.8967117740391076
Energy: 0.8681433431507926
Energy: 1.850366651039019
Energy: 0.8637681727533821
Energy: 0.864775927025887
Energy: 0.8637681727512181
Energy: 2.0638228264986167
Energy: 0.8658995129590342
Energy: 0.8717281799137111
Energy: 0.8658995129583127

minimum gb energy = 0.863767319452298 eV
minimum distance =  2.30852069746564 Angstroms
sigma value = 37


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

Energy: 1.7892813588715217
Energy: 0.8055244854218659
Energy: 0.8079065807637307
Energy: 0.8170290847377977
Energy: 1.9718463264591692
Energy: 0.8050150191086978
Energy: 1.1996095246739393
Energy: 0.8050150191074567
Energy: 1.68907717532341
Energy: 0.8055377539181103
Energy: 1.1873951212723834
Energy: 0.8055377539019757
Energy: 1.6904619575967648
Energy: 0.9049583757259914
Energy: 1.3799220479227143
Energy: 0.9049583757272325
Energy: 1.6779621328751289
Energy: 0.7962107835174994
Energy: 1.3710042264326798
Energy: 0.7962107835174994
Energy: 1.1466049718262064
Energy: 0.7954887654681323
Energy: 0.995649696457164
Energy: 0.7954887654693734
Energy: 0.9873334702399293
Energy: 0.7963655138230108
Energy: 2.0057690363451703
Energy: 0.7963655138242519
Energy: 1.1417608573422022
Energy: 0.7774856692520424
Energy: 2.1438893675104165
Energy: 0.7774856692508013
Energy: 0.9710855033894052
Energy: 0.7966058561593987
Energy: 1.9835510344742262
Energy: 0.7966058561593987
Energy: 0.9720185810754817
Energy: 0.77571157340875
Energy: 2.1263846118712837
Energy: 0.77571157340875
Energy: 1.0054903003223465
Energy: 1.0173494260519127
Energy: 1.6160569842139123
Energy: 1.0173494260519127
Energy: 1.34915293863647
Energy: 0.7757369288878638
Energy: 2.125919294832776
Energy: 0.7757369288878638
Energy: 1.351281526808824
Energy: 0.7957728391739736
Energy: 1.688632183928979
Energy: 0.7957728391739736
Energy: 1.531155581791172
Energy: 0.8755720808185182
Energy: 1.762972031445993
Energy: 0.8755720808185182
Energy: 1.3710042264314386
Energy: 0.8946319871430833
Energy: 1.7080843516154725
Energy: 0.8946319869582413
Energy: 1.8157403054294847
Energy: 1.0738059687570365
Energy: 1.0072679662812232
Energy: 1.0738059687582775
Energy: 1.9715535904740986
Energy: 1.0732216410236515
Energy: 0.9929534769606456
Energy: 1.0732216410248925
Energy: 2.1438893675104165
Energy: 0.8085625001159665
Energy: 0.9946250026932769
Energy: 0.8085625001110022
Energy: 1.9835510344754672
Energy: 0.804838233452354
Energy: 0.8058810407276482
Energy: 0.8048382334535951
Energy: 1.9726387152818188
Energy: 0.8058599264655557
Energy: 0.8195229559028471
Energy: 0.8058599264655557

minimum gb energy = 0.77571157340875 eV
minimum distance =  2.29884215440393 Angstroms
sigma value = 25


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

Energy: 1.8878806975517068
Energy: 0.7316434385855949
Energy: 0.7043911640790206
Energy: 0.7427859661494218
Energy: 1.7898661531699032
Energy: 0.6983758445328709
Energy: 1.0082521652007093
Energy: 0.69837584453384
Energy: 1.7913987668069722
Energy: 0.6976496140606958
Energy: 1.0117944172027504
Energy: 0.6976496140597266
Energy: 1.311733221799117
Energy: 1.0121529287257753
Energy: 1.5335085918980602
Energy: 1.0121529287257753
Energy: 1.78754189677857
Energy: 1.0081674605290571
Energy: 1.5611459765936226
Energy: 1.0081674605290571
Energy: 1.316356972351045
Energy: 0.7731370209796794
Energy: 1.557403305258677
Energy: 0.7731370209796794
Energy: 1.3172656784276675
Energy: 0.7775968158731988
Energy: 1.7876924932046363
Energy: 0.7775968158731988
Energy: 1.3068042346340907
Energy: 0.7020625894649456
Energy: 1.6022031571405158
Energy: 0.7020625894659147
Energy: 1.0113254081697223
Energy: 0.6976308825964335
Energy: 2.0231669462272883
Energy: 0.6976308825974026
Energy: 1.0142701754525871
Energy: 0.698240198300657
Energy: 1.78708337514951
Energy: 0.6982401982967802
Energy: 0.6983442834166174
Energy: 0.73299884436286
Energy: 1.599094139175293
Energy: 0.73299884436286
Energy: 0.7022996201227995
Energy: 0.6985627214899315
Energy: 1.7868907279994157
Energy: 0.6985627214899315
Energy: 0.7002160472403208
Energy: 0.6999493845121634
Energy: 2.017198802688809
Energy: 0.6999493845121634
Energy: 0.99678879816504
Energy: 0.703207188089855
Energy: 1.890082001624642
Energy: 0.7032071880617498
Energy: 1.0101416418795512
Energy: 0.6972157918630048
Energy: 1.787970539317376
Energy: 0.6972157918620355
Energy: 1.0087384531677595
Energy: 0.6988272883302451
Energy: 1.7942903013869316
Energy: 0.6988272883292759
Energy: 1.5673467199640445
Energy: 1.0110004980404126
Energy: 1.7998602278403548
Energy: 1.0110004980404126
Energy: 1.0058182545700542
Energy: 1.0091737605240614
Energy: 1.7887155959017385
Energy: 1.0091737605230922
Energy: 1.5603217113856012
Energy: 0.7757676070712733
Energy: 1.3159922085751596
Energy: 0.7757676070509212
Energy: 1.7895938074384021
Energy: 1.0080854738752685
Energy: 1.3163812147738247
Energy: 1.0080854738752685
Energy: 1.599998423932981
Energy: 0.7317891472787892
Energy: 1.020594298072168
Energy: 0.7317891472787892
Energy: 2.0239187153861877
Energy: 0.6970001992137157
Energy: 0.6990673274789095
Energy: 0.6970001992137157
Energy: 2.0159562281894967
Energy: 0.699971447691592
Energy: 1.0149698744367057
Energy: 0.6999714476906229
Energy: 1.6018665174009183
Energy: 0.7039733500550172
Energy: 0.7071906034554754
Energy: 0.7039733500550172
Energy: 1.7856614121094392
Energy: 0.697903817733594
Energy: 0.6980166162968341
Energy: 0.697903817733594
Energy: 1.7896171113624504
Energy: 0.6987487457923277
Energy: 0.7040619251892117
Energy: 0.6987487457923277

minimum gb energy = 0.6970001992137157 eV
minimum distance =  2.31113857916209 Angstroms
sigma value = 41


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

Energy: 2.0474428928697432
Energy: 0.6683147757716507
Energy: 1.0493073358861773
Energy: 0.6784036482460594
Energy: 1.9329016508737191
Energy: 0.6389917754620618
Energy: 0.8957751398868143
Energy: 0.6389917754620618
Energy: 1.934758490165425
Energy: 0.6378046077162539
Energy: 0.9014838786348831
Energy: 0.6378046077170485
Energy: 1.5805851930268977
Energy: 0.6397761480333723
Energy: 1.3476839318375262
Energy: 0.6397761480293996
Energy: 1.9301939727813102
Energy: 0.6359219370991617
Energy: 1.3564862129241348
Energy: 0.6359219371023398
Energy: 1.5528627487063043
Energy: 0.9311351428551091
Energy: 1.3557879426674027
Energy: 0.9311351428551091
Energy: 1.5565962012369283
Energy: 0.7010464180679571
Energy: 1.738408004227472
Energy: 0.7010464180687517
Energy: 1.5433159982448206
Energy: 0.7014012218983063
Energy: 1.3543149620828523
Energy: 0.7014012236955676
Energy: 1.1535134880491444
Energy: 0.9305411115143355
Energy: 1.7464055395528135
Energy: 0.9305411115143355
Energy: 1.1542867139727568
Energy: 0.6364768904561723
Energy: 1.9321538111554324
Energy: 0.6364768904577613
Energy: 0.8965913247095436
Energy: 0.6446052074747302
Energy: 1.816036119854018
Energy: 0.6446052074636066
Energy: 0.8992182746242181
Energy: 0.6373159130424021
Energy: 2.12200923843416
Energy: 0.6373159130424021
Energy: 0.9005045454720795
Energy: 0.640309460337428
Energy: 2.120925026449208
Energy: 0.6403094603421952
Energy: 0.6481623464266862
Energy: 0.6432469316482934
Energy: 1.8148612639853487
Energy: 0.6432469316474988
Energy: 0.6395001338397761
Energy: 0.6398082092656858
Energy: 1.928846737567565
Energy: 0.6398082092640967
Energy: 0.6438211940300803
Energy: 0.640799769832192
Energy: 1.9365795364936134
Energy: 0.640799769832192
Energy: 0.8943916240127805
Energy: 0.6405651756932266
Energy: 1.9427413476390873
Energy: 0.640565175692432
Energy: 0.8810727186756624
Energy: 0.6372304344412564
Energy: 1.9275310601500732
Energy: 0.6372304344412564
Energy: 0.8880733182167116
Energy: 0.6394170868927981
Energy: 1.5545322555017038
Energy: 0.6394170868912089
Energy: 1.3648657082863576
Energy: 0.6400066533135491
Energy: 1.5526227265874235
Energy: 0.6400066533159328
Energy: 1.3547403397023026
Energy: 0.636482887356606
Energy: 1.7411128993976814
Energy: 0.6364828873574006
Energy: 1.3692861571011008
Energy: 0.7058084479743097
Energy: 1.5605759529571968
Energy: 0.7058084479758988
Energy: 1.7471298231074321
Energy: 1.1678188812437311
Energy: 1.5538681340626497
Energy: 1.1678188812429364
Energy: 1.3543915676541451
Energy: 0.7020958885867062
Energy: 1.3547655468584765
Energy: 0.7020958885970354
Energy: 1.7577177833959583
Energy: 0.6365565768687592
Energy: 1.1254003324845065
Energy: 0.6365565768703483
Energy: 1.7462708622206722
Energy: 0.640062536990345
Energy: 1.350876087141372
Energy: 0.640062536981605
Energy: 1.7503396003920748
Energy: 0.6400083127236829
Energy: 0.9093889263399259
Energy: 0.6400083126768046
Energy: 1.9269598196836593
Energy: 0.6369252078476634
Energy: 0.8838891814743707
Energy: 0.6369252078730886
Energy: 1.749079566146041
Energy: 0.6404721964805732
Energy: 0.8923156658338431
Energy: 0.640472197548803
Energy: 1.745177417539927
Energy: 0.6416852042029915
Energy: 0.6400902298994575
Energy: 0.6416852042014024
Energy: 2.1397638847787506
Energy: 0.638619755133938
Energy: 0.6385691811253901
Energy: 0.6386197551347326
Energy: 1.9475724384354913
Energy: 0.6422394943379586
Energy: 0.6500364676759208
Energy: 0.642239494338753

minimum gb energy = 0.6359219370991617 eV
minimum distance =  2.30807800956368 Angstroms
sigma value = 15


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

Energy: 1.7562469472239084
Energy: 0.6204120157137678
Energy: 1.008324122983938
Energy: 0.6258174449533503
Energy: 2.0264125868934015
Energy: 0.5914473235758022
Energy: 0.8110448161421261
Energy: 0.5914473235798408
Energy: 2.0299057121846027
Energy: 0.5903427706765783
Energy: 0.8151527377653732
Energy: 0.5903427706718666
Energy: 1.7592054363378136
Energy: 0.5920529071264328
Energy: 1.1982689551681303
Energy: 0.5920529059718975
Energy: 2.0234717270177343
Energy: 0.5891174663852733
Energy: 1.2044834000410845
Energy: 0.5891174663819078
Energy: 1.7061970389083974
Energy: 0.856343994551642
Energy: 1.2071079044965454
Energy: 0.856343994550296
Energy: 1.3747055152574963
Energy: 0.8606189212629253
Energy: 1.5415332555388008
Energy: 0.8606189212676368
Energy: 1.6986711317178982
Energy: 0.8594157223947143
Energy: 1.1858401241578256
Energy: 0.8594157224007721
Energy: 1.3743527219769929
Energy: 1.0898024505982786
Energy: 1.5457297835737003
Energy: 1.0898024505982786
Energy: 1.3743744766814299
Energy: 0.8568376584851242
Energy: 1.8711835563059571
Energy: 0.8568376584911821
Energy: 1.2016007824609554
Energy: 0.5948888811064682
Energy: 1.5656574099966625
Energy: 0.5948888812120823
Energy: 0.9993845550576366
Energy: 0.5883991793839469
Energy: 1.8737171140456925
Energy: 0.5883991793832739
Energy: 1.2091127321230777
Energy: 0.589489958298057
Energy: 1.8683315221891978
Energy: 0.5894899583020954
Energy: 0.820041773123257
Energy: 0.5923032494355623
Energy: 1.5671500601047668
Energy: 0.5923032492390808
Energy: 0.7950144578802216
Energy: 0.5898200881601617
Energy: 2.0221303441178695
Energy: 0.5898200881594887
Energy: 0.8201257637428893
Energy: 0.5923537230766133
Energy: 1.8727131012983718
Energy: 0.5923537230779594
Energy: 0.600091319670318
Energy: 0.5934722122667133
Energy: 1.8765864755720238
Energy: 0.5934722122801138
Energy: 0.5899858476179909
Energy: 0.5899360857154274
Energy: 2.042457112935945
Energy: 0.5899360857154274
Energy: 0.6034850013807435
Energy: 0.5929664794021527
Energy: 1.7103018249955273
Energy: 0.5929664794028257
Energy: 0.8095636192475617
Energy: 0.5923498243280203
Energy: 2.036212472036757
Energy: 0.592349824311866
Energy: 0.7916833703429446
Energy: 0.5897247048285403
Energy: 2.021106061460546
Energy: 0.589724704833925
Energy: 0.8137921699189288
Energy: 0.5917904923561053
Energy: 1.7399277659117873
Energy: 0.5917904923453359
Energy: 1.2141611781449422
Energy: 0.589293498380363
Energy: 1.709222967859856
Energy: 0.589293498380363
Energy: 1.1875620142458785
Energy: 0.5883744907012723
Energy: 1.8781437237004588
Energy: 0.5883744818076552
Energy: 1.1994932354477397
Energy: 0.8632577285580486
Energy: 1.3740336506225774
Energy: 0.8632577285587217
Energy: 1.541665261637665
Energy: 0.8569343647751754
Energy: 1.8728005018853995
Energy: 0.8569343647745024
Energy: 1.189525769866423
Energy: 1.0922934366101382
Energy: 1.550444738820595
Energy: 1.092293436609465
Energy: 1.5372819230194066
Energy: 0.6472452947941473
Energy: 1.3751055394253546
Energy: 0.647245294792801
Energy: 1.5420784735831985
Energy: 0.8596040951579442
Energy: 1.5420145682032447
Energy: 0.8596040951572712
Energy: 1.544255112642867
Energy: 0.5898852747617415
Energy: 1.2096829800238822
Energy: 0.5898852753686249
Energy: 1.859301418224255
Energy: 0.5881884093475972
Energy: 0.9985893283446028
Energy: 0.588188408877963
Energy: 1.5682489791234793
Energy: 0.5921217285662957
Energy: 1.2011861091017941
Energy: 0.5921217285124486
Energy: 1.8706700500296833
Energy: 0.591124429988167
Energy: 0.8187635170376563
Energy: 0.591124429988167
Energy: 2.0258275742829084
Energy: 0.5919510511404659
Energy: 0.8178153212118029
Energy: 0.5919510511431582
Energy: 1.9566329697040876
Energy: 0.5982729413221075
Energy: 0.8204155243361209
Energy: 0.5982729413153766
Energy: 2.0254811876490675
Energy: 0.5910242708434811
Energy: 0.5976978617591565
Energy: 0.5910242708434811
Energy: 2.027843774640896
Energy: 0.5916814285682895
Energy: 0.5930273379287738
Energy: 0.5916814285682895

minimum gb energy = 0.588188408877963 eV
minimum distance =  2.3146085366816 Angstroms
sigma value = 85


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

Energy: 1.9549468264856324
Energy: 0.5278511823902317
Energy: 0.5276040459111835
Energy: 0.7459044041569045
Energy: 2.148067082958097
Energy: 0.528756554933377
Energy: 0.7274928544230651
Energy: 0.528756554933377
Energy: 1.8671247556624158
Energy: 0.5284120427960162
Energy: 0.7053343930149504
Energy: 0.5284120427965999
Energy: 1.614841922363477
Energy: 0.5283379920208167
Energy: 1.0694707627800557
Energy: 0.5283379920138114
Energy: 2.1130872167916217
Energy: 0.5274734586484616
Energy: 1.0621736930564691
Energy: 0.5274734586507968
Energy: 1.582150596685642
Energy: 0.5276803665669649
Energy: 1.0670076751244204
Energy: 0.5276803676061876
Energy: 1.5865744484188509
Energy: 0.527995833848414
Energy: 1.3736124458472636
Energy: 0.5279958338426028
Energy: 1.8140885700782412
Energy: 0.528491041483584
Energy: 1.121841360653131
Energy: 0.5284938357023977
Energy: 1.5869118543036913
Energy: 0.9992386644755316
Energy: 1.3739448228571938
Energy: 0.9992386644755316
Energy: 1.5858558964442493
Energy: 0.9979096598806619
Energy: 1.6629906167071997
Energy: 0.9979096598806619
Energy: 1.361598046175901
Energy: 0.9957198457356445
Energy: 1.4536434454080804
Energy: 0.9957198457350607
Energy: 1.2947430302036886
Energy: 0.9973716977770356
Energy: 1.6656364466383407
Energy: 0.9973716977770356
Energy: 1.3739210366775578
Energy: 0.5275962456427579
Energy: 1.7282815446768958
Energy: 0.527596245224962
Energy: 1.0571185218364643
Energy: 0.5277653988154015
Energy: 1.4502367001687837
Energy: 0.5277653985300691
Energy: 0.9590613929917545
Energy: 0.664689071720793
Energy: 1.9482405464968662
Energy: 0.664689071720793
Energy: 1.060839350266373
Energy: 0.5272611153749477
Energy: 1.725123606002977
Energy: 0.5272611098572548
Energy: 0.7049477194900184
Energy: 0.5299724132538524
Energy: 1.730666220460077
Energy: 0.5299724132567712
Energy: 0.6971825316994953
Energy: 0.5267065556202377
Energy: 2.017269593785105
Energy: 0.526706555619654
Energy: 0.705425704462702
Energy: 0.528052675540703
Energy: 2.0045388546890153
Energy: 0.528052675540703
Energy: 0.640306745190943
Energy: 0.5298460664410115
Energy: 2.0121081364718587
Energy: 0.5298460664415953
Energy: 0.61404737049985
Energy: 0.5254623248914011
Energy: 0.9936280742137706
Energy: 0.5254623248914011
Energy: 0.6200627154581975
Energy: 0.5241310882130971
Energy: 1.8700056920711292
Energy: 0.5241310882136808
Energy: 0.8294942233127998
Energy: 0.5280569654165761
Energy: 2.079596815412981
Energy: 0.5280569654165761
Energy: 0.7930917828799874
Energy: 0.5268514061652678
Energy: 2.0808512289825103
Energy: 0.5268514061646841
Energy: 0.8103563401642421
Energy: 0.5264269683989521
Energy: 1.6137076703911333
Energy: 0.5264269691674366
Energy: 1.0535000226116307
Energy: 0.5268060986135082
Energy: 2.148570607090835
Energy: 0.5268060986135082
Energy: 1.0516367074858022
Energy: 0.5270523255112616
Energy: 1.8705351213351409
Energy: 0.5270523255065914
Energy: 1.3596898559529036
Energy: 0.5265216971273562
Energy: 1.6191536222424359
Energy: 0.5265216943521508
Energy: 1.3708087052710243
Energy: 0.8986705384999217
Energy: 1.8760517544066633
Energy: 0.8986705384981704
Energy: 1.3682406013118902
Energy: 0.9109609732507242
Energy: 1.5865679606574896
Energy: 0.9109609732524755
Energy: 1.664291148553792
Energy: 0.9141034775399527
Energy: 1.2883150424246979
Energy: 0.9141034775399527
Energy: 1.4536624220942684
Energy: 0.9149476296795734
Energy: 1.6005410225329968
Energy: 0.9149476296807408
Energy: 1.6618189799684573
Energy: 0.9962082581132966
Energy: 1.292416049737427
Energy: 0.9962082581144642
Energy: 1.9454252581183151
Energy: 0.5290690060634339
Energy: 1.2925531180066954
Energy: 0.5290692142344317
Energy: 1.448092411736902
Energy: 0.779675948157041
Energy: 0.7997094102457435
Energy: 0.779675948157041
Energy: 1.9446554303339345
Energy: 0.5276818685539846
Energy: 1.052646427730264
Energy: 0.5276818685545684
Energy: 2.0082357821725285
Energy: 0.5278531085401379
Energy: 1.0724190508520883
Energy: 0.527853108539554
Energy: 1.7860767684171301
Energy: 0.52810103505007
Energy: 0.7165535719909494
Energy: 0.5281010350483187
Energy: 2.076357896373175
Energy: 0.5280401909215764
Energy: 0.7055272762144709
Energy: 0.5280401909221601
Energy: 2.0081903878038028
Energy: 0.5318511972261565
Energy: 0.7264681639233812
Energy: 0.5318511972261565
Energy: 1.7847220763242073
Energy: 0.5277269034727701
Energy: 0.5293699048759315
Energy: 0.5277269034786077
Energy: 2.1635597302818925
Energy: 0.5284631746920027
Energy: 0.528336866490859
Energy: 0.5284631746920027
Energy: 1.8710251723729325
Energy: 0.5306010491164466
Energy: 0.527731537222874
Energy: 0.5306010491170303

minimum gb energy = 0.5241310882130971 eV
minimum distance =  2.30313992507212 Angstroms
sigma value = 113


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

Energy: 0.018865769135080056
Energy: 0.5327473435579363
Energy: 1.6169485589421158
Energy: 0.020015466979127414
Energy: 1.1690269053763755
Energy: 0.12464984869555142
Energy: 1.1774638221623484
Energy: 0.12464984869470372
Energy: 0.019423823613980238
Energy: 0.12352762169164329
Energy: 1.1755310007488748
Energy: 0.12352762169164329
Energy: 0.021145637281904807
Energy: 0.12505046825604915
Energy: 0.12438103435424672
Energy: 0.12505046825560037
Energy: 1.1855777844061484
Energy: 0.1258825299312383
Energy: 1.1793897103806772
Energy: 0.1258825299312383
Energy: 0.019516942172680025
Energy: 0.12333387364107694
Energy: 1.1718066229216821
Energy: 0.12333387364107694

minimum gb energy = 0.018865769135080056 eV
minimum distance =  2.50869077213692 Angstroms
sigma value = 1