Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987_Ni__MO_977363131043_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52422046661377
cohesive_energy=4.459348122686658
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018153055111408533
Energy: 0.01845799314003421
Energy: 0.8545471437740847
Energy: 0.01845799314003421
Energy: 0.01845799314003421
Energy: 0.8631883302462204
Energy: 0.01845799314003421
Energy: 0.8631883302455973
Energy: 0.8545471437734248
Energy: 0.018457993139374265
Energy: 0.018153055111408533
Energy: 0.01845799314003421
Energy: 0.01845799314003421
Energy: 0.8631883302455973
Energy: 0.01845799314003421
Energy: 0.8631883302455973

minimum gb energy = 0.018153055111408533 eV
minimum distance =  2.4135976803695 Angstroms
sigma value = 1


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

Energy: 1.1758967401604499
Energy: 1.3017268386440564
Energy: 1.3473047643282612
Energy: 1.301726838640855
Energy: 1.1727322769352582
Energy: 1.3351963342458248
Energy: 1.181493702447247
Energy: 1.3351963342458248
Energy: 1.1492570699158144
Energy: 1.3122924334923693
Energy: 1.1477908051970152
Energy: 1.3122924334923693
Energy: 1.1425089611511285
Energy: 1.2942337508020094
Energy: 1.0835316289254724
Energy: 1.2942337508012092
Energy: 1.1446150790632168
Energy: 1.3407370525564806
Energy: 1.1483649015743358
Energy: 1.340737052558882
Energy: 1.1209500911302193
Energy: 1.122790811958293
Energy: 1.080047299744292
Energy: 1.1227908119590935
Energy: 1.1471406525952086
Energy: 1.325034833863376
Energy: 1.1110216044534922
Energy: 1.3250348338617752
Energy: 1.0803710344049084
Energy: 1.3141351617022468
Energy: 1.0848711562249143
Energy: 1.3141351617006458
Energy: 1.140486714570181
Energy: 1.3012916872369567
Energy: 1.1887227108614664
Energy: 1.3012916872377571
Energy: 1.0802161951198268
Energy: 1.3249145531817226
Energy: 1.0906046714707776
Energy: 1.324914553180922
Energy: 1.1995544846848973
Energy: 1.3205838334995086
Energy: 1.1401916357620552
Energy: 1.3205838334995086
Energy: 1.2019219976563165
Energy: 1.3147474428149593
Energy: 1.0786518016987117
Energy: 1.3147474428149593
Energy: 1.1790343447669935
Energy: 1.3452831963179406
Energy: 1.1812670177812703
Energy: 1.3452831963171403
Energy: 1.1452014232625778
Energy: 1.1228897788976868
Energy: 1.1122397516495657
Energy: 1.1228897788952856
Energy: 1.1769774607126025
Energy: 1.3171409998231325
Energy: 1.1828234198485765
Energy: 1.3171409998223322
Energy: 1.1766565723589675
Energy: 1.3420166171058188
Energy: 1.0878258772842266
Energy: 1.3420166171058188
Energy: 1.1478770480664016
Energy: 1.3230303940757542
Energy: 1.0863496860625719
Energy: 1.323030394077355
Energy: 1.1812675285376701
Energy: 1.3376855057007837
Energy: 1.2066095231967175
Energy: 1.3376855057007837
Energy: 1.128152044954802
Energy: 1.3162091397119609
Energy: 1.0768632815669714
Energy: 1.3162091397119609
Energy: 1.1551805856992206
Energy: 1.1812785900999965
Energy: 1.1409238925785385
Energy: 1.1812785900999965
Energy: 1.0805618120810974
Energy: 1.3242949834565236
Energy: 1.088643350245426
Energy: 1.324294983454923
Energy: 1.0997145970786353
Energy: 1.1212366284611601
Energy: 1.1442254797596298
Energy: 1.1212366284595594
Energy: 1.1481428703643255
Energy: 1.3101043827412648
Energy: 1.115618181803553
Energy: 1.3101043827404644
Energy: 1.0767903560350407
Energy: 1.3273794544961879
Energy: 1.1177447371706764
Energy: 1.327379454493787
Energy: 1.1154251305831253
Energy: 1.2895608429105563
Energy: 1.1463649949718007
Energy: 1.289560842909756
Energy: 1.1452194214212668
Energy: 1.3444274425362266
Energy: 1.13562443729645
Energy: 1.3444274425354261
Energy: 1.1749077823222502
Energy: 1.3334242168962114
Energy: 1.1461806142640818
Energy: 1.3334242168938104
Energy: 1.1245876067016929
Energy: 1.321114541289824
Energy: 1.1422677139449502
Energy: 1.321114541289824
Energy: 1.170922865535934
Energy: 1.3337174371975087
Energy: 1.1783636590666882
Energy: 1.3337174371983092
Energy: 1.177539583090596
Energy: 1.3154976967679848
Energy: 1.203427082135931
Energy: 1.3154976967671843
Energy: 1.1705879249718267
Energy: 1.3365045882683297
Energy: 1.1782891569955822
Energy: 1.3365045882683297
Energy: 1.0882662504396725
Energy: 1.3230136124542329
Energy: 1.145259664454646
Energy: 1.3230136124518317
Energy: 1.1438665531368257
Energy: 1.2975256734284362
Energy: 1.0912542219053016
Energy: 1.2975256734292369

minimum gb energy = 1.0767903560350407 eV
minimum distance =  2.2110920120668 Angstroms
sigma value = 1


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

Energy: 1.2182826493862624
Energy: 1.320096541230778
Energy: 1.4171372952734071
Energy: 1.320096541232603
Energy: 1.1600868865222942
Energy: 1.3496225466918181
Energy: 1.2632738185306793
Energy: 1.3496225466927307
Energy: 1.1293767494550693
Energy: 1.2971100132560704
Energy: 1.2158887918207308
Energy: 1.2971100132478572
Energy: 1.115505009695952
Energy: 1.1699836641814463
Energy: 1.1772204583498262
Energy: 1.1699836641777959
Energy: 1.1141503143188733
Energy: 1.343969312756507
Energy: 1.121912249702042
Energy: 1.343969312756507
Energy: 1.243739780832631
Energy: 1.271616481333165
Energy: 1.1491693680206934
Energy: 1.2716164813276896
Energy: 1.1140169563474152
Energy: 1.1705111305534686
Energy: 1.1779315716518939
Energy: 1.1705111305498184
Energy: 1.1287244655722564
Energy: 1.2383444703556588
Energy: 1.1251970954584738
Energy: 1.2383444703666093
Energy: 1.1334898221538319
Energy: 1.236742032196372
Energy: 1.2406568603382633
Energy: 1.2367420321890712
Energy: 1.122369774182628
Energy: 1.292109339581724
Energy: 1.1634194306812262
Energy: 1.2921093395753358
Energy: 1.1313448975411216
Energy: 1.371629098679446
Energy: 1.239972892017107
Energy: 1.3716290986876594
Energy: 1.1224143323488218
Energy: 1.3577139672828444
Energy: 1.1952524087434053
Energy: 1.3577139672846696
Energy: 1.2169466421615045
Energy: 1.3831481826977117
Energy: 1.1638800223116652
Energy: 1.383148182696799
Energy: 1.2168140586178213
Energy: 1.3831332518399946
Energy: 1.1178865128429964
Energy: 1.3831332518536832
Energy: 1.1223877980468924
Energy: 1.3577943162938015
Energy: 1.2162270166726783
Energy: 1.3577943162983643
Energy: 1.1312326017496404
Energy: 1.3716795562513286
Energy: 1.2399163925792278
Energy: 1.3716795562513286
Energy: 1.1223823916520674
Energy: 1.2919205553110207
Energy: 1.1573762507849863
Energy: 1.2919205553055455
Energy: 1.1334329425129368
Energy: 1.2369868578783687
Energy: 1.2407308593616797
Energy: 1.2369868578783687
Energy: 1.1286647815501882
Energy: 1.2379042776144067
Energy: 1.1241845865553213
Energy: 1.2379042776189697
Energy: 1.113865203864708
Energy: 1.1706308257458875
Energy: 1.1676890691178412
Energy: 1.1706308257458875
Energy: 1.2436901744083064
Energy: 1.1668473019169794
Energy: 1.1176349023102206
Energy: 1.166847301922455
Energy: 1.1140787077414216
Energy: 1.3440374498033945
Energy: 1.168903959847136
Energy: 1.3440374498079575
Energy: 1.1152356451475482
Energy: 1.1703736259901576
Energy: 1.177026288739043
Energy: 1.1703736259901576
Energy: 1.129277742891037
Energy: 1.2969947283632115
Energy: 1.2156187768916538
Energy: 1.296994728362299
Energy: 1.1601169546737473
Energy: 1.3495558567729369
Energy: 1.2632041314451439
Energy: 1.3495558567756745
Energy: 1.21828264938535
Energy: 1.320096541228953
Energy: 1.3137490374027392
Energy: 1.320096541228953
Energy: 1.1600868865204692
Energy: 1.3496225466909055
Energy: 1.263273818531592
Energy: 1.3496225466936433
Energy: 1.1293767494559819
Energy: 1.2971100132569828
Energy: 1.164110397064922
Energy: 1.2971100132487698
Energy: 1.115505009695952
Energy: 1.1699836641805337
Energy: 1.1326373988489566
Energy: 1.1699836641787085

minimum gb energy = 1.113865203864708 eV
minimum distance =  2.18031415239458 Angstroms
sigma value = 25


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

Energy: 1.195093636382855
Energy: 1.379605307262733
Energy: 1.485712598507635
Energy: 1.3796053072606111
Energy: 1.158005073477529
Energy: 1.3970386798893164
Energy: 1.1607399558562155
Energy: 1.3970386798893164
Energy: 1.1851857085617306
Energy: 1.4409792961586474
Energy: 1.1606661918640142
Energy: 1.4409792961586474
Energy: 1.171734933604605
Energy: 1.30808624661882
Energy: 1.1690809536988462
Energy: 1.3080862466198808
Energy: 1.232223738619833
Energy: 1.3867338736063335
Energy: 1.1711972933589385
Energy: 1.3867338736063335
Energy: 1.2987824335828675
Energy: 1.420422511546994
Energy: 1.1627420554480847
Energy: 1.4204225115480544
Energy: 1.1606585028985814
Energy: 1.1698160976571204
Energy: 1.1855169790801097
Energy: 1.1698160976571204
Energy: 1.4398226958630238
Energy: 1.3791484305122406
Energy: 1.1490986084562964
Energy: 1.3791484305122406
Energy: 1.1908109694460443
Energy: 1.3922555215166343
Energy: 1.1578471629856684
Energy: 1.3922555215166343
Energy: 1.1614882031290774
Energy: 1.4160809716823657
Energy: 1.1648570655406028
Energy: 1.4160809716823657
Energy: 1.171560036242103
Energy: 1.393571755787473
Energy: 1.232372853086603
Energy: 1.3935717557885337
Energy: 1.1524263341206948
Energy: 1.3866249282198129
Energy: 1.3551403697352786
Energy: 1.3866249282208738
Energy: 1.1608044892348097
Energy: 1.288892882200549
Energy: 1.1657631139565507
Energy: 1.288892882200549
Energy: 1.192067415170724
Energy: 1.1706968540964429
Energy: 1.1587783336109574
Energy: 1.1706968540964429
Energy: 1.308726905827704
Energy: 1.3800585496529554
Energy: 1.1459922906734672
Energy: 1.380058549654016
Energy: 1.1583273791487363
Energy: 1.1691266329850567
Energy: 1.1692904051315216
Energy: 1.1691266329850567
Energy: 1.1644454612951873
Energy: 1.413570218690214
Energy: 1.1642390670802494
Energy: 1.4135702186912267
Energy: 1.177028226706229
Energy: 1.169299958341227
Energy: 1.1713528479546256
Energy: 1.169299958341227
Energy: 1.172102549504992
Energy: 1.1757899924304378
Energy: 1.2281798434142301
Energy: 1.1757899924304378
Energy: 1.1580245983986897
Energy: 1.4065149839123727
Energy: 1.160706191263968
Energy: 1.4065149839123727
Energy: 1.176505552324741
Energy: 1.3051967025455715
Energy: 1.160585863069709
Energy: 1.3051967025455715
Energy: 1.1980849575094683
Energy: 1.3989205669074438
Energy: 1.3104517482130078
Energy: 1.3989205669074438
Energy: 1.158203752969807
Energy: 1.3902457163250794
Energy: 1.3119849529679857
Energy: 1.3902457163261404
Energy: 1.1839643292202533
Energy: 1.399793040212956
Energy: 1.1614381168007974
Energy: 1.3997930402140164
Energy: 1.1926825036234494
Energy: 1.3066060799879045
Energy: 1.1692366194798995
Energy: 1.3066060799879045

minimum gb energy = 1.1459922906734672 eV
minimum distance =  2.2207570499896 Angstroms
sigma value = 9


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

Energy: 1.2078688899748624
Energy: 1.4331563246370296
Energy: 1.5914290329273348
Energy: 1.4331563246344985
Energy: 1.2087551519323039
Energy: 1.3983810113508635
Energy: 1.2146561129700912
Energy: 1.3983810113508635
Energy: 1.1992258536370979
Energy: 1.206728219183421
Energy: 1.2202715030408864
Energy: 1.206728219182156
Energy: 1.2076979200434947
Energy: 1.3487733070827628
Energy: 1.1918306165567008
Energy: 1.348773307084028
Energy: 1.3860865258017432
Energy: 1.3328543878189252
Energy: 1.2202400989467495
Energy: 1.3328543878163943
Energy: 1.1947295504323592
Energy: 1.2060707362921994
Energy: 1.1990825901436304
Energy: 1.2060707362921994
Energy: 1.272115634127638
Energy: 1.3238142510855382
Energy: 1.1927230486616012
Energy: 1.3238142510868038
Energy: 1.3583925489095976
Energy: 1.219397566057932
Energy: 1.1788376963223122
Energy: 1.2193975660591976
Energy: 1.2077906361458466
Energy: 1.3987510820749782
Energy: 1.2146157563013855
Energy: 1.3987510820737128
Energy: 1.20768120900518
Energy: 1.2078297316519961
Energy: 1.191930506120318
Energy: 1.2078297316507307
Energy: 1.2000320124558688
Energy: 1.4151545325738943
Energy: 1.220181215444595
Energy: 1.4151545325738943
Energy: 1.2050608469024768
Energy: 1.3910983997828574
Energy: 1.193324829769105
Energy: 1.3910983997828574
Energy: 1.1993002326627782
Energy: 1.2088918083681681
Energy: 1.243879173778586
Energy: 1.2088918083681681
Energy: 1.219504033632472
Energy: 1.2060576695871683
Energy: 1.2504140596942812
Energy: 1.2060576695909648
Energy: 1.199302193261479
Energy: 1.208633493809892
Energy: 1.247621777443782
Energy: 1.2086334938086265
Energy: 1.2029486906870746
Energy: 1.3910824807271949
Energy: 1.1933409249949023
Energy: 1.391082480722133
Energy: 1.199949530026027
Energy: 1.4151401500939844
Energy: 1.2201864495669459
Energy: 1.4151401500901877
Energy: 1.207700371888899
Energy: 1.2077241375996335
Energy: 1.1964549645554348
Energy: 1.2077241375971024
Energy: 1.2079450881098428
Energy: 1.398669147444573
Energy: 1.2146923075330864
Energy: 1.398669147449635
Energy: 1.358469179748754
Energy: 1.219578515294588
Energy: 1.1804908814458972
Energy: 1.2195785152958536
Energy: 1.2720457801101557
Energy: 1.323816754938756
Energy: 1.1926976368860658
Energy: 1.3238167549425526

minimum gb energy = 1.1788376963223122 eV
minimum distance =  2.2408322072848 Angstroms
sigma value = 25


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

Energy: 1.1937115089008343
Energy: 1.4318532648040874
Energy: 1.6682203151547503
Energy: 1.4318532648040874
Energy: 1.179027270374787
Energy: 1.4537687822377998
Energy: 1.1785856344212973
Energy: 1.4537687822377998
Energy: 1.1815096896474826
Energy: 1.3543131331182914
Energy: 1.186971355733952
Energy: 1.3543131331167262
Energy: 1.193863127645114
Energy: 1.4355204063773155
Energy: 1.4040234968126148
Energy: 1.4355204063773155
Energy: 1.383943964552404
Energy: 1.3496548381779927
Energy: 1.2553089160934052
Energy: 1.3496548381795574
Energy: 1.1823119653902057
Energy: 1.469968260359689
Energy: 1.1817727067765882
Energy: 1.469968260359689
Energy: 1.1782755150373276
Energy: 1.3512007306149527
Energy: 1.178619643485836
Energy: 1.3512007306165181
Energy: 1.417081504637162
Energy: 1.4396259670584552
Energy: 1.1917278338779649
Energy: 1.43962596705689
Energy: 1.1792581662615722
Energy: 1.3305646434826546
Energy: 1.1805037777178178
Energy: 1.3305646434810896
Energy: 1.4189415579592455
Energy: 1.3735401841089816
Energy: 1.1807772764201578
Energy: 1.3735401841105466
Energy: 1.3844611738727792
Energy: 1.3647422981876374
Energy: 1.5774229257325634
Energy: 1.3647422981876374
Energy: 1.1793835520470004
Energy: 1.2248396743431966
Energy: 1.4089698498238294
Energy: 1.2248396743400665
Energy: 1.3845537713267222
Energy: 1.3737560340459376
Energy: 1.181320044107663
Energy: 1.3737560340459376
Energy: 1.2472275244997235
Energy: 1.3690792373612748
Energy: 1.1941935249238567
Energy: 1.3690792373628398
Energy: 1.2561582003276455
Energy: 1.4461063629767748
Energy: 1.378109940793815
Energy: 1.4461063629767748
Energy: 1.179067512769447
Energy: 1.4578299728244382
Energy: 1.1819921488115923
Energy: 1.457829972822873
Energy: 1.1811244196350874
Energy: 1.3033307527730842
Energy: 1.4095118189243763
Energy: 1.303330752771519

minimum gb energy = 1.1782755150373276 eV
minimum distance =  2.30097035738633 Angstroms
sigma value = 17


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

Energy: 1.2252829721518024
Energy: 1.227538293288989
Energy: 1.6757583951225177
Energy: 1.227538293288989
Energy: 1.4000030232771183
Energy: 1.2872640013651684
Energy: 1.192677124271883
Energy: 1.2872640013633954
Energy: 1.3909043267082501
Energy: 1.3323129919776324
Energy: 1.187468080227411
Energy: 1.3323129919776324
Energy: 1.1871135334580698
Energy: 1.3195052736051318
Energy: 1.2978190434162933
Energy: 1.3195052736042456
Energy: 1.4093509715282828
Energy: 1.2956969024525238
Energy: 1.2080207936052152
Energy: 1.2956969024525238
Energy: 1.1896300480132975
Energy: 1.2328372650446664
Energy: 1.3932165728315067
Energy: 1.2328372650438202
Energy: 1.1801321253930244
Energy: 1.3016136765523638
Energy: 1.19273649340825
Energy: 1.3016136765523638
Energy: 1.3977909523815704
Energy: 1.2306297310694958
Energy: 1.1879880578407715
Energy: 1.2306297310694958
Energy: 1.1904651920498786
Energy: 1.2881879391557582
Energy: 1.4134927096794805
Energy: 1.2881879391575308
Energy: 1.527176617728767
Energy: 1.2198566777855235
Energy: 1.1866075694666063
Energy: 1.2198566777855235
Energy: 1.1901271487357201
Energy: 1.3200431836674458
Energy: 1.3935553620309713
Energy: 1.3200431836674458
Energy: 1.1901535039533144
Energy: 1.294168572650853
Energy: 1.1901410392206733
Energy: 1.2941685726526255
Energy: 1.3904444603480424
Energy: 1.2292908946628422
Energy: 1.2293500780448472
Energy: 1.2292908946619558
Energy: 1.1867659668828336
Energy: 1.2946749829339506
Energy: 1.4004319677630677
Energy: 1.2946749829339506
Energy: 1.308371734400623
Energy: 1.3228321299404586
Energy: 1.1858120273085457
Energy: 1.3228321299404586
Energy: 1.3859807769475143
Energy: 1.2058743349997374
Energy: 1.4000218327666956
Energy: 1.2058743350006238
Energy: 1.2003694092187818
Energy: 1.3097522562432542
Energy: 1.5151927613638123
Energy: 1.309752256242368
Energy: 1.3928579928921454
Energy: 1.2304520417910856
Energy: 1.1895668110702806
Energy: 1.230452041791972
Energy: 1.2086694798756283
Energy: 1.2893529171373403
Energy: 1.2785737155609624
Energy: 1.289352917136454
Energy: 1.2044915277025374
Energy: 1.3347247833692943
Energy: 1.1833090212934247
Energy: 1.3347247833684082
Energy: 1.2843589825717379
Energy: 1.2291432149037957
Energy: 1.3883628865366373
Energy: 1.2291432149037957
Energy: 1.19990444501251
Energy: 1.3485075168876648
Energy: 1.5318990003435304
Energy: 1.3485075168876648
Energy: 1.3212894475536099
Energy: 1.2263142607989879
Energy: 1.1841097168559573
Energy: 1.2263142607981017
Energy: 1.2028417533075269
Energy: 1.307129523833615
Energy: 1.391635901577206
Energy: 1.3071295238327287
Energy: 1.2070950698989957
Energy: 1.3108511249770687
Energy: 1.3937230565523413
Energy: 1.3108511249797277
Energy: 1.4141360309562874
Energy: 1.228140799428749
Energy: 1.1867191800282375
Energy: 1.228140799428749
Energy: 1.2038777868854653
Energy: 1.3489027854684545
Energy: 1.5540184548560525
Energy: 1.348902785466682
Energy: 1.3986584560970812
Energy: 1.2041134038365167
Energy: 1.3899960541098997
Energy: 1.2041134038391756
Energy: 1.5190258107285377
Energy: 1.3157537245314346
Energy: 1.1829467188869474
Energy: 1.3157537245332072
Energy: 1.1878846246548147
Energy: 1.2901171622953445
Energy: 1.3909878523682961
Energy: 1.2901171622953445

minimum gb energy = 1.1801321253930244 eV
minimum distance =  2.21778555206759 Angstroms
sigma value = 53


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

Energy: 1.0482119344796028
Energy: 1.0485561281738012
Energy: 1.7313436059524303
Energy: 1.0485561281738012
Energy: 1.3958931658379594
Energy: 1.1765177891297263
Energy: 1.1066989528059106
Energy: 1.1765177891236047
Energy: 1.049278504497241
Energy: 1.034890202955947
Energy: 1.2375875195748138
Energy: 1.0348902029579874
Energy: 1.049248749630319
Energy: 1.034699548450204
Energy: 1.1059638469551407
Energy: 1.0346995484542851
Energy: 1.395912524432602
Energy: 1.1764696456328014
Energy: 1.1067029941374726
Energy: 1.1764696456328014
Energy: 1.0482119344816434
Energy: 1.0485561281738012
Energy: 1.650774627273969
Energy: 1.0485561281738012
Energy: 1.3958931658379594
Energy: 1.1765177891276857
Energy: 1.1066989528038702
Energy: 1.1765177891256453
Energy: 1.0492785044992816
Energy: 1.034890202955947
Energy: 1.3324634652395553
Energy: 1.034890202960028
Energy: 1.049248749630319
Energy: 1.0346995484522445
Energy: 1.1059638469551407
Energy: 1.0346995484522445
Energy: 1.3959125244346424
Energy: 1.1764696456328014
Energy: 1.106702994139513
Energy: 1.1764696456328014
Energy: 1.0482119344796028
Energy: 1.0485561281738012
Energy: 1.5444696675531386
Energy: 1.0485561281738012
Energy: 1.3958931658359188
Energy: 1.1765177891276857
Energy: 1.1066989528059106
Energy: 1.1765177891236047
Energy: 1.0492785044992816
Energy: 1.034890202955947
Energy: 1.3324634652436365
Energy: 1.0348902029579874

minimum gb energy = 1.034699548450204 eV
minimum distance =  2.29596870344353 Angstroms
sigma value = 9


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

Energy: 1.184154291748455
Energy: 1.52398170257115
Energy: 1.7141139261435805
Energy: 1.5239817025726603
Energy: 1.5283321156557905
Energy: 1.2601269773668735
Energy: 1.1812106127351358
Energy: 1.2601269773661186
Energy: 1.2037382891028718
Energy: 1.2806177709789963
Energy: 1.1843636564073905
Energy: 1.2806177709774857
Energy: 1.3995309546425396
Energy: 1.275378606514074
Energy: 1.1786366289507373
Energy: 1.2753786065148294
Energy: 1.453782102849891
Energy: 1.257048588409921
Energy: 1.1777538224001296
Energy: 1.257048588409921
Energy: 1.174024298047778
Energy: 1.1745793053691278
Energy: 1.4066554842880714
Energy: 1.1745793053691278
Energy: 1.6549148266449742
Energy: 1.2620429193876457
Energy: 1.2000196326392576
Energy: 1.262042919388401
Energy: 1.18700216086754
Energy: 1.1861113781212385
Energy: 1.3791350662078883
Energy: 1.186111378120483
Energy: 1.183511495706021
Energy: 1.2818233509632948
Energy: 1.1630837205978743
Energy: 1.2818233509632948
Energy: 1.1839035614258226
Energy: 1.2552539476236309
Energy: 1.172906556910235
Energy: 1.2552539476243856
Energy: 1.1859255796318402
Energy: 1.2591923091802717
Energy: 1.6757871083531715
Energy: 1.2591923091840478
Energy: 1.3725822269763608
Energy: 1.5792910455441607
Energy: 1.182039544690232
Energy: 1.5792910455441607
Energy: 1.1890344645625675
Energy: 1.4931654947383028
Energy: 1.540490971256957
Energy: 1.4931654947367923
Energy: 1.4193576508896235
Energy: 1.5363663874995146
Energy: 1.176160451981616
Energy: 1.536366387498004
Energy: 1.1835095115805763
Energy: 1.2603687001497434
Energy: 1.416068146994809
Energy: 1.260368700148233
Energy: 1.201748988533944
Energy: 1.4383493784839958
Energy: 1.387171323895921
Energy: 1.43834937848173
Energy: 1.2774021117102508
Energy: 1.1842955531404795
Energy: 1.1969613792670304
Energy: 1.18429555314199
Energy: 1.1861557260012447
Energy: 1.2708996654797053
Energy: 1.4537400862857375
Energy: 1.270899665481216
Energy: 1.3992272038020592
Energy: 1.3750156083541343
Energy: 1.1872803410321928
Energy: 1.3750156083564
Energy: 1.1819219593333972
Energy: 1.2652051661953985
Energy: 1.3092355629050807
Energy: 1.2652051661953985
Energy: 1.3706363216614366
Energy: 1.4281333863070318
Energy: 1.383590219949296
Energy: 1.4281333863085421
Energy: 1.3088665890554645
Energy: 1.3626240119939133
Energy: 1.1890697860437802
Energy: 1.3626240119954236
Energy: 1.162932422466222
Energy: 1.2618585882932885
Energy: 1.1659912800359953
Energy: 1.2618585882932885
Energy: 1.6145581507445899
Energy: 1.3732652959863416
Energy: 1.1848865461788214
Energy: 1.3732652959863416
Energy: 1.1784224676895652
Energy: 1.6159709033405993
Energy: 1.5651769147902974
Energy: 1.6159709033413547
Energy: 1.2885442934899862
Energy: 1.2796297630052589
Energy: 1.1872495467401167
Energy: 1.279629763004504
Energy: 1.3689290066728261
Energy: 1.3274063962871907
Energy: 1.420184906113124
Energy: 1.3274063962856801
Energy: 1.1755917783764454
Energy: 1.347254591540793
Energy: 1.4235687662247438
Energy: 1.347254591540793
Energy: 1.278213984367504
Energy: 1.1652945239004442
Energy: 1.1867298805434334
Energy: 1.165294523896668
Energy: 1.1791811192699158
Energy: 1.584103589645918
Energy: 1.5411061346965738
Energy: 1.584103589645918
Energy: 1.5735563576209342
Energy: 1.1864607510194265
Energy: 1.1846396163766448
Energy: 1.1864607510186715
Energy: 1.1638433769766758
Energy: 1.2577737002586094
Energy: 1.1655724057910795
Energy: 1.2577737002586094
Energy: 1.1663046072704797
Energy: 1.36175206593595
Energy: 1.191452385307116
Energy: 1.3617520659367053
Energy: 1.3728099793537532
Energy: 1.4650736973900111
Energy: 1.4037027815428584
Energy: 1.4650736973892557
Energy: 1.1949748257434034
Energy: 1.4362882394076637
Energy: 1.678024542316573
Energy: 1.4362882394069083

minimum gb energy = 1.162932422466222 eV
minimum distance =  2.17321192986454 Angstroms
sigma value = 73


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

Energy: 1.185652260219534
Energy: 1.186511700741966
Energy: 1.72828700405131
Energy: 1.1865117007431643
Energy: 1.2075709105359733
Energy: 1.4170766095542597
Energy: 1.1938436164929445
Energy: 1.4170766095542597
Energy: 1.199840479236333
Energy: 1.4014730873193042
Energy: 1.18669870194149
Energy: 1.4014730873169077
Energy: 1.204471071007974
Energy: 1.3128348126086093
Energy: 1.1938029862588073
Energy: 1.3128348126086093
Energy: 1.1766697695403707
Energy: 1.3069256916182288
Energy: 1.1765147143094214
Energy: 1.3069256916182288
Energy: 1.2010066728694073
Energy: 1.1834234883114239
Energy: 1.6780367713926212
Energy: 1.1834234883114239
Energy: 1.5895769191100697
Energy: 1.5299309287877738
Energy: 1.200200359058514
Energy: 1.5299309287877738
Energy: 1.208182476850542
Energy: 1.4030377813742223
Energy: 1.6116645145890678
Energy: 1.4030377813730242
Energy: 1.6088628334430672
Energy: 1.1688107569244512
Energy: 1.1702110501169363
Energy: 1.1688107569256496
Energy: 1.1948779437027115
Energy: 1.310843307599282
Energy: 1.1696953006545172
Energy: 1.3108433075981112
Energy: 1.2039383211958787
Energy: 1.3612491544914822
Energy: 1.5977915290346048
Energy: 1.3612491544914822
Energy: 1.390563193884459
Energy: 1.3109279104716232
Energy: 1.205741141811654
Energy: 1.3109279104728215
Energy: 1.2007974749828418
Energy: 1.2983939024087243
Energy: 1.4031503416170648
Energy: 1.2983939024087243
Energy: 1.673153771828191
Energy: 1.2985985778392055
Energy: 1.2010553470934417
Energy: 1.2985985778380074
Energy: 1.1678713351962973
Energy: 1.2139237687196849
Energy: 1.3905938378984308
Energy: 1.2139237687196849
Energy: 1.5892855218522393
Energy: 1.381743854305874
Energy: 1.2082420739663386
Energy: 1.3817438543047031
Energy: 1.1709224874063642
Energy: 1.1710547505021225
Energy: 1.1976600369890849
Energy: 1.1710547505009241
Energy: 1.1707048352512714
Energy: 1.1688733801637594
Energy: 1.1979212885572916
Energy: 1.1688733801649576
Energy: 1.2151834071719816
Energy: 1.361626738143165
Energy: 1.2060944383993557
Energy: 1.3616267381419667
Energy: 1.1945886986550702
Energy: 1.2526560568060336
Energy: 1.5911225736522276
Energy: 1.252656056807232
Energy: 1.6725664132128844
Energy: 1.182670425183551
Energy: 1.1995336945082233
Energy: 1.1826704251859472
Energy: 1.19360294440189
Energy: 1.3061258638047226
Energy: 1.4137323598108638
Energy: 1.3061258638059208

minimum gb energy = 1.1678713351962973 eV
minimum distance =  2.18703681885341 Angstroms
sigma value = 7


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

Energy: 1.2351607917914167
Energy: 1.2350742728184176
Energy: 1.716408809254359
Energy: 1.2350742728201123
Energy: 1.6080938960384596
Energy: 1.3661822092490674
Energy: 1.2192416830280903
Energy: 1.3661822092533038
Energy: 1.1926080142633488
Energy: 1.4653932695127316
Energy: 1.207158660418418
Energy: 1.465393269513579
Energy: 1.2780452254036054
Energy: 1.2263186451170438
Energy: 1.2015782649978557
Energy: 1.2263186451161965
Energy: 1.178862037822377
Energy: 1.304528457895838
Energy: 1.2297932127639533
Energy: 1.3045284578916017
Energy: 1.1972637140890618
Energy: 1.4499471977530598
Energy: 1.5560397602807043
Energy: 1.4499471977717007
Energy: 1.393739437016966
Energy: 1.256805526310686
Energy: 1.2590637427069993
Energy: 1.2568055263166171
Energy: 1.1962842615528386
Energy: 1.4602605570961487
Energy: 1.6792072780304756
Energy: 1.4602605571037741
Energy: 1.4572410005977587
Energy: 1.317854277161449
Energy: 1.20216806377648
Energy: 1.3178542771690747
Energy: 1.2162464149830388
Energy: 1.326652005730437
Energy: 1.3503394688191461
Energy: 1.3266520057346736
Energy: 1.272713036745555
Energy: 1.2350965796117468
Energy: 1.2487725008991086
Energy: 1.235096579609205
Energy: 1.2259328515222117
Energy: 1.3043081108183137
Energy: 1.260708236098542
Energy: 1.304308110816619
Energy: 1.228141506502155
Energy: 1.2290666026670924
Energy: 1.240209601477597
Energy: 1.229066602668787
Energy: 1.2413912201114634
Energy: 1.4476723834617773
Energy: 1.24953354353285
Energy: 1.4476723834465262
Energy: 1.212595091470009
Energy: 1.4653085214112198
Energy: 1.4354030996187452
Energy: 1.4653085214035941
Energy: 1.7148641968281013
Energy: 1.2332173604780052
Energy: 1.1979013131948462
Energy: 1.233217360474616
Energy: 1.1945019381939341
Energy: 1.3023391941893594
Energy: 1.2683255235881983
Energy: 1.3023391941952904
Energy: 1.199651224131154
Energy: 1.2729717897864226
Energy: 1.2682555061153618
Energy: 1.2729717897855752
Energy: 1.1946788152217598
Energy: 1.4485106980409688
Energy: 1.2550839730579975
Energy: 1.4485106980485942
Energy: 1.178861255584709
Energy: 1.3034919799942597
Energy: 1.2239686310309146
Energy: 1.3034919799900233
Energy: 1.2708584648148973
Energy: 1.3545275992965689
Energy: 1.2023295128394595
Energy: 1.3545275992982633
Energy: 1.1966610304046486
Energy: 1.450163289451432
Energy: 1.397229876836752
Energy: 1.450163289444654
Energy: 1.5413169311354107
Energy: 1.4533871040748108
Energy: 1.248587329315823
Energy: 1.4533871040815893
Energy: 1.2281724704671997
Energy: 1.2260011170665859
Energy: 1.573382124960437
Energy: 1.2260011170665859
Energy: 1.2200466325352803
Energy: 1.3036958147229105
Energy: 1.246435021880859
Energy: 1.3036958147254527
Energy: 1.2752839908040159
Energy: 1.2347577636629543
Energy: 1.258529925089145
Energy: 1.234757763667191
Energy: 1.2033941063532392
Energy: 1.334916583280849
Energy: 1.2298608801049935
Energy: 1.334916583278307
Energy: 1.2775389128943768
Energy: 1.299647157227123
Energy: 1.2011536644392053
Energy: 1.2996471572313595
Energy: 1.1925312967317028
Energy: 1.4495024115300033
Energy: 1.4884443906321858
Energy: 1.4495024115325448
Energy: 1.363056381928512
Energy: 1.2460564793808262
Energy: 1.218550627790874
Energy: 1.2460564793850626
Energy: 1.1925317024348896
Energy: 1.4494204966748176
Energy: 1.4602318728088794
Energy: 1.4494204966705813

minimum gb energy = 1.178861255584709 eV
minimum distance =  2.15857382047777 Angstroms
sigma value = 29


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

Energy: 1.233853567532049
Energy: 1.4114393007042614
Energy: 1.819733412915503
Energy: 1.411439300704524
Energy: 1.2394667078131782
Energy: 1.3215555279115008
Energy: 1.2359125110665838
Energy: 1.3215555279120583
Energy: 1.2555718089999102
Energy: 1.3198613934605936
Energy: 1.3328001008248251
Energy: 1.3198613934600363
Energy: 1.2336088330452548
Energy: 1.3420003025494194
Energy: 1.2371467735238113
Energy: 1.3420003025482716
Energy: 1.2344305093764176
Energy: 1.3421532246641483
Energy: 1.2053476394977742
Energy: 1.3421532246647057
Energy: 1.256334717393688
Energy: 1.3956091142124771
Energy: 1.2562766275105166
Energy: 1.3956091142116247
Energy: 1.2054166455616386
Energy: 1.3421261736366557
Energy: 1.2342475479758501
Energy: 1.3421261736360983
Energy: 1.2371375968560745
Energy: 1.3420236126608067
Energy: 1.233616079604253
Energy: 1.3420236126602492
Energy: 1.3327952023451828
Energy: 1.3198437020893468
Energy: 1.2555334532288653
Energy: 1.3198437020893468

minimum gb energy = 1.2053476394977742 eV
minimum distance =  2.28839196618074 Angstroms
sigma value = 5


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

Energy: 1.2390581401740297
Energy: 1.2746266940962547
Energy: 1.6288394926878023
Energy: 1.2746266940954543
Energy: 1.3116460206081253
Energy: 1.284049736302316
Energy: 1.2030010255576515
Energy: 1.284049736303917
Energy: 1.199241244165031
Energy: 1.3216314188177878
Energy: 1.4355498553250547
Energy: 1.3216314188169873
Energy: 1.2099888788305515
Energy: 1.342434053293897
Energy: 1.2209869072566484
Energy: 1.3424340532954975
Energy: 1.2094186941092597
Energy: 1.3448532613386839
Energy: 1.447179211205097
Energy: 1.3448532613370834
Energy: 1.3030130747331428
Energy: 1.3338787417041538
Energy: 1.207628787363694
Energy: 1.3338787417057547
Energy: 1.1990005711370881
Energy: 1.3515467857975219
Energy: 1.204346139753396
Energy: 1.3515467857983223
Energy: 1.2047300941495704
Energy: 1.3250909924781291
Energy: 1.206585015186759
Energy: 1.3250909924757281
Energy: 1.2082930039060655
Energy: 1.345219702571828
Energy: 1.21514083246779
Energy: 1.3452197025702273
Energy: 1.2237646248370788
Energy: 1.3527037105149566
Energy: 1.2202065157920112
Energy: 1.3527037105149566
Energy: 1.2116333717689842
Energy: 1.3018747933030488
Energy: 1.202837922033937
Energy: 1.3018747933030488
Energy: 1.208206380828214
Energy: 1.3676627565793607
Energy: 1.3020749479709286
Energy: 1.367662756580161
Energy: 1.3686412986700225
Energy: 1.2765635640474748
Energy: 1.269045752943761
Energy: 1.2765635640466741
Energy: 1.2097601635124937
Energy: 1.334970944668192
Energy: 1.256024898451948
Energy: 1.334970944668192
Energy: 1.2599533532661609
Energy: 1.3464043420643501
Energy: 1.2027746921337676
Energy: 1.3464043420635496
Energy: 1.2128725982854145
Energy: 1.262941602574258
Energy: 1.398661952080396
Energy: 1.2629416025734572
Energy: 1.2512476347862107
Energy: 1.468811515279701
Energy: 1.201939239444605
Energy: 1.468811515280501
Energy: 1.210280089289705
Energy: 1.335503447172564
Energy: 1.4930430143820081
Energy: 1.335503447174965
Energy: 1.214102256873426
Energy: 1.3593637477378402
Energy: 1.2024508978607902
Energy: 1.3593637477370397
Energy: 1.1997179498437405
Energy: 1.5025467061598585
Energy: 1.253655629354251
Energy: 1.5025467061614592
Energy: 1.2104831260287816
Energy: 1.3310314015231715
Energy: 1.2171399627166974
Energy: 1.3310314015231715
Energy: 1.2101894175152077
Energy: 1.3451379822278235
Energy: 1.2101738739891386
Energy: 1.345137982227023
Energy: 1.2085651347115987
Energy: 1.3260102609490454
Energy: 1.2072344534415724
Energy: 1.3260102609506463
Energy: 1.3153005219265073
Energy: 1.2805805121745675
Energy: 1.2006861219117697
Energy: 1.2805805121753677
Energy: 1.2611216337484106
Energy: 1.257477189509268
Energy: 1.2027174900180586
Energy: 1.257477189509268
Energy: 1.2634256843185017
Energy: 1.3317997437712872
Energy: 1.2094589271997755
Energy: 1.3317997437712872
Energy: 1.210032323725768
Energy: 1.327920117280966
Energy: 1.2511974491497848
Energy: 1.3279201172833675
Energy: 1.4424187465610192
Energy: 1.2838267484497956
Energy: 1.2129625370983987
Energy: 1.2838267484497956
Energy: 1.206211172230223
Energy: 1.6387912428258633
Energy: 1.3169072496616967
Energy: 1.6387912428266636
Energy: 1.5036837178627467
Energy: 1.4340589890666138
Energy: 1.2102724440911945
Energy: 1.4340589890658133
Energy: 1.2015175351073892
Energy: 1.2360204631094078
Energy: 1.385473134189943
Energy: 1.2360204631094078
Energy: 1.4183199850051997
Energy: 1.4048802057204235
Energy: 1.2002631820830731
Energy: 1.404880205722024
Energy: 1.215172878861654
Energy: 1.3014650792134193
Energy: 1.207127295780898
Energy: 1.3014650792118185

minimum gb energy = 1.1990005711370881 eV
minimum distance =  2.16169012005752 Angstroms
sigma value = 1


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

Energy: 1.2316191134728347
Energy: 1.23109208411256
Energy: 1.6443475515392756
Energy: 1.2310920841192
Energy: 1.2493939604356143
Energy: 1.2234088231450149
Energy: 1.1673685682816914
Energy: 1.2234088231383748
Energy: 1.15852427349779
Energy: 1.3186685407799503
Energy: 1.3862592348936003
Energy: 1.3186685407777372
Energy: 1.1811541734488264
Energy: 1.330310594414544
Energy: 1.169296157845697
Energy: 1.3303105944123308
Energy: 1.1576942213799108
Energy: 1.3817335082698088
Energy: 1.210898556183714
Energy: 1.381733508265382
Energy: 1.1561986512610718
Energy: 1.2408060954043212
Energy: 1.1707783915023178
Energy: 1.2408060954054279
Energy: 1.1548161193913857
Energy: 1.3787189841679581
Energy: 1.2158952244451582
Energy: 1.3787189841701712
Energy: 1.1563050548830138
Energy: 1.418024104616873
Energy: 1.2220495208305957
Energy: 1.4180241046124464
Energy: 1.2383732936315914
Energy: 1.2242834628392416
Energy: 1.2370362689400454
Energy: 1.224283462843668
Energy: 1.2379856192079322
Energy: 1.2242958950999492
Energy: 1.2215894207757119
Energy: 1.2242958950988427
Energy: 1.156239743925626
Energy: 1.3096788105207855
Energy: 1.181791821118885
Energy: 1.3096788105163588
Energy: 1.154839773441529
Energy: 1.3787025001989837
Energy: 1.2160332490442307
Energy: 1.37870250020009
Energy: 1.1562068831862256
Energy: 1.2408038948995004
Energy: 1.1705783147848863
Energy: 1.240803894897287
Energy: 1.1576717525619733
Energy: 1.3816773154076532
Energy: 1.2211276919425393
Energy: 1.3816773154065465
Energy: 1.1812172728143635
Energy: 1.3300745165745342
Energy: 1.1692979403193067
Energy: 1.330074516581174
Energy: 1.1585278910648023
Energy: 1.3186857961433525
Energy: 1.1662529039206722
Energy: 1.3186857961444591
Energy: 1.247827830423882
Energy: 1.2232130170847322
Energy: 1.167355331055908
Energy: 1.2232130170780924
Energy: 1.2316191134728347
Energy: 1.23109208411256
Energy: 1.457730094397806
Energy: 1.2310920841192
Energy: 1.249393960436721
Energy: 1.2234088231450149
Energy: 1.1673685682816914
Energy: 1.2234088231383748
Energy: 1.15852427349779
Energy: 1.3186685407799503
Energy: 1.5438312854137375
Energy: 1.3186685407777372
Energy: 1.1811541734499331
Energy: 1.3303105944156506
Energy: 1.1692961578468037
Energy: 1.330310594414544
Energy: 1.157694221378804
Energy: 1.3817335082698088
Energy: 1.1866309746816674
Energy: 1.3817335082664888
Energy: 1.1561986512588587
Energy: 1.2408060954043212
Energy: 1.1707783915023178
Energy: 1.2408060954054279
Energy: 1.154816119390279
Energy: 1.3787189841679581
Energy: 1.2042762985577031
Energy: 1.3787189841701712

minimum gb energy = 1.154816119390279 eV
minimum distance =  2.16520551066428 Angstroms
sigma value = 17


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

Energy: 1.233651696214216
Energy: 1.2332544222729012
Energy: 1.5600715336417534
Energy: 1.2332544222722173
Energy: 1.2184331955550374
Energy: 1.2024511264746955
Energy: 1.1848327381853576
Energy: 1.2024511264753799
Energy: 1.189490434572989
Energy: 1.3236537414314815
Energy: 1.3295080949366593
Energy: 1.3236537414328493
Energy: 1.2715739514472617
Energy: 1.3714975977261985
Energy: 1.1675966526773438
Energy: 1.3714975977241466
Energy: 1.162191651231883
Energy: 1.4086651361160718
Energy: 1.2082215828473706
Energy: 1.4086651361147038
Energy: 1.1732031306399178
Energy: 1.395524698694093
Energy: 1.184458926685895
Energy: 1.395524698692041
Energy: 1.18908663167341
Energy: 1.302972265592508
Energy: 1.2400839018800454
Energy: 1.302972265593876
Energy: 1.163934735334174
Energy: 1.2780637644200876
Energy: 1.1633281773412503
Energy: 1.2780637644207717
Energy: 1.2260344107813352
Energy: 1.3912301156963225
Energy: 1.2286291626993426
Energy: 1.3912301156949543
Energy: 1.228358988045396
Energy: 1.4185113495588064
Energy: 1.176198141105213
Energy: 1.4185113495588064
Energy: 1.1681409500094597
Energy: 1.245048736134411
Energy: 1.1736988650921043
Energy: 1.2450487361364628
Energy: 1.1661814629527771
Energy: 1.286574304548339
Energy: 1.1654696109834102
Energy: 1.286574304548339
Energy: 1.1701397065998589
Energy: 1.3935382247280008
Energy: 1.1880703015669094
Energy: 1.3935382247259487
Energy: 1.163506650748734
Energy: 1.3259282554653922
Energy: 1.2745943878270565
Energy: 1.3259282554653922
Energy: 1.1647234834927656
Energy: 1.3720648417720456
Energy: 1.2494290609117649
Energy: 1.3720648417740975
Energy: 1.1651204319541137
Energy: 1.3637573182818399
Energy: 1.2031290361511107
Energy: 1.363757318279788
Energy: 1.2141726966019968
Energy: 1.370824028774218
Energy: 1.1878033175121607
Energy: 1.370824028775586
Energy: 1.1644349002596655
Energy: 1.328428938229145
Energy: 1.1822970644452462
Energy: 1.3284289382311967
Energy: 1.2292798031101624
Energy: 1.555870196918173
Energy: 1.185237228672127
Energy: 1.555870196919541
Energy: 1.1826400362988785
Energy: 1.21466786736171
Energy: 1.3977674981830952
Energy: 1.214667867361026
Energy: 1.1914715530162356
Energy: 1.1994300511043852
Energy: 1.166301454735707
Energy: 1.199430051103701
Energy: 1.1663819027146753
Energy: 1.3757512637106213
Energy: 1.3388572730706416
Energy: 1.3757512637113052
Energy: 1.31769444471974
Energy: 1.3821090232231246
Energy: 1.188544878619414
Energy: 1.3821090232251767
Energy: 1.1869877833413727
Energy: 1.3892677689671862
Energy: 1.3901832982815876
Energy: 1.3892677689685542
Energy: 1.2102288692990104
Energy: 1.3281676344390536
Energy: 1.169864099436178
Energy: 1.3281676344383693
Energy: 1.1848648343274344
Energy: 1.3297790441602797
Energy: 1.2093676288540234
Energy: 1.3297790441582276
Energy: 1.3592375535570027
Energy: 1.4304518288464534
Energy: 1.1785271540051252
Energy: 1.4304518288437176
Energy: 1.2485233094138024
Energy: 1.3712522649709782
Energy: 1.165246124429465
Energy: 1.3712522649709782
Energy: 1.2630321573966508
Energy: 1.325364081287753
Energy: 1.1640469199490429
Energy: 1.3253640812891205
Energy: 1.1673248989467013
Energy: 1.3952326187842212
Energy: 1.2366093111166183
Energy: 1.395232618783537
Energy: 1.1658767866712003
Energy: 1.3260256054682755
Energy: 1.182209735415101
Energy: 1.3260256054675914
Energy: 1.1743746108963593
Energy: 1.2448006360896102
Energy: 1.1728851570622238
Energy: 1.2448006360902941
Energy: 1.1660447197816892
Energy: 1.418555482995279
Energy: 1.3846035473425353
Energy: 1.418555482991859
Energy: 1.2064810148843848
Energy: 1.3913707124882995
Energy: 1.2018107122320532
Energy: 1.3913707124889834
Energy: 1.1615928850820463
Energy: 1.2859657317213848
Energy: 1.2311235883059153
Energy: 1.2859657317220687
Energy: 1.2347077502183021
Energy: 1.3053427590090236
Energy: 1.1885188036707381
Energy: 1.3053427590090236
Energy: 1.1886868411419125
Energy: 1.3950419026911558
Energy: 1.1720939689327219
Energy: 1.3950419026911558
Energy: 1.1942282951779795
Energy: 1.4287623639826894
Energy: 1.1885648126199455
Energy: 1.4287623639833735

minimum gb energy = 1.1615928850820463 eV
minimum distance =  2.14780761960872 Angstroms
sigma value = 89


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

Energy: 1.0937644808114095
Energy: 1.093728367176832
Energy: 1.632969697027587
Energy: 1.093728367176832
Energy: 1.0866785663829515
Energy: 1.1397286288997872
Energy: 1.093205417782922
Energy: 1.1397286288979973
Energy: 1.085478053138071
Energy: 1.3371702221423212
Energy: 1.0925471202340575
Energy: 1.3371702221423212
Energy: 1.1074429590157655
Energy: 1.1396641489422368
Energy: 1.093372784212977
Energy: 1.139664148940447
Energy: 1.0960529719544252
Energy: 1.0940801614249345
Energy: 1.1367486039834953
Energy: 1.0940801614249345
Energy: 1.093954325143341
Energy: 1.0955315637907372
Energy: 1.0978927457148748
Energy: 1.0955315637907372
Energy: 1.113123613650512
Energy: 1.3465158056015045
Energy: 1.0857135818865695
Energy: 1.3465158056015045
Energy: 1.112932614183761
Energy: 1.361754809858772
Energy: 1.0934742464629694
Energy: 1.361754809858772
Energy: 1.0949064517858502
Energy: 1.2321423326850056
Energy: 1.1378215931909827
Energy: 1.2321423326850056
Energy: 1.1138406837677763
Energy: 1.2715278298089006
Energy: 1.0935298429047628
Energy: 1.2715278298089006
Energy: 1.0933163335299558
Energy: 1.141737636708723
Energy: 1.0953067048123484
Energy: 1.141737636708723
Energy: 1.0855941021641287
Energy: 1.346670490038097
Energy: 1.0940485817520835
Energy: 1.346670490038097
Energy: 1.0954259446554304
Energy: 1.2309870345057996
Energy: 1.0914030010627447
Energy: 1.2309870345057996
Energy: 1.0930445845541144
Energy: 1.231637817787656
Energy: 1.0929574942936213
Energy: 1.231637817787656
Energy: 1.1137081829983138
Energy: 1.2309952223421416
Energy: 1.0956312399419568
Energy: 1.2309952223421416

minimum gb energy = 1.085478053138071 eV
minimum distance =  2.18985957593279 Angstroms
sigma value = 13


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

Energy: 1.2174625192896877
Energy: 1.070544488775096
Energy: 1.4686034312302267
Energy: 1.0705444887735958
Energy: 1.253015627194068
Energy: 1.2639519175990506
Energy: 1.0491554699616994
Energy: 1.2639519175983005
Energy: 1.0740549892168976
Energy: 1.2648049125739627
Energy: 1.2827583259115554
Energy: 1.264804912569462
Energy: 1.0762907849698027
Energy: 1.185181579478151
Energy: 1.0616600838171901
Energy: 1.1851815794804013
Energy: 1.0540215645903914
Energy: 1.4766227886279033
Energy: 1.1751550425444273
Energy: 1.476622788625653
Energy: 1.0648326658229446
Energy: 1.1801926696090248
Energy: 1.1811138693384773
Energy: 1.1801926696097753
Energy: 1.061282308287699
Energy: 1.3549266336051076
Energy: 1.2719291465473297
Energy: 1.3549266336103585
Energy: 1.0526305539871013
Energy: 1.4740493207700986
Energy: 1.1811430033702046
Energy: 1.4740493207693484
Energy: 1.0618439013273462
Energy: 1.1744526697868651
Energy: 1.060266485729336
Energy: 1.1744526697891156
Energy: 1.2716848736170925
Energy: 1.376960905223118
Energy: 1.0616468486729467
Energy: 1.376960905217867
Energy: 1.081273369909015
Energy: 1.190511088267798
Energy: 1.1636350861468252
Energy: 1.1905110882692982
Energy: 1.2192681131658087
Energy: 1.491994657867817
Energy: 1.0534911212688667
Energy: 1.4919946578723178
Energy: 1.1308379459570157
Energy: 1.0748808507177345
Energy: 1.0786263499396487
Energy: 1.0748808507169847
Energy: 1.4752915319521929
Energy: 1.1997603366238072
Energy: 1.0506323722253081
Energy: 1.199760336617056
Energy: 1.081495778391206
Energy: 1.2612260590807967
Energy: 1.0778406601934216
Energy: 1.2612260590957993
Energy: 1.1579857843903727
Energy: 1.205726664810656
Energy: 1.0649201782638686
Energy: 1.2057266648151566
Energy: 1.0670807829935334
Energy: 1.1602884189473839
Energy: 1.0559695846411792
Energy: 1.160288418942133
Energy: 1.0718467641732676
Energy: 1.1667791695209502
Energy: 1.204887576902047
Energy: 1.1667791695209502
Energy: 1.071287117757195
Energy: 1.311455994359878
Energy: 1.2086153473151824
Energy: 1.3114559943583781
Energy: 1.0716500275543268
Energy: 1.159319827601712
Energy: 1.204447293078964
Energy: 1.1593198275964613
Energy: 1.069546202688043
Energy: 1.193062137262794
Energy: 1.1859627250056115
Energy: 1.193062137262794
Energy: 1.0724680657413093
Energy: 1.3363485559484087
Energy: 1.0652234422010416
Energy: 1.3363485559499089
Energy: 1.1684301450106556
Energy: 1.2057795047854998
Energy: 1.063099266903955
Energy: 1.20577950478625
Energy: 1.0794634744486031
Energy: 1.0579856853402458
Energy: 1.06699916518691
Energy: 1.0579856853447467
Energy: 1.296840973205196
Energy: 1.2560504118050229
Energy: 1.0543584006496407
Energy: 1.2560504118027724
Energy: 1.2238088050671978
Energy: 1.1164251227659503
Energy: 1.0754753212972894
Energy: 1.1164251227667006
Energy: 1.1306398685883463
Energy: 1.439731237510871
Energy: 1.0534873058019156
Energy: 1.4397312375131215
Energy: 1.0833815983455581
Energy: 1.190621358357113
Energy: 1.1790456631074928
Energy: 1.190621358356363
Energy: 1.16380137354821
Energy: 1.5147043670082694
Energy: 1.0651822418950119
Energy: 1.5147043669955171
Energy: 1.0620422644780128
Energy: 1.2451513265390313
Energy: 1.3071864437886165
Energy: 1.2451513265397816
Energy: 1.052849922042441
Energy: 1.3747157090837516
Energy: 1.1871597805448448
Energy: 1.3747157090867521
Energy: 1.0584674766370745
Energy: 1.5362259487652858
Energy: 1.3870481606920597
Energy: 1.5362259487645358
Energy: 1.070128567198685
Energy: 1.1088763620292843
Energy: 1.1872329394652603
Energy: 1.108876362021783
Energy: 1.056230076541202
Energy: 1.0681551992690848
Energy: 1.2147192868365912
Energy: 1.068155199269835
Energy: 1.2463815096241015
Energy: 1.2802485443204976
Energy: 1.065129300348472
Energy: 1.2802485443159968

minimum gb energy = 1.0491554699616994 eV
minimum distance =  2.1044556353078 Angstroms
sigma value = 37


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

Energy: 1.0425653867243379
Energy: 1.0421051643226287
Energy: 1.5099778471090013
Energy: 1.0421051643213382
Energy: 1.0755829349021038
Energy: 1.2624662338030885
Energy: 0.9752175387916848
Energy: 1.2624662338030885
Energy: 0.983102043580472
Energy: 1.0120316142074344
Energy: 0.9757822959110358
Energy: 1.012031614208725
Energy: 0.9640186393398591
Energy: 1.0234658132781211
Energy: 0.9752949333769539
Energy: 1.0234658132794117
Energy: 0.9626965242610677
Energy: 1.0240647989493703
Energy: 1.0023198668464517
Energy: 1.0240647989493703
Energy: 0.9798586403028614
Energy: 1.2624931731202407
Energy: 0.9864287982531573
Energy: 1.2624931731202407
Energy: 0.9767708273939475
Energy: 1.5997949376749125
Energy: 1.028783515877292
Energy: 1.5997949376762028
Energy: 0.9735447157181214
Energy: 1.042629366561888
Energy: 1.0452895494524044
Energy: 1.042629366561888
Energy: 0.9630163274156768
Energy: 1.2627832815697306
Energy: 1.219488119847457
Energy: 1.2627832815697306
Energy: 1.3147880084102932
Energy: 1.0116719646840826
Energy: 0.9862768742807141
Energy: 1.0116719646879544
Energy: 0.9763552114756586
Energy: 1.075260107597699
Energy: 0.9634805099921422
Energy: 1.075260107597699
Energy: 1.3348494940236209
Energy: 1.042440674097545
Energy: 0.9753653940551082
Energy: 1.0424406740962544
Energy: 0.9639779800628908
Energy: 1.2622823638965575
Energy: 1.007642181748504
Energy: 1.2622823638978478
Energy: 1.0298800815893006
Energy: 1.133065200999923
Energy: 0.9755545215660854
Energy: 1.1330652009973416
Energy: 1.0235715332774762
Energy: 1.1008519616487107
Energy: 0.9757678447154936
Energy: 1.1008519616487107
Energy: 1.004955021352535
Energy: 1.0423493137713307
Energy: 0.9755469651527929
Energy: 1.0423493137713307
Energy: 0.96418102302083
Energy: 1.011426186204263
Energy: 0.9866623570730231
Energy: 1.0114261862068439
Energy: 0.9645326138191802
Energy: 1.1008333173343905
Energy: 0.9755859232484488
Energy: 1.1008333173343905
Energy: 0.9762138829918878
Energy: 1.023423688088864
Energy: 0.9737678530229514
Energy: 1.0234236880901544
Energy: 0.9737703961113903
Energy: 1.0423022877221166
Energy: 0.9628788200551255
Energy: 1.0423022877221166

minimum gb energy = 0.9626965242610677 eV
minimum distance =  2.21863359316224 Angstroms
sigma value = 25


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

Energy: 0.9838889560063048
Energy: 0.8921283097507854
Energy: 1.16007341736389
Energy: 0.8921283097497775
Energy: 1.2322892534249446
Energy: 1.1621076007545343
Energy: 0.9066576848430237
Energy: 1.162107600755542
Energy: 0.9210125642974443
Energy: 0.8962363237843057
Energy: 0.8832674271329274
Energy: 0.8962363237843057
Energy: 1.0075787279896198
Energy: 1.408809142065131
Energy: 0.9068685202237795
Energy: 1.408809142065131
Energy: 0.8911484932244502
Energy: 1.408141154789991
Energy: 0.944133078298957
Energy: 1.408141154789991
Energy: 0.8802883470963381
Energy: 1.1633174252414413
Energy: 0.8925985424186862
Energy: 1.163317425238418
Energy: 0.90737104418631
Energy: 1.1599828086083854
Energy: 0.968174770049458
Energy: 1.159982808609393
Energy: 0.885577205972672
Energy: 0.94726409631811
Energy: 0.9230210299157011
Energy: 0.9472640963191178
Energy: 0.8914475569932631
Energy: 1.4072950215721505
Energy: 1.3550705154548444
Energy: 1.4072950215731583
Energy: 0.8811459319547894
Energy: 1.1326858460592906
Energy: 0.9487413589107764
Energy: 1.1326858460532438
Energy: 0.9077980721640707
Energy: 0.9210618359485809
Energy: 1.2315362050946548
Energy: 0.9210618359485809
Energy: 1.2128964192313416
Energy: 1.4718787260237483
Energy: 0.9230088661883598
Energy: 1.4718787260227406
Energy: 0.8906196958410526
Energy: 0.9172653661464659
Energy: 1.1201956426406041
Energy: 0.9172653661454583
Energy: 1.1982804009474595
Energy: 1.3926415868726794
Energy: 0.8925291252781619
Energy: 1.3926415868726794
Energy: 0.9077543985327816
Energy: 0.92132024093337
Energy: 0.8760567552749143
Energy: 0.9213202409313545
Energy: 0.9666170792389452
Energy: 1.5233971943858875
Energy: 0.8946852445914728
Energy: 1.5233971943868951
Energy: 0.8909120493120528
Energy: 0.9490063960845566
Energy: 0.8841445541311322
Energy: 0.9490063960855643
Energy: 0.9998486839532336
Energy: 1.1532633492888968
Energy: 0.8899336878665098
Energy: 1.153263349287889
Energy: 0.986298794784784
Energy: 1.1595274725417526
Energy: 0.8803820018203135
Energy: 1.1595274725417526
Energy: 1.231897902639902
Energy: 1.2808412652118815
Energy: 0.89508831630843
Energy: 1.2808412652118815
Energy: 0.8903533943146471
Energy: 1.4701616726679525
Energy: 0.9092839905658234
Energy: 1.4701616726669904
Energy: 0.8919983930109823
Energy: 0.9321856610873832
Energy: 0.8901394032757188
Energy: 0.9321856610873832
Energy: 0.9078136269177045
Energy: 1.1604079394271303
Energy: 1.169565381498942
Energy: 1.160407939428138
Energy: 0.8761722624389007
Energy: 1.1024020238260137
Energy: 0.9103643466240403
Energy: 1.1024020238270213
Energy: 0.8968297746948098
Energy: 1.4332982080001155
Energy: 1.0099104718494176
Energy: 1.4332982079980998
Energy: 0.8800631802808353
Energy: 0.9439019291606788
Energy: 0.8900177793764865
Energy: 0.9439019291626944

minimum gb energy = 0.8760567552749143 eV
minimum distance =  2.30442540628271 Angstroms
sigma value = 41


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

Energy: 1.2268369867313103
Energy: 1.247819389981754
Energy: 1.2924856515870937
Energy: 1.24781938998258
Energy: 1.3588435317517047
Energy: 1.0309598725799576
Energy: 0.8128189371354686
Energy: 1.0309598725783053
Energy: 0.8705020959161665
Energy: 1.2308155187004182
Energy: 1.3274647273692155
Energy: 1.2308155187004182
Energy: 1.083364498965985
Energy: 1.238128367057053
Energy: 0.812873173773802
Energy: 1.238128367057053
Energy: 0.8364428358630556
Energy: 1.2663687039173546
Energy: 0.8896540739321446
Energy: 1.2663687039148759
Energy: 0.886436561020532
Energy: 1.020407259645351
Energy: 0.8247876435984257
Energy: 1.0204072596470033
Energy: 0.812584727798768
Energy: 1.2353682337229155
Energy: 0.8822877555602837
Energy: 1.2353682337220893
Energy: 0.8080342743049889
Energy: 1.0360176198346123
Energy: 0.8376032190057826
Energy: 1.0360176198362645
Energy: 0.8259604534726247
Energy: 1.3143660574366391
Energy: 1.3160458974535099
Energy: 1.314366057435813
Energy: 0.8170725728604262
Energy: 1.009803697453612
Energy: 0.8573627278243081
Energy: 1.0098036974519595
Energy: 0.8125124045331238
Energy: 1.2374629072633359
Energy: 1.359076627749122
Energy: 1.2374629072658148
Energy: 0.8052720424453559
Energy: 1.2492794646012213
Energy: 1.228232517011602
Energy: 1.2492794646028738
Energy: 0.8256318271394069
Energy: 1.305702614876947
Energy: 1.4977557291427706
Energy: 1.305702614877773
Energy: 1.1177273805376142
Energy: 0.8520042904388047
Energy: 0.8570977973318813
Energy: 0.8520042904338474
Energy: 0.8128048109456136
Energy: 1.0204173416321365
Energy: 1.086344787964749
Energy: 1.0204173416313105
Energy: 1.1086093673677186
Energy: 1.2621242299397912
Energy: 0.8375606811528298
Energy: 1.2621242299397912
Energy: 0.825467432591436
Energy: 1.30539082566586
Energy: 1.0880265414425803
Energy: 1.30539082566586
Energy: 0.880938185252
Energy: 0.8517169753452994
Energy: 0.8246004075229284
Energy: 0.8517169753419946
Energy: 0.8125811297805461
Energy: 0.8434653695201088
Energy: 0.8076174975482786
Energy: 0.8434653695192827
Energy: 0.9291249266900883
Energy: 1.0356869142524798
Energy: 0.8290417042662049
Energy: 1.0356869142590894
Energy: 0.840946980529779
Energy: 1.1183408344637893
Energy: 0.8242839485086924
Energy: 1.1183408344629633
Energy: 1.3603727666174985
Energy: 1.4548280192081977
Energy: 0.813493010651127
Energy: 1.4548280192098502
Energy: 1.2314695954533195
Energy: 1.0350999181867915
Energy: 0.8094154701196639
Energy: 1.0350999181859653
Energy: 1.1399865842613683
Energy: 1.303972347288816
Energy: 0.8150639574621673
Energy: 1.3039723472871638
Energy: 0.8413023547420305
Energy: 0.8518854925756513
Energy: 0.8275722448594581
Energy: 0.8518854925682154
Energy: 1.2057767880976724
Energy: 0.8684423449109796
Energy: 0.8135911877985035
Energy: 0.8684423449076747
Energy: 0.8125753595481778
Energy: 1.2513307785390018
Energy: 1.0464942117812905
Energy: 1.2513307785373495
Energy: 0.8143045603531723
Energy: 1.3032780801812847
Energy: 0.8156105603418706
Energy: 1.3032780801821109
Energy: 0.8255047819963697
Energy: 0.8653453774039362
Energy: 0.8814460882375238
Energy: 0.8653453774047624
Energy: 0.8053412362534934
Energy: 1.3445766356642337
Energy: 0.8122384176553807
Energy: 1.3445766356667124
Energy: 0.8175202189340746
Energy: 1.034601814074777
Energy: 0.9294969750668386
Energy: 1.034601814074777
Energy: 0.8056908984328045
Energy: 1.1158434523634844
Energy: 0.8409280271442496
Energy: 1.1158434523643106

minimum gb energy = 0.8052720424453559 eV
minimum distance =  2.21791194963864 Angstroms
sigma value = 15


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

Energy: 1.1219254927939561
Energy: 1.3394666286220078
Energy: 1.0033884218294136
Energy: 1.3394666286220078
Energy: 1.389685778949617
Energy: 0.9331141104637154
Energy: 0.7692300294144375
Energy: 0.9331141104623155
Energy: 0.8251640070029551
Energy: 1.0986671191010189
Energy: 1.264809633164485
Energy: 1.0986671190989192
Energy: 1.2227733669624807
Energy: 0.9373363801073108
Energy: 0.7691281337371403
Energy: 0.9373363801052111
Energy: 0.7924777942620644
Energy: 1.2398725126672734
Energy: 0.8158766899017097
Energy: 1.2398725126658736
Energy: 0.9854519696252704
Energy: 0.9330236753277176
Energy: 0.7691080612604846
Energy: 0.9330236753277176
Energy: 0.7950972115782003
Energy: 1.1101578362539999
Energy: 0.8180837835944532
Energy: 1.1101578362547
Energy: 0.8208929414750866
Energy: 1.1101633500442327
Energy: 0.7690260129027146
Energy: 1.1101633500428327
Energy: 0.7813203473885076
Energy: 0.7829486806447997
Energy: 1.0826438273287065
Energy: 0.7829486806413001
Energy: 0.7510726994473077
Energy: 0.9331291128476931
Energy: 0.7932714443991661
Energy: 0.9331291128455933
Energy: 0.7950044952786494
Energy: 0.9403222256015654
Energy: 1.2039103206341035
Energy: 0.9403222256015654
Energy: 0.7563180473245388
Energy: 1.0997314421438156
Energy: 0.8137033090524347
Energy: 1.0997314421438156
Energy: 0.7810944548889619
Energy: 0.7821610559349901
Energy: 1.4447040955077515
Energy: 0.7821610559370897
Energy: 0.7485074759429082
Energy: 0.7698907385765399
Energy: 1.122414813216857
Energy: 0.7698907385786395
Energy: 0.7690498087834203
Energy: 0.9327311592331717
Energy: 1.3898889108317432
Energy: 0.9327311592317721
Energy: 1.0518191003749506
Energy: 1.0998853970565847
Energy: 0.7994139157202427
Energy: 1.0998853970537852
Energy: 0.7814468176324437
Energy: 0.7826766245995959
Energy: 1.3163672514529365
Energy: 0.7826766245995959
Energy: 1.2415253013524565
Energy: 1.3110761837298288
Energy: 0.7931286563446702
Energy: 1.3110761837298288
Energy: 0.768686271902471
Energy: 0.9329248578782446
Energy: 0.9858026226107006
Energy: 0.932924857882444
Energy: 0.8140570565359153
Energy: 1.118589582932325
Energy: 0.7689488533247165
Energy: 1.118589582931625
Energy: 0.7813631089135026
Energy: 0.974164517873412
Energy: 0.9094097041568259
Energy: 0.9741645178727122
Energy: 0.825372702853542
Energy: 0.7853155739439011
Energy: 0.7836497412125312
Energy: 0.7853155739418014
Energy: 0.7948269167671533
Energy: 0.7688085745830565
Energy: 0.7503887513515083
Energy: 0.7688085745830565
Energy: 1.2041871774963988
Energy: 0.932845198564072
Energy: 0.7956099733208636
Energy: 0.9328451985619722
Energy: 0.7986580340455723
Energy: 0.8014126639431334
Energy: 0.7566008409462599
Energy: 0.801412663944533
Energy: 1.2891930556482367
Energy: 0.7824978555171646
Energy: 0.7706393607249893
Energy: 0.7824978555157647
Energy: 1.124986464891212
Energy: 0.7704337209578954
Energy: 0.7486220999086436
Energy: 0.7704337209487967
Energy: 1.3907627110785858
Energy: 0.9326357482810124
Energy: 0.795515858079368
Energy: 0.932635748282412
Energy: 0.7989390023315244
Energy: 1.3356239832325887
Energy: 0.7598820330363918
Energy: 1.3356239832311887
Energy: 1.0051555562678598
Energy: 0.7828965249941587
Energy: 0.7708462020849817
Energy: 0.7828965249871598
Energy: 0.7690938576407811
Energy: 1.312062481957084
Energy: 1.044099718110289
Energy: 1.3120624819563842
Energy: 0.9959014796534894
Energy: 0.9329149527660683
Energy: 0.7956869986804697
Energy: 0.9329149527688679
Energy: 0.781255264903419
Energy: 1.3371097768840052
Energy: 0.8138041341690068
Energy: 1.3371097768833056
Energy: 0.7544136174574914
Energy: 0.9604285548128376
Energy: 0.770462740497567
Energy: 0.9604285548142375
Energy: 0.7591006941791734
Energy: 1.311328050498436
Energy: 0.8469952060221482
Energy: 1.311328050497736
Energy: 0.7504620796943415
Energy: 0.7692001835863156
Energy: 0.7688281159626451
Energy: 0.7692001835870154
Energy: 0.7710200737945359
Energy: 1.2636758104840573
Energy: 1.1526382040203467
Energy: 1.2636758104833572

minimum gb energy = 0.7485074759429082 eV
minimum distance =  2.18477729843305 Angstroms
sigma value = 85


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

Energy: 1.1412076574154466
Energy: 0.7926298283240569
Energy: 0.9255378080555016
Energy: 0.7926298283240569
Energy: 1.4330972450222341
Energy: 0.8818550784085911
Energy: 0.7046612472838215
Energy: 0.8818550784164825
Energy: 1.093309286209793
Energy: 0.9660808712541922
Energy: 1.189564390628592
Energy: 0.966080871251157
Energy: 1.3485351174850801
Energy: 0.8755266891951882
Energy: 0.704836842829949
Energy: 0.8755266891951882
Energy: 0.8548779969215881
Energy: 0.9232160984580349
Energy: 0.9430356006040508
Energy: 0.9232160984580349
Energy: 1.2137900085144067
Energy: 0.9620677761551536
Energy: 0.7048840705498638
Energy: 0.9620677761551536
Energy: 0.8006439435667945
Energy: 1.0394890321847785
Energy: 0.8566275390369403
Energy: 1.0394890321866
Energy: 1.0160250210733353
Energy: 0.8942849165143736
Energy: 0.7138355904992545
Energy: 0.8942849165161948
Energy: 0.714158006766258
Energy: 0.9993869352652338
Energy: 1.0886689153108315
Energy: 0.9993869352688486
Energy: 0.9762528728118236
Energy: 1.021923789000002
Energy: 0.8011735884441765
Energy: 1.021923788998181
Energy: 0.70556927689123
Energy: 0.8733748942319854
Energy: 1.165325799930105
Energy: 0.8733748942362346
Energy: 0.7648433265229972
Energy: 0.8335850374100209
Energy: 0.8515305320352916
Energy: 0.8335850374106278
Energy: 0.7047493070382465
Energy: 0.9999004443346835
Energy: 1.3904592479913513
Energy: 0.9999004443340765
Energy: 0.6968283444938644
Energy: 0.9664637325516033
Energy: 1.0938478314684972
Energy: 0.9664637325522103
Energy: 0.7053522285831727
Energy: 0.8741044523648326
Energy: 1.4336760174153487
Energy: 0.8741044523617975
Energy: 0.6788955272986242
Energy: 0.7879911686674119
Energy: 1.0697831349530655
Energy: 0.7879911686655907
Energy: 0.7048681571566202
Energy: 0.9999516189714621
Energy: 1.3834268416772928
Energy: 0.9999516189738903
Energy: 0.9886460328675983
Energy: 0.9664148296997919
Energy: 1.0938671497398813
Energy: 0.9664148296985778
Energy: 0.7064721855451339
Energy: 0.8941624608822077
Energy: 1.347973078046841
Energy: 0.8941624608785657
Energy: 1.165444311280985
Energy: 0.9943269561808716
Energy: 0.8513937663792182
Energy: 0.9943269561778365
Energy: 0.704153194840051
Energy: 0.9417511908057153
Energy: 1.287969417122677
Energy: 0.9417511908051084
Energy: 0.8578575629089356
Energy: 0.874275488388768
Energy: 0.8011604872757666
Energy: 0.8742754883918032
Energy: 0.7142507785116178
Energy: 0.8284008241343516
Energy: 1.008432506664245
Energy: 0.8284008241379938
Energy: 0.8705114777872045
Energy: 0.810785783102706
Energy: 0.7137123708032781
Energy: 0.810785783105741
Energy: 0.7792314601607224
Energy: 0.9512701073343448
Energy: 0.9397603829487158
Energy: 0.9512701073325237
Energy: 1.1651978144285782
Energy: 0.8987555626002405
Energy: 0.7058131853995478
Energy: 0.8987555625990263
Energy: 0.8528871081430217
Energy: 0.7722249031005562
Energy: 0.753674468615557
Energy: 0.7722249030969143
Energy: 1.1929223879755482
Energy: 0.8110134148445951
Energy: 0.706891250254176
Energy: 0.8110134148452022
Energy: 1.0813983869896042
Energy: 1.102950359071511
Energy: 0.7747529898341423
Energy: 1.1029503590678689
Energy: 1.4347474737754962
Energy: 0.8739900148584648
Energy: 0.706636207858155
Energy: 0.8739900148590719
Energy: 1.1332874024106792
Energy: 0.8045918065473864
Energy: 0.6787585357117342
Energy: 0.8045918065443511
Energy: 1.3568119102591236
Energy: 0.8625794998002669
Energy: 0.7069866216580492
Energy: 0.862579499801481
Energy: 1.0872946739684801
Energy: 0.8415449617046227
Energy: 0.6949848912772145
Energy: 0.8415449617034086
Energy: 1.348957763231299
Energy: 0.8778742215651664
Energy: 0.7055377768345379
Energy: 0.8778742215615242
Energy: 0.8528266777597611
Energy: 0.9313645501303615
Energy: 0.8546510531418289
Energy: 0.9313645501267193
Energy: 1.15209136524244
Energy: 0.8810646465933953
Energy: 0.7041488800030025
Energy: 0.8810646465927884
Energy: 0.7793061299151152
Energy: 0.8871891837134893
Energy: 0.8570457001707755
Energy: 0.8871891837110613
Energy: 1.1355008615516176
Energy: 0.8280123544384489
Energy: 0.7146533172790936
Energy: 0.8280123544402699
Energy: 0.71424138766424
Energy: 0.9314474993820987
Energy: 0.8692845132825744
Energy: 0.9314474993784565
Energy: 0.7573658518259698
Energy: 0.8925865104307706
Energy: 0.7787501961504577
Energy: 0.8925865104325919
Energy: 0.7060663580652742
Energy: 0.8733511865662346
Energy: 1.1655727834304155
Energy: 0.8733511865668415
Energy: 0.7653377138908397
Energy: 0.771671236420896
Energy: 0.8391036114943328
Energy: 0.771671236426359
Energy: 0.7062778432250613
Energy: 0.9313629222370619
Energy: 1.193005612638068
Energy: 0.9313629222346338

minimum gb energy = 0.6787585357117342 eV
minimum distance =  2.20157331174199 Angstroms
sigma value = 113


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

Energy: 0.020530629378405187
Energy: 0.021297529487842946
Energy: 1.2550269298644974
Energy: 0.021297529490591008
Energy: 0.5917349083166469
Energy: 0.47708189467534373
Energy: 0.4768884117878726
Energy: 0.47708189467487705
Energy: 0.020530629377938536
Energy: 0.021297529487842946
Energy: 1.2550269298640306
Energy: 0.021297529491057662
Energy: 0.5917349083175802
Energy: 0.47708189467399564
Energy: 0.476888411517422
Energy: 0.47708189467399564
Energy: 0.020530629378405187
Energy: 0.021297529487842946
Energy: 1.2550269298644974
Energy: 0.021297529490591008
Energy: 0.5917349083166469
Energy: 0.47708189467306233
Energy: 0.47688844225623744
Energy: 0.4770818946762771

minimum gb energy = 0.020530629377938536 eV
minimum distance =  2.48937766718288 Angstroms
sigma value = 1