Model name: model_name=EAM_CubicNaturalSpline_AngeloMoodyBaskes_1995_Ni__MO_800536961967_003 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=3.5199999883770943 cohesive_energy=4.450349977830181 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0615366967341399e-19, 2.9134941218636397e-19, 3.56125413498984e-19, 4.0865277444467394e-19, 4.526549535208499e-19, 4.90224393411516e-19, 5.22692502899526e-19, 5.509709204896259e-19, 5.7571814077839e-19, 5.974308385223579e-19, 6.164951382903239e-19, 6.332186579960159e-19, 6.47852939370972e-19, 6.606014588477099e-19, 6.7164045585597e-19, 6.8111733064608e-19, 6.891570529954919e-19, 6.95870173091952e-19, 7.01354423710134e-19, 7.05691515858372e-19, 7.08958354015098e-19, 7.112222295989399e-19, 7.125408209687219e-19, 7.1296860213e-19, 7.12510379612676e-19, 7.1102996840286e-19, 7.08352731247446e-19, 7.04270385184014e-19, 6.9853939936419595e-19, 6.9086176893406805e-19, 6.80886617210784e-19, 6.68192571739602e-19, 6.522637316443739e-19, 6.32476850214474e-19, 6.080660870188499e-19, 5.780845556668079e-19, 5.413610650388939e-19, 4.96420010455194e-19, 4.41398060490366e-19, 3.73906369783116e-19, 2.9086074831299397e-19, 1.8822531313895396e-19, 6.06270047012136e-20, -9.917825843319479e-20, -3.01151528833176e-19, -5.592653889238439e-19, -8.93607608906964e-19, -1.33387613487036e-18] 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: 7.7715611723761e-16 eV ======================================== theta = 0.0 ======================================== Energy: 0.01810199778546593 Energy: 0.15184011650974827 Energy: 0.7682993562654153 Energy: 0.01838873647418922 Energy: 0.15184011650974827 Energy: 0.8473004384759417 Energy: 0.01838873647418922 Energy: 0.8473004384739939 Energy: 0.7682993562660769 Energy: 0.01838873647352769 Energy: 0.01810199778546593 Energy: 0.15184011651103457 Energy: 0.01838873647352769 Energy: 0.8473004384746554 Energy: 0.15184011650908671 Energy: 0.8473004384772281 minimum gb energy = 0.01810199778546593 eV minimum distance = 2.47432694754658 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.5418764731114831 Energy: 1.1388269130929822 Energy: 1.1406422208250937 Energy: 1.0531208426893057 Energy: 1.0638807416465645 Energy: 1.1679621463235597 Energy: 1.0633233770045303 Energy: 1.1679621463235597 Energy: 1.1416976751919727 Energy: 1.1390885073902113 Energy: 1.06380658052702 Energy: 1.139088507399839 Energy: 1.067593289394138 Energy: 1.0625013182808736 Energy: 1.0634990988441464 Energy: 1.0625013182792689 Energy: 1.11243919405916 Energy: 1.0645634964098887 Energy: 1.0680171287691662 Energy: 1.0645634964098887 Energy: 1.1121844606414761 Energy: 1.1900758312970963 Energy: 1.065267582740127 Energy: 1.1900758312978985 Energy: 1.1130375946145836 Energy: 1.13505687175353 Energy: 1.1107473611023557 Energy: 1.1350568717519256 Energy: 1.1140162604191066 Energy: 1.112597797756821 Energy: 1.1556868271531935 Energy: 1.1125977977544141 Energy: 1.1316637399249811 Energy: 1.2029279610570764 Energy: 1.1313559892376484 Energy: 1.2029279610578787 Energy: 1.1779963825648663 Energy: 1.1849610451145216 Energy: 1.132455251476029 Energy: 1.1849610451121146 Energy: 1.1274728286067786 Energy: 1.201962443698108 Energy: 1.1325201349270189 Energy: 1.2019624436973058 Energy: 1.1136653097568718 Energy: 1.2024435397372624 Energy: 1.1860389998657452 Energy: 1.2024435397356577 Energy: 1.125467500863028 Energy: 1.1348889939289204 Energy: 1.0762278506650336 Energy: 1.1348889939305251 Energy: 1.113278839216824 Energy: 1.1375499619384162 Energy: 1.131288985002279 Energy: 1.137549961937614 Energy: 1.0765987805497363 Energy: 1.063334075740723 Energy: 1.0637802046937133 Energy: 1.0633340757343046 Energy: 1.090817858492347 Energy: 1.063449661106498 Energy: 1.0633646854274446 Energy: 1.0634496611056956 Energy: 1.1379713833182257 Energy: 1.1370688897407382 Energy: 1.0465981622075473 Energy: 1.1370688897423429 Energy: 1.064827215254099 Energy: 1.0639208503277964 Energy: 1.0775212417995395 Energy: 1.0639208503285986 Energy: 1.0620330715299307 Energy: 1.1404273009177381 Energy: 1.1392315374039386 Energy: 1.1404273009137267 Energy: 1.1104276969514373 Energy: 1.063682025357522 Energy: 1.067049172557371 Energy: 1.0636820253607313 Energy: 1.0642699277711325 Energy: 1.064714581119921 Energy: 1.1118714138796788 Energy: 1.064714581122328 Energy: 1.0645025613416976 Energy: 1.063570401948077 Energy: 1.1131455195355449 Energy: 1.0635704019472747 Energy: 1.1103216958234212 Energy: 1.1340459588892862 Energy: 1.1101885888178642 Energy: 1.134045958888484 Energy: 1.1570740905699872 Energy: 1.1423278779654606 Energy: 1.1129970043945197 Energy: 1.1423278779670654 Energy: 1.1330688932350859 Energy: 1.2010811311025338 Energy: 1.249645719362428 Energy: 1.2010811311025338 Energy: 1.134473163143747 Energy: 1.2008594814058267 Energy: 1.1806262380853865 Energy: 1.2008594814066291 Energy: 1.2513912907524785 Energy: 1.2014232764763058 Energy: 1.1277832683891558 Energy: 1.201423276480317 Energy: 1.1832002613688313 Energy: 1.2027064407270218 Energy: 1.1138078741140742 Energy: 1.202706440727824 Energy: 1.0773296193552777 Energy: 1.1425673309529296 Energy: 1.125626887364047 Energy: 1.142567330951325 Energy: 1.077967650151623 Energy: 1.1353420344419152 Energy: 1.1134113562611525 Energy: 1.135342034441113 Energy: 1.0628818537895082 Energy: 1.063228162015651 Energy: 1.0767238173448601 Energy: 1.0632281620148485 Energy: 1.0632703556620124 Energy: 1.063983894993361 Energy: 1.089885138575613 Energy: 1.063983894995768 Energy: 1.0466118078296158 Energy: 1.136698695510475 Energy: 1.137206678573512 Energy: 1.136698695508068 minimum gb energy = 1.0465981622075473 eV minimum distance = 2.25545969910983 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 1.753827564338289 Energy: 1.1927206558425922 Energy: 1.195170211631943 Energy: 1.092575817912633 Energy: 1.108575486587756 Energy: 1.2166793566325402 Energy: 1.1084922689656782 Energy: 1.21667935663437 Energy: 1.1911768169451837 Energy: 1.1934072566153375 Energy: 1.1075592330257213 Energy: 1.1934072566162524 Energy: 1.1140484727714624 Energy: 1.108096717770045 Energy: 1.108478051848345 Energy: 1.1080967177691299 Energy: 1.1075703258610197 Energy: 1.1091265763772857 Energy: 1.1087387251453895 Energy: 1.10912657638003 Energy: 1.1664906272367754 Energy: 1.2423495204051607 Energy: 1.1082487481393657 Energy: 1.2423495204106492 Energy: 1.1677772177620205 Energy: 1.203058859625885 Energy: 1.163267748908656 Energy: 1.2030588596176526 Energy: 1.1676220877229677 Energy: 1.2021605384469234 Energy: 1.2430994586624557 Energy: 1.2021605384533265 Energy: 1.1641687435849453 Energy: 1.2603978770084392 Energy: 1.1734870171187608 Energy: 1.2603978770120983 Energy: 1.2445121328587139 Energy: 1.2536452924819474 Energy: 1.1694336851072662 Energy: 1.2536452924782886 Energy: 1.129704042755789 Energy: 1.2027421288109963 Energy: 1.1929297054077574 Energy: 1.2027421288146554 Energy: 1.129529689414939 Energy: 1.2041560483010547 Energy: 1.167449979119246 Energy: 1.2041560482992253 Energy: 1.109852640962746 Energy: 1.1091518945772885 Energy: 1.130128660592259 Energy: 1.1091518945727146 Energy: 1.1082091035228094 Energy: 1.1090170881321768 Energy: 1.086823495999578 Energy: 1.109017088131262 Energy: 1.0851306799555398 Energy: 1.1907043498490861 Energy: 1.1918725566962851 Energy: 1.1907043498518304 Energy: 1.12909618847266 Energy: 1.1089920571678598 Energy: 1.1085668746581046 Energy: 1.108992057163286 Energy: 1.1933447971698443 Energy: 1.1950941615412018 Energy: 1.106937404440124 Energy: 1.1950941615466906 Energy: 1.1139168422361718 Energy: 1.1082038173973159 Energy: 1.1648396590057837 Energy: 1.1082038173991453 Energy: 1.1080217603310567 Energy: 1.1104274050004717 Energy: 1.1103268035504952 Energy: 1.1104274050087046 Energy: 1.1664903611014898 Energy: 1.1089460740445611 Energy: 1.1082346794351354 Energy: 1.1089460740491348 Energy: 1.1644367916765233 Energy: 1.2087033616431813 Energy: 1.164142455330466 Energy: 1.2087033616413516 Energy: 1.1650783078181135 Energy: 1.2088309820386958 Energy: 1.2447039200577987 Energy: 1.2088309820414398 Energy: 1.1648367135937607 Energy: 1.262442369911308 Energy: 1.1746199954829641 Energy: 1.262442369914967 Energy: 1.2443085130866973 Energy: 1.2631651174044685 Energy: 1.165087608391745 Energy: 1.2631651174090424 Energy: 1.1281782797417055 Energy: 1.2035958205105826 Energy: 1.1935720914260217 Energy: 1.2035958205041795 Energy: 1.1286606862162196 Energy: 1.2044826551685464 Energy: 1.1660194227769476 Energy: 1.20448265517312 Energy: 1.108739468448148 Energy: 1.109144127370682 Energy: 1.1287893997965799 Energy: 1.1091441273715967 Energy: 1.1079042467647762 Energy: 1.1087826741010474 Energy: 1.0863622253698986 Energy: 1.1087826740973885 Energy: 1.0848122157245874 Energy: 1.1899567370886366 Energy: 1.190730988343113 Energy: 1.1899567370858923 minimum gb energy = 1.0848122157245874 eV minimum distance = 2.25237336725122 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 1.6740186351660666 Energy: 1.2514338605089421 Energy: 1.2517381126695162 Energy: 1.1330229091032007 Energy: 1.1582933033073657 Energy: 1.2654635157448948 Energy: 1.158068835468811 Energy: 1.2654635157438314 Energy: 1.2505057569573 Energy: 1.2493281839470152 Energy: 1.1568535852566089 Energy: 1.249328183949142 Energy: 1.1656249224071888 Energy: 1.2662020185662843 Energy: 1.1581829338549785 Energy: 1.2662020185641578 Energy: 1.156010250187704 Energy: 1.1581121811559927 Energy: 1.159984570428429 Energy: 1.1581121811570558 Energy: 1.2697141112738672 Energy: 1.158277224486739 Energy: 1.1585119282332361 Energy: 1.1582772244856758 Energy: 1.2239357607487706 Energy: 1.284146601906965 Energy: 1.21844620578432 Energy: 1.284146601910155 Energy: 1.2195413977395877 Energy: 1.2884677255565784 Energy: 1.317797269609634 Energy: 1.2884677255565784 Energy: 1.2232596581528503 Energy: 1.283625861187415 Energy: 1.190056251345567 Energy: 1.283625861187415 Energy: 1.2701882147022459 Energy: 1.283684597575817 Energy: 1.1584847276846362 Energy: 1.2836845975779436 Energy: 1.1232446385523187 Energy: 1.158196139581487 Energy: 1.1574980794940177 Energy: 1.158196139580424 Energy: 1.1241948756447766 Energy: 1.1582722688481595 Energy: 1.158138644743571 Energy: 1.158272268847096 Energy: 1.2471819092754837 Energy: 1.2479003142338405 Energy: 1.1227477761145628 Energy: 1.2479003142349039 Energy: 1.1578454736984083 Energy: 1.1669403092598638 Energy: 1.189867088772027 Energy: 1.1669403092609274 Energy: 1.1577215226414619 Energy: 1.2540906527979654 Energy: 1.2536573646150446 Energy: 1.254090652794775 Energy: 1.2652405435891727 Energy: 1.1589276892704157 Energy: 1.1658468636400623 Energy: 1.1589276892725424 Energy: 1.1578444622289625 Energy: 1.1594229569877992 Energy: 1.1566995885149605 Energy: 1.1594229569888626 Energy: 1.1584471735951536 Energy: 1.1584159850739002 Energy: 1.2686426795944967 Energy: 1.1584159850770903 Energy: 1.2171052663772435 Energy: 1.2880740279710838 Energy: 1.2248060106273146 Energy: 1.2880740279700205 Energy: 1.319206701372372 Energy: 1.288006107274167 Energy: 1.2213548595152213 Energy: 1.288006107274167 Energy: 1.1918614819455107 Energy: 1.2832044492484709 Energy: 1.2239173005761346 Energy: 1.2832044492474073 Energy: 1.1907827040824963 Energy: 1.2841171906581528 Energy: 1.2229929382666884 Energy: 1.2841171906602795 Energy: 1.1566927134286034 Energy: 1.1584202199097886 Energy: 1.1241246664471354 Energy: 1.1584202199097886 Energy: 1.158208460525436 Energy: 1.1585553317892971 Energy: 1.1244653165151888 Energy: 1.1585553317871702 Energy: 1.1224219111066867 Energy: 1.2469922499503545 Energy: 1.2479613959416624 Energy: 1.2469922499471644 minimum gb energy = 1.1224219111066867 eV minimum distance = 2.25172011580034 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.5563581659530719 Energy: 1.3115993724936585 Energy: 1.3132024585359192 Energy: 1.1705986480855246 Energy: 1.2162749024003843 Energy: 1.3110545050894027 Energy: 1.21682631783752 Energy: 1.3110545050881341 Energy: 1.3121732373962156 Energy: 1.30824811121109 Energy: 1.30338052960453 Energy: 1.3082481112098212 Energy: 1.213851411379896 Energy: 1.3112614348790406 Energy: 1.2163583992236038 Energy: 1.311261434877772 Energy: 1.2152609423665497 Energy: 1.2163135360089752 Energy: 1.2181047661192355 Energy: 1.216313536010244 Energy: 1.216675158863667 Energy: 1.2184078077575566 Energy: 1.2188433202400302 Energy: 1.2184078077524827 Energy: 1.2692236884112205 Energy: 1.3579262459185653 Energy: 1.216845392591873 Energy: 1.357926245919834 Energy: 1.2190873507792463 Energy: 1.3636059266999767 Energy: 1.216077252527683 Energy: 1.3636059267025136 Energy: 1.215040738048114 Energy: 1.21625889711468 Energy: 1.1560495451028046 Energy: 1.2162588971159483 Energy: 1.2165473177834951 Energy: 1.2162998026343579 Energy: 1.15558933654615 Energy: 1.2162998026330896 Energy: 1.1534280970220143 Energy: 1.306482641029263 Energy: 1.3069270686562517 Energy: 1.306482641029263 Energy: 1.264528552893741 Energy: 1.2205685185960606 Energy: 1.2163154273968861 Energy: 1.2205685185960606 Energy: 1.3178383615741498 Energy: 1.3073876642065 Energy: 1.3160110816656105 Energy: 1.3073876642052316 Energy: 1.3060861057387265 Energy: 1.310165511909348 Energy: 1.2053417880950017 Energy: 1.3101655119043027 Energy: 1.2158416586602572 Energy: 1.21739030354459 Energy: 1.2225944155182484 Energy: 1.21739030354459 Energy: 1.2191994430487498 Energy: 1.2180070021652045 Energy: 1.2222651208084307 Energy: 1.2180070021639362 Energy: 1.2680571953465758 Energy: 1.3610974409565006 Energy: 1.2193963055875536 Energy: 1.3610974409552323 Energy: 1.2668470615941627 Energy: 1.3589447826681837 Energy: 1.2173527603073435 Energy: 1.358944782669452 Energy: 1.2138883561437086 Energy: 1.2160493307087656 Energy: 1.155509192746648 Energy: 1.216049330711303 Energy: 1.2174358064759563 Energy: 1.2169980629008852 Energy: 1.1554938721716084 Energy: 1.216998062898348 Energy: 1.1535289615644897 Energy: 1.306005773825582 Energy: 1.30426576395445 Energy: 1.306005773825582 minimum gb energy = 1.1534280970220143 eV minimum distance = 2.25232519105574 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.3954218334879354 Energy: 1.3719904159098855 Energy: 1.3766098964908104 Energy: 1.1985572299156948 Energy: 1.3819176580662205 Energy: 1.2984233163330299 Energy: 1.3821202509110555 Energy: 1.2984233163345986 Energy: 1.3694486778774586 Energy: 1.3688950319704987 Energy: 1.3759403894692432 Energy: 1.3688950319704987 Energy: 1.3688998119569629 Energy: 1.2989267144347763 Energy: 1.225672146342559 Energy: 1.2989267144426204 Energy: 1.2209791031088864 Energy: 1.299859738350567 Energy: 1.2253815960087215 Energy: 1.2998597383489983 Energy: 1.1879727808982534 Energy: 1.2267094900012427 Energy: 1.2230323896326976 Energy: 1.2267094900012427 Energy: 1.1814962282472397 Energy: 1.2973855436789103 Energy: 1.2261309249821408 Energy: 1.2973855436789103 Energy: 1.1811642008651477 Energy: 1.2995081030496498 Energy: 1.2296079474163955 Energy: 1.2995081030496498 Energy: 1.367546397093893 Energy: 1.3677075224276378 Energy: 1.5510344785169417 Energy: 1.3677075224276378 Energy: 1.3815046030105673 Energy: 1.1888006507082305 Energy: 1.3679502988565009 Energy: 1.1888006507097995 Energy: 1.3722539793999426 Energy: 1.3677820338841058 Energy: 1.381501171247603 Energy: 1.3677820338841058 Energy: 1.3657696411802438 Energy: 1.2998413022119641 Energy: 1.368986045045035 Energy: 1.2998413022119641 Energy: 1.2243607355179418 Energy: 1.3633657467099716 Energy: 1.2198800021103746 Energy: 1.3633657467115403 Energy: 1.2259398092139722 Energy: 1.2984949070191185 Energy: 1.1893955636864946 Energy: 1.2984949070191185 Energy: 1.2903100178801084 Energy: 1.2982130088537063 Energy: 1.1807654634581133 Energy: 1.2982130088521373 Energy: 1.2248007781809118 Energy: 1.224298026354155 Energy: 1.1807921194202704 Energy: 1.224298026361999 Energy: 1.550979836005446 Energy: 1.3679000327360031 Energy: 1.3652097643440069 Energy: 1.3679000327360031 minimum gb energy = 1.1807654634581133 eV minimum distance = 2.25459132151558 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 1.8952761384520234 Energy: 1.5092668199546218 Energy: 1.5104034876176975 Energy: 1.3988490937613576 Energy: 1.302279093439179 Energy: 1.3119471805150413 Energy: 1.5182570505526203 Energy: 1.3119471805132643 Energy: 1.3042402706637473 Energy: 1.3033184146511316 Energy: 1.5028838724753006 Energy: 1.3033184146520198 Energy: 1.303818740625953 Energy: 1.3041573033301257 Energy: 1.3076535624182806 Energy: 1.3041573033283487 Energy: 1.3029154209437128 Energy: 1.408803256634788 Energy: 1.3216767893808115 Energy: 1.4088032566356765 Energy: 1.3110864197176928 Energy: 1.4033668527811924 Energy: 1.3027111962802387 Energy: 1.403366852782081 Energy: 1.378337759943031 Energy: 1.3014155044430082 Energy: 1.3013087036305664 Energy: 1.3014155044412312 Energy: 1.6194193996086104 Energy: 1.3100079937000026 Energy: 1.3025992097509265 Energy: 1.310007993699114 Energy: 1.519030528377619 Energy: 1.5030479671638943 Energy: 1.4988970934944132 Energy: 1.5030479671638943 Energy: 1.5011225393445102 Energy: 1.4058501474157459 Energy: 1.5211866258542766 Energy: 1.4058501474148575 Energy: 1.2990384746180987 Energy: 1.279130043410416 Energy: 1.2479334533191078 Energy: 1.279130043411264 Energy: 1.5087620240456716 Energy: 1.2802016175206166 Energy: 1.2734912606872217 Energy: 1.280201617521505 Energy: 1.3799842104582387 Energy: 1.2815051712525847 Energy: 1.278858208754591 Energy: 1.281505171253473 Energy: 1.380257252781758 Energy: 1.2799434144512172 Energy: 1.2493866394726594 Energy: 1.2799434144521056 Energy: 1.5009912464032276 Energy: 1.5013665653844348 Energy: 1.6174263153461066 Energy: 1.5013665653844348 Energy: 1.5236251223292887 Energy: 1.5004230956811975 Energy: 1.6172220270196958 Energy: 1.500423095682086 Energy: 1.5009192040733035 Energy: 1.3020514820800737 Energy: 1.3027702390292146 Energy: 1.3020514820809623 Energy: 1.5014855882325386 Energy: 1.3023609664398585 Energy: 1.2983131118208209 Energy: 1.3023609664434126 Energy: 1.3016601781010588 Energy: 1.409440721748147 Energy: 1.3041308834479886 Energy: 1.409440721748147 Energy: 1.3339018970920185 Energy: 1.4087038047994713 Energy: 1.3019035339324376 Energy: 1.4087038048012483 Energy: 1.3019077764420905 Energy: 1.3107278345710007 Energy: 1.6322434369841867 Energy: 1.3107278345710007 Energy: 1.3039951227618083 Energy: 1.3049001159027707 Energy: 1.379297002933537 Energy: 1.3049001159027707 Energy: 1.4232545310301228 Energy: 1.4032953395056158 Energy: 1.5172788973493643 Energy: 1.4032953395038388 Energy: 1.4989622562811975 Energy: 1.5035686859867587 Energy: 1.504467983877807 Energy: 1.503568685984982 Energy: 1.2753390571239427 Energy: 1.281157799735167 Energy: 1.5037773618571229 Energy: 1.2811577997316133 Energy: 1.2738416896769589 Energy: 1.2816089341600503 Energy: 1.3022125705018532 Energy: 1.2816089341627155 Energy: 1.247722931450557 Energy: 1.2544033868459286 Energy: 1.3977022807195758 Energy: 1.2544033868459286 Energy: 1.2732340676832572 Energy: 1.2807438755178573 Energy: 1.3814293358776564 Energy: 1.2807438755187455 Energy: 1.2765155548905844 Energy: 1.2851352908258369 Energy: 1.3800891090366998 Energy: 1.2851352908249483 Energy: 1.6204044637756505 Energy: 1.5045185077116705 Energy: 1.5042864038955823 Energy: 1.5045185077116705 minimum gb energy = 1.247722931450557 eV minimum distance = 2.23755418265838 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.7204157989156574 Energy: 1.405907163162337 Energy: 1.407792908549043 Energy: 1.1768017007718607 Energy: 1.3832491877363284 Energy: 1.2542199811133006 Energy: 1.3851108164014398 Energy: 1.2542199811092096 Energy: 1.3868742045138132 Energy: 1.3869432945523235 Energy: 1.3894504483799146 Energy: 1.3869432945523235 Energy: 1.3842621070908911 Energy: 1.2565687028190689 Energy: 1.382126296047967 Energy: 1.2565687028211143 Energy: 1.4103911097572392 Energy: 1.2550654460693447 Energy: 1.1536552688902544 Energy: 1.2550654460734354 Energy: 1.383674425001883 Energy: 1.2583653599603768 Energy: 1.1541850697402074 Energy: 1.2583653599685587 Energy: 1.5992804055808263 Energy: 1.3832710992743849 Energy: 1.3835207745294824 Energy: 1.3832710992723394 Energy: 1.6012388187905893 Energy: 1.3816566513455308 Energy: 1.380332785464625 Energy: 1.3816566513455308 Energy: 1.3843175234508382 Energy: 1.3855510032009721 Energy: 1.3916248885287639 Energy: 1.3855510031968812 Energy: 1.3817107761254819 Energy: 1.257478219281728 Energy: 1.3845156139276338 Energy: 1.257478219281728 Energy: 1.4093592619164335 Energy: 1.259850634509366 Energy: 1.177007475967595 Energy: 1.259850634509366 Energy: 1.3836066763564887 Energy: 1.2544642820265794 Energy: 1.1523518720128358 Energy: 1.254464282024534 Energy: 1.6022589243026013 Energy: 1.381960930228581 Energy: 1.3797188669201774 Energy: 1.381960930228581 minimum gb energy = 1.1523518720128358 eV minimum distance = 2.260398679494 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.6824155996586094 Energy: 1.5751924026883586 Energy: 1.5749928419765074 Energy: 1.435117207577633 Energy: 1.2704560544245467 Energy: 1.2693345470195936 Energy: 1.5534732209449809 Energy: 1.2693345470218649 Energy: 1.2719212684672494 Energy: 1.2725592423404004 Energy: 1.5616403005231243 Energy: 1.2725592423426717 Energy: 1.273426709940927 Energy: 1.2714606877575545 Energy: 1.6420221507639958 Energy: 1.2714606877605825 Energy: 1.2721116860115678 Energy: 1.2688602859219098 Energy: 1.6300978911930857 Energy: 1.2688602859196385 Energy: 1.2695809159248252 Energy: 1.2695015690400777 Energy: 1.631951144910725 Energy: 1.2695015690385636 Energy: 1.5486942457061605 Energy: 1.5297763125101274 Energy: 1.5481163338013086 Energy: 1.529776312508613 Energy: 1.5460111883104697 Energy: 1.5301268744259848 Energy: 1.5298126126814187 Energy: 1.5301268744259848 Energy: 1.3491976915716861 Energy: 1.4375897770928021 Energy: 1.3561238266836328 Energy: 1.4375897770928021 Energy: 1.2600926877271297 Energy: 1.3617691374434864 Energy: 1.5262464779789597 Energy: 1.361769137440458 Energy: 1.347910195519263 Energy: 1.3490627217994442 Energy: 1.4498026813682316 Energy: 1.3490627218017155 Energy: 1.354765083546272 Energy: 1.4327898911316346 Energy: 1.6260879079267414 Energy: 1.432789891134594 Energy: 1.5454035290534203 Energy: 1.3494344316070734 Energy: 1.360935279666834 Energy: 1.349434431601774 Energy: 1.6329944680173984 Energy: 1.3484041679195555 Energy: 1.351235647286858 Energy: 1.3484041679240975 Energy: 1.529755095038879 Energy: 1.3662530324364879 Energy: 1.3529094063260934 Energy: 1.3662530324372446 Energy: 1.4507373991418575 Energy: 1.365413810469075 Energy: 1.3539062274865665 Energy: 1.3654138104675608 Energy: 1.5311619028611183 Energy: 1.2745072882102197 Energy: 1.3515385352647402 Energy: 1.2745072882102197 Energy: 1.5289337742299014 Energy: 1.5273494399504317 Energy: 1.6779467936123866 Energy: 1.5273494399481606 Energy: 1.5534968833703342 Energy: 1.2699366037263682 Energy: 1.2637787561860638 Energy: 1.2699366037271251 Energy: 1.565665248841655 Energy: 1.2733128010566712 Energy: 1.273141846791296 Energy: 1.2733128010574284 Energy: 1.6442998003000335 Energy: 1.270644856626842 Energy: 1.2697597419558309 Energy: 1.2706448566260853 Energy: 1.6307981333057955 Energy: 1.2683280947978082 Energy: 1.2692835800620783 Energy: 1.268328094791752 Energy: 1.6296933442677004 Energy: 1.2700430791917272 Energy: 1.2698344033259927 Energy: 1.270043079190213 Energy: 1.5510165764615609 Energy: 1.5285973604609717 Energy: 1.5484252242766507 Energy: 1.5285973604602148 Energy: 1.5304419081962837 Energy: 1.5276594222387516 Energy: 1.547385271381594 Energy: 1.5276594222395088 Energy: 1.3579088177564824 Energy: 1.5177511004295754 Energy: 1.3490962557207118 Energy: 1.5177511004318467 Energy: 1.5252596182329856 Energy: 1.3625985033914596 Energy: 1.2593638701994894 Energy: 1.3625985033876744 Energy: 1.4499481322739662 Energy: 1.3490095163079465 Energy: 1.3491600866270967 Energy: 1.3490095163071893 Energy: 1.6260891342153934 Energy: 1.3534132920339639 Energy: 1.3571941798643017 Energy: 1.3534132920392634 Energy: 1.3609582962213385 Energy: 1.3526199967702455 Energy: 1.5433723278879214 Energy: 1.352619996769488 Energy: 1.353822740036735 Energy: 1.3486128527584558 Energy: 1.5437471440368966 Energy: 1.3486128527539136 Energy: 1.351472212454385 Energy: 1.3474144387993188 Energy: 1.529595627509927 Energy: 1.3474144388031042 Energy: 1.3641406884713978 Energy: 1.3653732495770647 Energy: 1.450307749568918 Energy: 1.3653732495785786 Energy: 1.3503978197630828 Energy: 1.2733790397653078 Energy: 1.4220320924872518 Energy: 1.2733790397668223 Energy: 1.6234712621438157 Energy: 1.5255177527875938 Energy: 1.5322560536572685 Energy: 1.5255177527875938 minimum gb energy = 1.2593638701994894 eV minimum distance = 2.20865428536333 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.8066877159244301 Energy: 1.4628609209640486 Energy: 1.4641953436075164 Energy: 1.3855474934914902 Energy: 1.3039060998330494 Energy: 1.3043481496957072 Energy: 1.456595507892933 Energy: 1.3043481496957072 Energy: 1.3036023904553615 Energy: 1.3039585152726034 Energy: 1.514956809979299 Energy: 1.3039585152714022 Energy: 1.303885938853935 Energy: 1.3052865025279994 Energy: 1.620675910227066 Energy: 1.3052865025292004 Energy: 1.3051517896890994 Energy: 1.3047372101568788 Energy: 1.6117428996763543 Energy: 1.3047372101592813 Energy: 1.4014751289867313 Energy: 1.303612446391538 Energy: 1.5354156973330353 Energy: 1.3036124463891359 Energy: 1.3723396877428178 Energy: 1.496987089445591 Energy: 1.5220392771906421 Energy: 1.4969870894491941 Energy: 1.3716021518629509 Energy: 1.4989139542836414 Energy: 1.5069345441801572 Energy: 1.4989139542836414 Energy: 1.3810937838872042 Energy: 1.4574571300465888 Energy: 1.4995553380574003 Energy: 1.4574571300441863 Energy: 1.3485225856953682 Energy: 1.3168743514112111 Energy: 1.4967128015269697 Energy: 1.3168743514100103 Energy: 1.382266298576363 Energy: 1.2849693078201023 Energy: 1.4297506609255957 Energy: 1.2849693078213036 Energy: 1.3490694493791298 Energy: 1.2879414906996465 Energy: 1.57642845990306 Energy: 1.2879414906996465 Energy: 1.5074984111258989 Energy: 1.3998049829557635 Energy: 1.3378900855794291 Energy: 1.3998049829569645 Energy: 1.5097875058732728 Energy: 1.286927420781258 Energy: 1.365367807219328 Energy: 1.286927420782459 Energy: 1.5341274358438401 Energy: 1.435761655069822 Energy: 1.3416752316478222 Energy: 1.435761655072224 Energy: 1.5901147185571682 Energy: 1.338845878965819 Energy: 1.3389133129089537 Energy: 1.3388458789670206 Energy: 1.5365355603412896 Energy: 1.4359330089025213 Energy: 1.3626670035089987 Energy: 1.4359330089025213 Energy: 1.4518108823022695 Energy: 1.4509548527901897 Energy: 1.4349383099359652 Energy: 1.4509548527913907 Energy: 1.462848805709957 Energy: 1.4121283413848993 Energy: 1.3719428889956642 Energy: 1.4121283413848993 Energy: 1.45582419739487 Energy: 1.4037692847780252 Energy: 1.4673438608432858 Energy: 1.4037692847780252 Energy: 1.4633136584277877 Energy: 1.4034797489458704 Energy: 1.3523547142735857 Energy: 1.4034797489458704 Energy: 1.6099364811802148 Energy: 1.461388866979813 Energy: 1.4630942387080808 Energy: 1.461388866981014 minimum gb energy = 1.2849693078201023 eV minimum distance = 2.21904708969867 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 2.12366840239337 Energy: 1.4565647368810855 Energy: 1.458872294574527 Energy: 1.3047496371985894 Energy: 1.319164731867568 Energy: 1.299471056735365 Energy: 1.601408746709364 Energy: 1.2994710567370638 Energy: 1.331613190359919 Energy: 1.2992392945563835 Energy: 1.41979842684109 Energy: 1.2992392945580824 Energy: 1.2991946964222836 Energy: 1.298425287516361 Energy: 1.5960400863493374 Energy: 1.2984252875189093 Energy: 1.3200838305443172 Energy: 1.3164595089325264 Energy: 1.5379182353502936 Energy: 1.3164595089342248 Energy: 1.2972531257819346 Energy: 1.3164615791126484 Energy: 1.539109981392956 Energy: 1.3164615791126484 Energy: 1.539499778674287 Energy: 1.3195927100089515 Energy: 1.297525334609285 Energy: 1.3195927100191431 Energy: 1.5988761297849665 Energy: 1.3166793197997027 Energy: 1.3154768837247774 Energy: 1.3166793198031002 Energy: 1.5461335460314691 Energy: 1.2954987676233456 Energy: 1.2961973104854136 Energy: 1.295498767624195 Energy: 1.539357696151313 Energy: 1.3232757975046345 Energy: 1.3169012693487632 Energy: 1.3232757975046345 Energy: 1.598488391675517 Energy: 1.4496478492990632 Energy: 1.413423753311966 Energy: 1.4496478492922686 Energy: 1.4499663275769086 Energy: 1.4493661967189537 Energy: 1.5364448135791184 Energy: 1.4493661967189537 Energy: 1.4463663080255955 Energy: 1.3885983117430503 Energy: 1.4591986609819536 Energy: 1.3885983117405023 Energy: 1.4248192597870042 Energy: 1.386416971140588 Energy: 1.3060251519461255 Energy: 1.3864169711397385 Energy: 1.4594337779438091 Energy: 1.388424126090574 Energy: 1.345972722007321 Energy: 1.3884241260897245 Energy: 1.5351889241415735 Energy: 1.450045883521366 Energy: 1.4495838106450583 Energy: 1.4500458835154209 Energy: 1.6156966554961805 Energy: 1.4533121125308763 Energy: 1.6092854398382028 Energy: 1.4533121125308763 Energy: 1.3174596714845836 Energy: 1.3253596868492274 Energy: 1.4184517301088402 Energy: 1.325359686839885 Energy: 1.2914203197192844 Energy: 1.2961263902964328 Energy: 1.547337119440119 Energy: 1.2961263902887887 Energy: 1.3159209418608928 Energy: 1.3165109868909808 Energy: 1.5330855787744673 Energy: 1.3165109868960765 Energy: 1.298350294597874 Energy: 1.3192043258910844 Energy: 1.5370613971080833 Energy: 1.3192043258995776 Energy: 1.599715918989436 Energy: 1.316795283655013 Energy: 1.2995121123523898 Energy: 1.3167952836507666 Energy: 1.5379130376265844 Energy: 1.317250795369609 Energy: 1.3159054993238646 Energy: 1.3172507953679107 Energy: 1.5954397120320758 Energy: 1.298208178589726 Energy: 1.2989363749442566 Energy: 1.2982081785880275 Energy: 1.5409124443193947 Energy: 1.2991930877635087 Energy: 1.3146940433682586 Energy: 1.2991930877737008 Energy: 1.554613594831971 Energy: 1.2979662633009814 Energy: 1.3185599076341328 Energy: 1.2979662633018307 Energy: 1.439077306575209 Energy: 1.4420950086115927 Energy: 1.8289923396595997 Energy: 1.442095008609045 Energy: 1.4502224923421518 Energy: 1.4083716626855167 Energy: 1.3192624625555114 Energy: 1.4083716626872154 Energy: 1.4236799698329843 Energy: 1.3903527546641492 Energy: 1.4358473399215428 Energy: 1.3903527546743415 Energy: 1.4559245900452384 Energy: 1.390123743429629 Energy: 1.3053775763245252 Energy: 1.390123743433026 Energy: 1.5296271218968351 Energy: 1.4486577447802655 Energy: 1.448561019439884 Energy: 1.4486577447828137 minimum gb energy = 1.2914203197192844 eV minimum distance = 2.19295629338085 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.2033039820629825 Energy: 1.3273552131100625 Energy: 1.2579749396394566 Energy: 1.207334994009974 Energy: 1.2590551530723113 Energy: 1.3903554114751355 Energy: 1.2625399989837007 Energy: 1.3903554114745766 Energy: 1.2535356851576687 Energy: 1.3240248134207528 Energy: 1.2138575813399424 Energy: 1.3240248134224952 Energy: 1.2112673304713881 Energy: 1.2362667831575744 Energy: 1.251368927382079 Energy: 1.2362667831595795 Energy: 1.2498154172551779 Energy: 1.2421485513953587 Energy: 1.2103803483348559 Energy: 1.2421485513927617 Energy: 1.2470160840177444 Energy: 1.3332786820324487 Energy: 1.2122741291766421 Energy: 1.3332786820347498 Energy: 1.2142639752950368 Energy: 1.325424101257272 Energy: 1.2543054645486182 Energy: 1.325424101259869 Energy: 1.261305346049567 Energy: 1.264364073391468 Energy: 1.210805319114909 Energy: 1.2643640733900219 Energy: 1.2107726735781932 Energy: 1.253017830311136 Energy: 1.2763990183788303 Energy: 1.2530178303142918 minimum gb energy = 1.2033039820629825 eV minimum distance = 2.24167718094679 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 1.692092815428648 Energy: 1.226775114093201 Energy: 1.4627431148061045 Energy: 1.1955223196796805 Energy: 1.4002018205262048 Energy: 1.2260378413804793 Energy: 1.4503115226010266 Energy: 1.2260378413844908 Energy: 1.44994702865724 Energy: 1.333988855297668 Energy: 1.4496507339879827 Energy: 1.33398885529847 Energy: 1.2485634548307494 Energy: 1.3343517704386485 Energy: 1.3984739849433372 Energy: 1.3343517704362422 Energy: 1.396488105205044 Energy: 1.2216633384646014 Energy: 1.4457941911390588 Energy: 1.2216633384613924 Energy: 1.2238488652813821 Energy: 1.2249332721494686 Energy: 1.4470396035199942 Energy: 1.2249332721462594 Energy: 1.222181523623686 Energy: 1.221655879839631 Energy: 1.4001944537781204 Energy: 1.221655879841965 Energy: 1.2262041307661065 Energy: 1.227595646621032 Energy: 1.637876380208453 Energy: 1.227595646621032 Energy: 1.4061286449835622 Energy: 1.2819073721262533 Energy: 1.6286088928617248 Energy: 1.2819073721270557 Energy: 1.466380794787271 Energy: 1.2013768605839368 Energy: 1.2045190675229556 Energy: 1.2013768605815298 Energy: 1.2488974967691564 Energy: 1.1994762595166288 Energy: 1.2009361337699453 Energy: 1.1994762595182336 Energy: 1.6366096497178757 Energy: 1.1973775934311621 Energy: 1.196341396975678 Energy: 1.1973775934287552 Energy: 1.643867352081345 Energy: 1.1985814615704893 Energy: 1.4299899749150724 Energy: 1.1985814615712915 Energy: 1.2479878444840313 Energy: 1.278055931360418 Energy: 1.4458662556420863 Energy: 1.278055931360418 Energy: 1.2227017985290465 Energy: 1.2226405195509646 Energy: 1.447901985761905 Energy: 1.2226405195517673 Energy: 1.2308556439102563 Energy: 1.2243422245136883 Energy: 1.3972834389598874 Energy: 1.2243422245152926 Energy: 1.222186066923759 Energy: 1.2228930008291006 Energy: 1.2435175809272163 Energy: 1.2228930008266936 Energy: 1.455457721383189 Energy: 1.228204977153686 Energy: 1.3372352281574982 Energy: 1.228204977156093 Energy: 1.4531550785219676 Energy: 1.3369784067312283 Energy: 1.4521400765056693 Energy: 1.3369784067312283 Energy: 1.4867293880526555 Energy: 1.2220003608266363 Energy: 1.2438081842476691 Energy: 1.222000360825834 Energy: 1.447247540938581 Energy: 1.2404848022940147 Energy: 1.4003848324039745 Energy: 1.240484802294817 Energy: 1.4454161667255128 Energy: 1.2210460634111187 Energy: 1.2209575424509078 Energy: 1.2210460634135254 Energy: 1.3973774104318748 Energy: 1.2225754602644556 Energy: 1.2212676334115478 Energy: 1.2225754602620489 Energy: 1.6469881273880858 Energy: 1.2267234341871012 Energy: 1.225510534531792 Energy: 1.2267234341846942 Energy: 1.6391961121519405 Energy: 1.2781367469843263 Energy: 1.4023170193305963 Energy: 1.2781367469851286 Energy: 1.2000730505845891 Energy: 1.2023793526700044 Energy: 1.4662672140358237 Energy: 1.2023793526700044 Energy: 1.201459602425752 Energy: 1.2022355586958278 Energy: 1.4060889628789466 Energy: 1.2022355586958278 Energy: 1.198651699329101 Energy: 1.202438636050712 Energy: 1.2447245897987256 Energy: 1.2024386360483053 Energy: 1.1975034993252065 Energy: 1.2000387596300592 Energy: 1.6339913975244575 Energy: 1.200038759632466 Energy: 1.4468913323429637 Energy: 1.2764323013524923 Energy: 1.2475601541076848 Energy: 1.2764323013540968 Energy: 1.4462338662687124 Energy: 1.224348573350113 Energy: 1.226451826947893 Energy: 1.2243485733469037 Energy: 1.3958133793629528 Energy: 1.2245225530767778 Energy: 1.2262602354895855 Energy: 1.22452255307758 Energy: 1.2464285990903483 Energy: 1.2217642096784755 Energy: 1.2201024075522628 Energy: 1.2217642096808825 minimum gb energy = 1.1955223196796805 eV minimum distance = 2.20375929537378 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 1.8113888277488333 Energy: 1.1710249719543937 Energy: 1.4283231982091629 Energy: 1.1398608084785486 Energy: 1.1754998102672385 Energy: 1.1749880791530862 Energy: 1.4393344693218473 Energy: 1.1749880791519767 Energy: 1.4375596176359156 Energy: 1.3110981765745473 Energy: 1.4424623882221133 Energy: 1.3110981765690009 Energy: 1.1919977720557462 Energy: 1.3122895087745723 Energy: 1.417073618871446 Energy: 1.3122895087756818 Energy: 1.1704071241313723 Energy: 1.168753490669689 Energy: 1.431360834375913 Energy: 1.1687534906674704 Energy: 1.1696631683795362 Energy: 1.1734692053199007 Energy: 1.431549142694423 Energy: 1.173469205317682 Energy: 1.1659317374273817 Energy: 1.1677789267089451 Energy: 1.4197334614753205 Energy: 1.1677789267111636 Energy: 1.1743605896406453 Energy: 1.17709572128091 Energy: 1.6301606111564733 Energy: 1.17709572128091 Energy: 1.4694095662662687 Energy: 1.256517439942677 Energy: 1.630872182556323 Energy: 1.256517439942677 Energy: 1.4997987787102398 Energy: 1.182214497634227 Energy: 1.1771856755310004 Energy: 1.1822144976386644 Energy: 1.4205880445122838 Energy: 1.1678823634200746 Energy: 1.1662555382413253 Energy: 1.1678823634200746 Energy: 1.623004107960155 Energy: 1.1836277709531873 Energy: 1.170494666383774 Energy: 1.1836277709509684 Energy: 1.6222620161841075 Energy: 1.1693355123971625 Energy: 1.1684040446830297 Energy: 1.1693355123960534 Energy: 1.416695374905003 Energy: 1.3111211505002436 Energy: 1.4412984708520769 Energy: 1.311121150501353 Energy: 1.1915928405012877 Energy: 1.309659699853203 Energy: 1.4379522076233815 Energy: 1.3096596998487662 Energy: 1.1914247575929462 Energy: 1.1723607814943944 Energy: 1.4197962606571486 Energy: 1.1723607814910666 Energy: 1.1714183982451596 Energy: 1.1719926321499932 Energy: 1.4603402785431647 Energy: 1.1719926321499932 Energy: 1.1847688655591946 Energy: 1.1802545917474947 Energy: 1.4582142809185954 Energy: 1.1802545917430574 Energy: 1.1664124271517384 Energy: 1.1698089888801162 Energy: 1.630970615356823 Energy: 1.1698089888812255 Energy: 1.173459052046294 Energy: 1.1832416541295807 Energy: 1.631079074736256 Energy: 1.1832416541351272 Energy: 1.4596697866115103 Energy: 1.247107437008409 Energy: 1.4187505674779333 Energy: 1.2471074370095185 Energy: 1.4597909572002579 Energy: 1.1723994764766243 Energy: 1.1755340186734402 Energy: 1.1723994764766243 Energy: 1.4185772499536595 Energy: 1.1683694597886558 Energy: 1.1701956279303412 Energy: 1.1683694597908747 Energy: 1.6224016996738593 Energy: 1.169596745851193 Energy: 1.1680076906645271 Energy: 1.169596745851193 minimum gb energy = 1.1398608084785486 eV minimum distance = 2.21733732056959 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 1.941720762656704 Energy: 1.160197569324119 Energy: 1.4284576740175914 Energy: 1.1378076186039867 Energy: 1.169919995013905 Energy: 1.1595279650144317 Energy: 1.3573954231082888 Energy: 1.1595279650178598 Energy: 1.527001015950725 Energy: 1.1549586947366615 Energy: 1.3538908807181536 Energy: 1.1549586947366615 Energy: 1.5280053098271895 Energy: 1.233925639651494 Energy: 1.3114379323044605 Energy: 1.2339256396556078 Energy: 1.2943438326030559 Energy: 1.1384262013181647 Energy: 1.5333962961752343 Energy: 1.1384262013195363 Energy: 1.1389969601792524 Energy: 1.1377894666235906 Energy: 1.4915475988974063 Energy: 1.137789466622905 Energy: 1.139778543575429 Energy: 1.137669168440486 Energy: 1.1750944857261256 Energy: 1.1376691684398001 Energy: 1.1520798656593565 Energy: 1.1419540202420093 Energy: 1.5008848644373158 Energy: 1.1419540202420093 Energy: 1.4897035238148433 Energy: 1.1416980008351447 Energy: 1.4528960552959596 Energy: 1.1416980008324022 Energy: 1.3580279446347998 Energy: 1.2340855988474129 Energy: 1.3261663518286972 Energy: 1.2340855988460417 Energy: 1.4839419578912476 Energy: 1.1555563236147088 Energy: 1.1693802757000151 Energy: 1.1555563236133373 Energy: 1.4861684047904473 Energy: 1.1644276311932178 Energy: 1.3114923205185518 Energy: 1.1644276311945891 Energy: 1.4787690407669591 Energy: 1.155805766691294 Energy: 1.1569536428698302 Energy: 1.1558057666960933 Energy: 1.3422177592462916 Energy: 1.1557450832954168 Energy: 1.1593689260431113 Energy: 1.1557450832961027 Energy: 1.522587575861802 Energy: 1.1590549290158862 Energy: 1.1636502056573745 Energy: 1.1590549290165721 Energy: 1.5031584120842143 Energy: 1.1578201067430647 Energy: 1.346886359066526 Energy: 1.157820106747864 Energy: 1.1573513709017607 Energy: 1.3000686746888828 Energy: 1.5243799632548758 Energy: 1.3000686746888828 Energy: 1.157058380908132 Energy: 1.15626217768445 Energy: 1.4909121617412238 Energy: 1.15626217768445 Energy: 1.1695139306253364 Energy: 1.1590797710191574 Energy: 1.4497518100430358 Energy: 1.1590797710225855 Energy: 1.1576916476208916 Energy: 1.1555145353897136 Energy: 1.5019823244795103 Energy: 1.1555145353903993 Energy: 1.3527233509276406 Energy: 1.157794486992238 Energy: 1.1697849487229126 Energy: 1.1577944869901813 Energy: 1.354278160458677 Energy: 1.155308912178018 Energy: 1.5227879735303733 Energy: 1.1553089121787037 Energy: 1.1756644940232701 Energy: 1.2302269023595802 Energy: 1.525264497922118 Energy: 1.2302269023595802 Energy: 1.536110258005142 Energy: 1.1394883710774615 Energy: 1.2929072461898896 Energy: 1.1394883710767758 Energy: 1.4760627149790997 Energy: 1.1369578824104987 Energy: 1.1368571958271272 Energy: 1.136957882413927 Energy: 1.3317107993840027 Energy: 1.1391451469018556 Energy: 1.1466055375519055 Energy: 1.1391451469018556 Energy: 1.5021783441078476 Energy: 1.1421090003170011 Energy: 1.146385968152175 Energy: 1.1421090002930037 Energy: 1.3148170324680915 Energy: 1.1410498237306042 Energy: 1.49535948892264 Energy: 1.1410498237251194 Energy: 1.32514200792158 Energy: 1.2343484159722375 Energy: 1.3520644141496903 Energy: 1.2343484159729232 Energy: 1.1715250120298593 Energy: 1.1549180963150811 Energy: 1.4806749303503013 Energy: 1.154918096317824 Energy: 1.31136494461625 Energy: 1.1559687256777509 Energy: 1.5215771101077094 Energy: 1.1559687256784366 Energy: 1.155396839967132 Energy: 1.1566423655660223 Energy: 1.5224691514159767 Energy: 1.1566423655660223 Energy: 1.155401806794662 Energy: 1.1542000764600289 Energy: 1.343667799317932 Energy: 1.1542000764620859 Energy: 1.1692123585403795 Energy: 1.1587884393486412 Energy: 1.5265155383652784 Energy: 1.158788439350698 Energy: 1.3470066890970036 Energy: 1.2067216245326111 Energy: 1.503617026224339 Energy: 1.2067216245298686 Energy: 1.7449053324707973 Energy: 1.1620268097022994 Energy: 1.1603515872012247 Energy: 1.162026809696814 Energy: 1.4849956213370556 Energy: 1.155249712285247 Energy: 1.1569309846864984 Energy: 1.1552497122879897 Energy: 1.499340524817796 Energy: 1.1625723981264613 Energy: 1.1568235177193011 Energy: 1.1625723981257758 minimum gb energy = 1.1368571958271272 eV minimum distance = 2.20246904982623 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 2.0684963622185784 Energy: 1.061815669518256 Energy: 1.0629772687833419 Energy: 1.1134692121270653 Energy: 1.0643388136270364 Energy: 1.1814529057586622 Energy: 1.0615548225686993 Energy: 1.1814529057586622 Energy: 1.0481960412980746 Energy: 1.1822792628205332 Energy: 1.0960551868486716 Energy: 1.1822792628187389 Energy: 1.0489598966478024 Energy: 1.1844050298523323 Energy: 1.0606816344835281 Energy: 1.1844050298541264 Energy: 1.0589887267216906 Energy: 1.060545164407976 Energy: 1.0835914130681954 Energy: 1.0605451644097699 Energy: 1.0584951468299588 Energy: 1.0595024197594662 Energy: 1.0830327618761142 Energy: 1.0595024197576723 Energy: 1.0581386888729758 Energy: 1.0571216841219513 Energy: 1.061485228083963 Energy: 1.0571216841237454 Energy: 1.0607457096678425 Energy: 1.0616782629821937 Energy: 1.0475989907900425 Energy: 1.0616782629803998 Energy: 1.063718837645392 Energy: 1.0629543560789403 Energy: 1.047577074395385 Energy: 1.0629543560789403 Energy: 1.0963645847930612 Energy: 1.1832767818365375 Energy: 1.0949609016288788 Energy: 1.1832767818347436 Energy: 1.061135120976024 Energy: 1.1829327354318762 Energy: 1.046522291692789 Energy: 1.1829327354318762 Energy: 1.0824959496545041 Energy: 1.0596813294494614 Energy: 1.0612558766288471 Energy: 1.0596813294494614 Energy: 1.0833837458839966 Energy: 1.0627009625951223 Energy: 1.0613416409255774 Energy: 1.0627009625951223 Energy: 1.060891491115779 Energy: 1.0568229026904328 Energy: 1.0563180245647654 Energy: 1.0568229026886389 Energy: 1.0472266627746862 Energy: 1.0610528374458827 Energy: 1.0608402377261619 Energy: 1.0610528374458827 minimum gb energy = 1.046522291692789 eV minimum distance = 2.23480089896851 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 1.8300454698059505 Energy: 1.0162344868586133 Energy: 1.3407665317583284 Energy: 1.008179540106613 Energy: 1.1848490261941529 Energy: 1.0111186809182624 Energy: 1.2315597134923089 Energy: 1.011118680909991 Energy: 1.0150161246081197 Energy: 1.0107562195144175 Energy: 1.2138430576506847 Energy: 1.010756219518929 Energy: 1.4067229869019713 Energy: 1.0146893831437498 Energy: 1.1911899400023476 Energy: 1.0146893831399901 Energy: 1.3984941690343198 Energy: 1.0118694492783922 Energy: 1.4209479645404905 Energy: 1.0118694492746327 Energy: 1.2131849764914275 Energy: 1.0120650673112803 Energy: 1.542111047866768 Energy: 1.012065067313536 Energy: 1.2097726991519642 Energy: 1.0108325031000724 Energy: 1.424723385203873 Energy: 1.0108325030880416 Energy: 1.190874416994388 Energy: 1.0135945249520346 Energy: 1.225718457707686 Energy: 1.0135945249535383 Energy: 1.0374468746470047 Energy: 1.0148652551331414 Energy: 1.19203185209586 Energy: 1.0148652551459239 Energy: 1.0226274173349885 Energy: 1.011065392300721 Energy: 1.2261000969722973 Energy: 1.0110653922924497 Energy: 1.0106403928772945 Energy: 1.0198921487184451 Energy: 1.83158272823489 Energy: 1.01989214870867 Energy: 1.1853106546649934 Energy: 1.0151338539531987 Energy: 1.4034274092403851 Energy: 1.015133853950191 Energy: 1.4228940847484277 Energy: 1.082199896771254 Energy: 1.209824917170728 Energy: 1.0821998967667423 Energy: 1.395470480275108 Energy: 1.0862227997511242 Energy: 1.4050264301022088 Energy: 1.0862227997624032 Energy: 1.2244865120298414 Energy: 1.0130204421413023 Energy: 1.3910611466879288 Energy: 1.013020442136039 Energy: 1.224975241765814 Energy: 1.0123649762965723 Energy: 1.015312246281876 Energy: 1.0123649763040916 Energy: 1.3905368789803525 Energy: 1.0112003200026636 Energy: 1.0124369847815153 Energy: 1.0112003199974 Energy: 1.4211412931347454 Energy: 1.0134124185668296 Energy: 1.0202756761475356 Energy: 1.0134124185660778 Energy: 1.3490939426957667 Energy: 1.0134755716774742 Energy: 1.1837122797025412 Energy: 1.013475571680482 Energy: 1.2259793652258753 Energy: 1.0095991301218163 Energy: 1.2137989370547664 Energy: 1.0095991301293357 Energy: 1.4049117222352892 Energy: 1.0185573328939812 Energy: 1.186207878807116 Energy: 1.0185573328999966 Energy: 1.193311678369289 Energy: 1.0104500691547893 Energy: 1.5413396631372374 Energy: 1.0104500691547893 Energy: 1.220675318890376 Energy: 1.0121787366150734 Energy: 1.4199408427708426 Energy: 1.0121787366218407 Energy: 1.0163376328290747 Energy: 1.0093214566275344 Energy: 1.3916508816290263 Energy: 1.0093214566365576 Energy: 1.1894393317015952 Energy: 1.0113966182456862 Energy: 1.2225473057627427 Energy: 1.011396618244182 Energy: 1.012703428479373 Energy: 1.0101197670549626 Energy: 1.2226917282137886 Energy: 1.0101197670414281 Energy: 1.0105595675655565 Energy: 1.0089619599358823 Energy: 1.3967954938566831 Energy: 1.0089619599388904 Energy: 1.0104375570153867 Energy: 1.0159907072481116 Energy: 1.4286849084588893 Energy: 1.0159907072398406 Energy: 1.1839669890663436 Energy: 1.012571152796568 Energy: 1.3523179406883852 Energy: 1.012571152795816 Energy: 1.2116331080410414 Energy: 1.0868174354190436 Energy: 1.4201776401768949 Energy: 1.0868174354318263 Energy: 1.392076975356334 Energy: 1.094029957718815 Energy: 1.407136469325265 Energy: 1.0940299577136197 Energy: 1.2244456040929839 Energy: 1.0121343154761395 Energy: 1.3913718704958762 Energy: 1.0121343154746354 Energy: 1.224596446511541 Energy: 1.013388983888616 Energy: 1.0244884171553856 Energy: 1.0133889838848564 Energy: 1.3934405542794623 Energy: 1.0090241580608668 Energy: 1.0107924237241404 Energy: 1.0090241580518438 Energy: 1.3492234418265354 Energy: 1.0122471127591952 Energy: 1.0179832104587874 Energy: 1.0122471127667145 minimum gb energy = 1.008179540106613 eV minimum distance = 2.23035715515168 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 1.6002451961172972 Energy: 0.9276045953984315 Energy: 0.9314392649993518 Energy: 0.9971853101632474 Energy: 1.5575517559702625 Energy: 0.9289639385072975 Energy: 1.2454085938361867 Energy: 0.9289639385072975 Energy: 1.5317892019610726 Energy: 0.9271370084621756 Energy: 1.2412938123784458 Energy: 0.9271370084608819 Energy: 1.5326020378851974 Energy: 1.057909972107244 Energy: 1.2340118006208938 Energy: 1.0579099721085377 Energy: 1.5559864608527876 Energy: 1.0579118646461763 Energy: 1.2329793557056026 Energy: 1.05791186464747 Energy: 1.1179350543717375 Energy: 0.9282487650158715 Energy: 1.5557735199493934 Energy: 0.9282487650171651 Energy: 0.920822746722646 Energy: 0.9273996712669815 Energy: 1.5557066777917483 Energy: 0.9273996712656879 Energy: 0.9446093866488714 Energy: 0.9273533033222191 Energy: 1.5431555349934865 Energy: 0.9273533033222191 Energy: 0.9273029198763317 Energy: 0.9269967952064695 Energy: 1.5417804470419354 Energy: 0.9269967952064695 Energy: 0.9306426932867603 Energy: 0.9288971619399279 Energy: 1.4205149612704628 Energy: 0.9288971619399279 Energy: 0.9314392648467592 Energy: 0.9971853101632474 Energy: 1.6002451961172972 Energy: 0.9276045950014554 Energy: 1.2454085938374804 Energy: 0.9289639385060038 Energy: 1.4205846102741004 Energy: 0.9289639385072975 Energy: 1.2412938123784458 Energy: 0.9271370084608819 Energy: 1.5317892019610726 Energy: 0.9271370084608819 Energy: 1.2340118006196 Energy: 1.057909972107244 Energy: 1.532602037886491 Energy: 1.057909972107244 Energy: 1.2329793557056026 Energy: 1.0579118646461763 Energy: 1.5559864608527876 Energy: 1.0579118646461763 Energy: 1.450793538537767 Energy: 0.9282487650158715 Energy: 1.2435899248571742 Energy: 0.9282487650158715 Energy: 1.555706677793042 Energy: 0.9273996712656879 Energy: 0.9208227467239396 Energy: 0.9273996712656879 Energy: 1.54315553499478 Energy: 0.9273533033222191 Energy: 0.9446093866475778 Energy: 0.9273533033222191 Energy: 1.5417804470445224 Energy: 0.9269967952064695 Energy: 0.9273029198776255 Energy: 0.9269967952064695 Energy: 1.5575986331487244 Energy: 0.9288971619412215 Energy: 0.9306426932854667 Energy: 0.9288971619425151 minimum gb energy = 0.920822746722646 eV minimum distance = 2.23928272848243 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 1.9159640840347358 Energy: 0.8335386905639617 Energy: 0.8359984756380221 Energy: 0.8958814071324448 Energy: 1.7585433825746488 Energy: 0.8343622669129122 Energy: 1.0899319027212704 Energy: 0.8343622669068511 Energy: 1.7440659369332996 Energy: 0.8330411131292543 Energy: 1.0872994165836483 Energy: 0.8330411131292543 Energy: 1.347520566182428 Energy: 0.8394033875929997 Energy: 1.3480469405989808 Energy: 0.8394033875929997 Energy: 1.7544103194975769 Energy: 0.9371612466386744 Energy: 1.5414754945011127 Energy: 0.9371612466376642 Energy: 1.3304565774034247 Energy: 0.9358828101894024 Energy: 1.541011114559374 Energy: 0.9358828101904126 Energy: 1.3329044590215862 Energy: 0.9377279683456483 Energy: 1.542843579568231 Energy: 0.9377279683456483 Energy: 1.3493688521516125 Energy: 0.8383024640430855 Energy: 1.5355774023127469 Energy: 0.838302464047126 Energy: 1.0871147957470035 Energy: 0.832922524471511 Energy: 1.5480803570236907 Energy: 0.8329225244725214 Energy: 1.0900800166607578 Energy: 0.8344635313255352 Energy: 1.758767666903545 Energy: 0.8344635313265454 Energy: 0.834763796154456 Energy: 0.8356328154328383 Energy: 1.6292920049951365 Energy: 0.835632815431828 Energy: 0.8403394044696426 Energy: 0.8339466996309254 Energy: 1.759854580161303 Energy: 0.8339466996309254 Energy: 0.8359476942929979 Energy: 0.8375128513691423 Energy: 1.5484811151173554 Energy: 0.8375128513681321 Energy: 1.0823830213338574 Energy: 0.8332479700017261 Energy: 1.7358585664275887 Energy: 0.8332479700007159 Energy: 1.087191632723943 Energy: 0.8327388709596006 Energy: 1.7530287760673102 Energy: 0.8327388709585903 Energy: 1.0909825421986477 Energy: 0.8346739519554367 Energy: 1.7470945895220222 Energy: 0.8346739519544265 Energy: 1.544127894841141 Energy: 0.8354838908287759 Energy: 1.7417963000163061 Energy: 0.8354838908307963 Energy: 1.089694578456122 Energy: 0.941531550975171 Energy: 1.5421626496626957 Energy: 0.941531550975171 Energy: 1.54065031768608 Energy: 0.9371332575518236 Energy: 1.3334448326887536 Energy: 0.9371332575518236 Energy: 1.757051837069523 Energy: 0.9362014897415438 Energy: 1.3304371604643686 Energy: 0.9362014897405337 Energy: 1.6317416085021783 Energy: 0.8334166366032675 Energy: 1.0882377228077476 Energy: 0.8334166366022572 Energy: 1.757506089311036 Energy: 0.832021987558063 Energy: 0.8337698172657902 Energy: 0.832021987558063 Energy: 1.7454720873923262 Energy: 0.8371005224226369 Energy: 1.0828423292886098 Energy: 0.8371005224226369 Energy: 1.5505963849521334 Energy: 0.8335585036644482 Energy: 0.8337047465703278 Energy: 0.8335585036634379 Energy: 1.7535470872122136 Energy: 0.8321837496237654 Energy: 0.8340806625768067 Energy: 0.8321837496247757 Energy: 1.7422422409296296 Energy: 0.8352451494217055 Energy: 0.8336402855037316 Energy: 0.8352451494236798 minimum gb energy = 0.832021987558063 eV minimum distance = 2.24057607431986 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 2.1150996063139527 Energy: 0.767645852401518 Energy: 1.1447139023911161 Energy: 0.8172374813325866 Energy: 1.7129321748866115 Energy: 0.7631541772656489 Energy: 0.9774643662996201 Energy: 0.7631541772623364 Energy: 1.8827375722927966 Energy: 0.7624245720672918 Energy: 0.9784846767854689 Energy: 0.7624245720664634 Energy: 1.5319173087347322 Energy: 0.7698659354098766 Energy: 1.3596633037269268 Energy: 0.7698659354090485 Energy: 1.551379425941335 Energy: 0.7612632866617112 Energy: 1.3650584870934448 Energy: 0.761263286665852 Energy: 1.536115545047615 Energy: 0.7639390066670224 Energy: 1.3601397065993968 Energy: 0.7639390066603969 Energy: 1.5420091455065978 Energy: 0.8511507854394604 Energy: 1.5544064059350418 Energy: 0.8511507854394604 Energy: 1.3614695270404396 Energy: 0.8531347025519163 Energy: 1.3656707547617537 Energy: 0.8531347025469472 Energy: 1.1802550276929853 Energy: 0.76244152860275 Energy: 1.7111189840181744 Energy: 0.762441528606891 Energy: 1.1799296282388216 Energy: 0.7609146689575486 Energy: 1.7122318902413909 Energy: 0.7609146689575486 Energy: 0.9714408811736954 Energy: 0.7733397812132029 Energy: 1.7061370794691368 Energy: 0.7733397812098901 Energy: 0.9728302024124077 Energy: 0.761187395694455 Energy: 1.7132248217794614 Energy: 0.7611873956952834 Energy: 0.9716569988878067 Energy: 0.765182764176053 Energy: 1.7081291053133478 Energy: 0.7651827641752248 Energy: 0.7629487665296636 Energy: 0.7723202558834429 Energy: 1.7039779379628055 Energy: 0.7723202558801301 Energy: 0.765751736004482 Energy: 0.7627512462913008 Energy: 1.886649621615217 Energy: 0.7627512462904725 Energy: 0.7715344897331096 Energy: 0.7648168433021898 Energy: 1.8824228613167577 Energy: 0.7648168433013616 Energy: 0.9722625752987645 Energy: 0.7678056342173545 Energy: 1.8739241501064363 Energy: 0.7678056342165263 Energy: 0.9723582358473755 Energy: 0.7604615761566529 Energy: 1.8847367653126788 Energy: 0.760461576157481 Energy: 0.9789388459199091 Energy: 0.7663503929961292 Energy: 1.5378312446010454 Energy: 0.7663503929961292 Energy: 1.3649159656362047 Energy: 0.7639811816146469 Energy: 1.5354661183324319 Energy: 0.7639811816146469 Energy: 1.4039631814574376 Energy: 0.7620653563596603 Energy: 1.7112804241061939 Energy: 0.7620653563580041 Energy: 1.365884363609073 Energy: 0.8476796703032705 Energy: 1.544735470540791 Energy: 0.8476796703123806 Energy: 1.7114311524728083 Energy: 0.8466611860283092 Energy: 1.535637957050573 Energy: 0.8466611860291373 Energy: 1.3658570826260719 Energy: 0.8493214807725673 Energy: 1.3634058685818995 Energy: 0.8493214807742235 Energy: 1.7146213493070568 Energy: 0.7619133220802277 Energy: 1.176218186429444 Energy: 0.7619133220810559 Energy: 1.7103825361948592 Energy: 0.7635121431355217 Energy: 1.3600715521950297 Energy: 0.7635121431363499 Energy: 1.7162629728600904 Energy: 0.7666519093034716 Energy: 0.9860413790728617 Energy: 0.7666519093042997 Energy: 1.8836438836290172 Energy: 0.7611691106469203 Energy: 0.9723463730086646 Energy: 0.761169110646092 Energy: 1.7134464192828989 Energy: 0.7671296206625129 Energy: 0.9796826257584054 Energy: 0.7671296206616847 Energy: 1.7091537126610332 Energy: 0.7655783519606083 Energy: 0.7636799288574043 Energy: 0.7655783519581237 Energy: 1.8848557710370146 Energy: 0.7623859118701003 Energy: 0.7645378328690043 Energy: 0.7623859118701003 Energy: 1.8733458578440034 Energy: 0.7710822801790386 Energy: 0.7637691385474117 Energy: 0.7710822801815232 minimum gb energy = 0.7604615761566529 eV minimum distance = 2.23950329977259 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 1.8287563578463886 Energy: 0.7117130062575668 Energy: 1.105321520966147 Energy: 0.7562960840332205 Energy: 1.829066622781612 Energy: 0.7095661817639247 Energy: 0.8929636802517765 Energy: 0.7095661817604806 Energy: 1.9796399192746816 Energy: 0.7087824596810818 Energy: 0.8920368655559126 Energy: 0.7087824596810818 Energy: 1.6950643647043502 Energy: 0.7138767069637295 Energy: 1.2354071747391024 Energy: 0.7138767069616248 Energy: 1.6937712405475212 Energy: 0.7051411931907742 Energy: 1.2223859915242312 Energy: 0.7051411931837582 Energy: 1.6826026551621396 Energy: 0.7066694656271649 Energy: 1.2207900137941976 Energy: 0.7066694656299711 Energy: 1.377455490537361 Energy: 0.7068944196566358 Energy: 1.5359771026125877 Energy: 0.7068944196601438 Energy: 1.5417594825029295 Energy: 0.7854388260458802 Energy: 1.2181620208468666 Energy: 0.785438826047985 Energy: 1.3742860852252636 Energy: 0.7789803961964791 Energy: 1.5284909523926975 Energy: 0.7789803961971805 Energy: 1.37297639379688 Energy: 0.779606619359829 Energy: 1.828616721357482 Energy: 0.7796066193556197 Energy: 1.2328196634868274 Energy: 0.7101853531502833 Energy: 1.5278666694217844 Energy: 0.710185353147477 Energy: 1.0636594299751974 Energy: 0.7054393285172524 Energy: 1.82848887892325 Energy: 0.7054393285151477 Energy: 1.2229378750454956 Energy: 0.7073545720917065 Energy: 1.8291085559680258 Energy: 0.707354572087497 Energy: 0.8894956530825016 Energy: 0.7134903585881319 Energy: 1.5382222987924863 Energy: 0.7134903585818176 Energy: 0.8828708485967601 Energy: 0.706204654636286 Energy: 1.978297327656642 Energy: 0.7062046546327782 Energy: 0.8925667904853024 Energy: 0.7104848428588185 Energy: 1.8324159593417626 Energy: 0.7104848428560122 Energy: 0.7097123973299504 Energy: 0.7124915301690957 Energy: 1.8379001928346381 Energy: 0.7124915301676925 Energy: 0.7061166486538677 Energy: 0.7064888756455024 Energy: 1.9761982005932035 Energy: 0.7064888756440991 Energy: 0.7229871335925558 Energy: 0.711505493773942 Energy: 1.6859459166664112 Energy: 0.7115054937774499 Energy: 0.8947182514410585 Energy: 0.7100488747591874 Energy: 1.9827049156017007 Energy: 0.7100488747598891 Energy: 0.8788034078577733 Energy: 0.7061106162563715 Energy: 1.977375156172763 Energy: 0.7061106162626859 Energy: 0.8979634345674832 Energy: 0.7130317082328645 Energy: 1.6905949477599174 Energy: 0.7130317082405818 Energy: 1.2229537125606733 Energy: 0.707734396633127 Energy: 1.6786127725376918 Energy: 0.7077343966303208 Energy: 1.2253552550270246 Energy: 0.70609737499408 Energy: 1.8309146359505986 Energy: 0.70609737499408 Energy: 1.230515519712304 Energy: 0.7099397230410974 Energy: 1.3838758472568404 Energy: 0.7099397230403958 Energy: 1.5292613046161136 Energy: 0.7788151786288452 Energy: 1.830136773164633 Energy: 0.7788151786302484 Energy: 1.2213216733254557 Energy: 0.7795152967982596 Energy: 1.5304551411327847 Energy: 0.7795152967989611 Energy: 1.538597409077533 Energy: 0.7858408788547435 Energy: 1.3852499762595227 Energy: 0.7858408788533404 Energy: 1.5322335010677863 Energy: 0.7066289088182169 Energy: 1.5344265937108141 Energy: 0.7066289088154105 Energy: 1.5280894375196854 Energy: 0.7068640701301391 Energy: 1.2229357374112544 Energy: 0.7068640701266311 Energy: 1.8413032947441728 Energy: 0.7050958207825412 Energy: 1.0638920922431592 Energy: 0.7050958207902586 Energy: 1.5365143607127043 Energy: 0.7129444341708894 Energy: 1.2330698392645447 Energy: 0.7129444341722925 Energy: 1.8298240151996783 Energy: 0.7085386297400607 Energy: 0.890322581563089 Energy: 0.7085386297365528 Energy: 1.9822347498876498 Energy: 0.7089920221272847 Energy: 0.8924431658201916 Energy: 0.7089920221293895 Energy: 1.8233090244761543 Energy: 0.7145435918736613 Energy: 0.7327029639888514 Energy: 0.7145435918708549 Energy: 1.9824836366416834 Energy: 0.7090422368267393 Energy: 0.7134190034280846 Energy: 0.7090422368274407 Energy: 1.975122183744142 Energy: 0.7096050941193852 Energy: 0.711303866478943 Energy: 0.7096050941200869 minimum gb energy = 0.7050958207825412 eV minimum distance = 2.23978222478016 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 1.959195037025399 Energy: 0.6421753769792536 Energy: 0.6419456943559636 Energy: 0.6818073903548659 Energy: 1.9013612826157902 Energy: 0.6439353060214699 Energy: 0.8023553887805343 Energy: 0.6439353060220506 Energy: 1.766762619003988 Energy: 0.6431400381900203 Energy: 0.8020902379374796 Energy: 0.6431400382070579 Energy: 1.494312673311904 Energy: 0.6416434195544835 Energy: 1.0939684545864439 Energy: 0.6416434195417329 Energy: 1.7803775937346344 Energy: 0.6411859373898422 Energy: 1.0942297982111342 Energy: 0.6411859373867997 Energy: 1.49703060602475 Energy: 0.6424560466523055 Energy: 1.0964716484743997 Energy: 0.6424560466510886 Energy: 1.4958961398334147 Energy: 0.642787159006695 Energy: 1.366073576377313 Energy: 0.642787159006695 Energy: 1.6383741036983779 Energy: 0.6411458276754546 Energy: 1.0879901399843825 Energy: 0.6411458276730206 Energy: 1.504114770964875 Energy: 0.6422729582142993 Energy: 1.3683677904312688 Energy: 0.6422729582294837 Energy: 1.5018386548750786 Energy: 0.762502283935398 Energy: 1.636718324887508 Energy: 0.7625022839256622 Energy: 1.367086744355523 Energy: 0.7620236362037809 Energy: 1.3635888252806858 Energy: 0.7620236362031723 Energy: 1.2318626769274115 Energy: 0.6412540894434646 Energy: 1.6377606562677416 Energy: 0.6412540894483049 Energy: 1.3654783278902454 Energy: 0.6414147567670021 Energy: 1.6336816847733298 Energy: 0.6414147567676107 Energy: 1.0942634704568006 Energy: 0.6434997290326308 Energy: 1.360086547578976 Energy: 0.6434997290344564 Energy: 0.9429026938762928 Energy: 0.6414029425027648 Energy: 1.9002244331688023 Energy: 0.6414029425033732 Energy: 1.093805640228626 Energy: 0.6442978522845397 Energy: 1.6333916975473615 Energy: 0.6442978522839313 Energy: 0.8009201060038835 Energy: 0.6417346706201882 Energy: 1.630225335907986 Energy: 0.6417346706201882 Energy: 0.7924011462910743 Energy: 0.6415052052012452 Energy: 2.030915796002407 Energy: 0.6415052052018536 Energy: 0.7988465229061859 Energy: 0.6419522317615943 Energy: 1.8922943337694227 Energy: 0.6419522317609858 Energy: 0.642512555309185 Energy: 0.642379190070675 Energy: 1.8919767091790176 Energy: 0.6423791900712835 Energy: 0.6427931254540077 Energy: 0.6422029816899153 Energy: 2.031338722158947 Energy: 0.6422029816893068 Energy: 0.6420305697165175 Energy: 0.6418217206279724 Energy: 1.7619639203080213 Energy: 0.6418217206291894 Energy: 0.7989552241924737 Energy: 0.6440802790135177 Energy: 2.0190710804770573 Energy: 0.6440802790153433 Energy: 0.7979089262733181 Energy: 0.641518657115859 Energy: 1.9032238268587223 Energy: 0.6415186571152506 Energy: 0.7988820661048114 Energy: 0.6448604225095603 Energy: 1.494569367546109 Energy: 0.6448604225083433 Energy: 1.0952361232149224 Energy: 0.6421813974755743 Energy: 2.024869048602197 Energy: 0.6421813974743573 Energy: 1.0933452753316368 Energy: 0.6415325988645119 Energy: 1.76921544113754 Energy: 0.6415325988639033 Energy: 1.2639747992229124 Energy: 0.644132373765986 Energy: 1.496868977924232 Energy: 0.644132373765986 Energy: 1.368677715131409 Energy: 0.6412644884862326 Energy: 1.7819976558567603 Energy: 0.6412644884831902 Energy: 1.3653511016324906 Energy: 0.643020200419118 Energy: 1.4995026238371136 Energy: 0.6430202004209435 Energy: 1.6373954939828979 Energy: 0.7634004099346797 Energy: 1.2292260794864374 Energy: 0.7634004099346797 Energy: 1.3626576172282276 Energy: 0.7630439705897047 Energy: 1.6397829992996857 Energy: 0.7630439705878792 Energy: 1.6368122666120166 Energy: 0.642349739238649 Energy: 1.2267727587556996 Energy: 0.6423497392112671 Energy: 1.9002100067479963 Energy: 0.641351247347805 Energy: 1.2274442376310795 Energy: 0.6413512473502389 Energy: 1.3607342091160275 Energy: 0.6444053301187977 Energy: 1.0944379614648536 Energy: 0.6444053301175807 Energy: 1.9009294477268377 Energy: 0.6415686347569987 Energy: 1.094016370365886 Energy: 0.6415686347569987 Energy: 1.8981931652885913 Energy: 0.6422413240734854 Energy: 1.0949819599765251 Energy: 0.6422413240716599 Energy: 1.6308835263865817 Energy: 0.6415624283355948 Energy: 0.7997986289957484 Energy: 0.6415624283362034 Energy: 2.0351160768438574 Energy: 0.6412860494588941 Energy: 0.7977755181903257 Energy: 0.6412860494588941 Energy: 1.8917341332764008 Energy: 0.6418566642176973 Energy: 0.8006250243904116 Energy: 0.6418566642164802 Energy: 1.6283834069881886 Energy: 0.6415069145168962 Energy: 0.6418198267575179 Energy: 0.6415069145162878 Energy: 2.0311633211233584 Energy: 0.641800698155039 Energy: 0.6423352347766175 Energy: 0.6418006981544306 Energy: 1.7615747175966223 Energy: 0.6419886181991257 Energy: 0.642092072543065 Energy: 0.6419886181997342 minimum gb energy = 0.6411458276730206 eV minimum distance = 2.24082258524663 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.020480072612895705 Energy: 0.624273335654852 Energy: 1.6181493951451018 Energy: 0.021111194469256585 Energy: 8.570491079834127 Energy: 0.16787987766649193 Energy: 1.151574235299926 Energy: 0.16787987766514056 Energy: 0.021234293914185763 Energy: 0.16548677686339727 Energy: 1.149674049968171 Energy: 0.165486776863865 Energy: 0.023025292858241047 Energy: 0.16467613725078342 Energy: 1.1460680675742054 Energy: 0.16467613725218672 Energy: 8.894297004651891 Energy: 0.16660127818825587 Energy: 1.1501275402342372 Energy: 0.16660127818638476 Energy: 0.021149587113193105 Energy: 0.16521985690483482 Energy: 1.1500860418026697 Energy: 0.16521985690618612 minimum gb energy = 0.020480072612895705 eV minimum distance = 2.45672684614493 Angstroms sigma value = 1