Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.613315671682358 cohesive_energy=3.540278409465544 mass=63.546 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: 0.013700239895514795 Energy: 0.014469391594775527 Energy: 0.8633263886622521 Energy: 0.014469391594775527 Energy: 0.014469391594775527 Energy: 0.7316223379181112 Energy: 0.014469391594775527 Energy: 0.7316223379181112 Energy: 0.8633263886622521 Energy: 0.014469391594775527 Energy: 0.01370023989610772 Energy: 0.014469391594775527 Energy: 0.014469391594775527 Energy: 0.7316223379181112 Energy: 0.014469391594775527 Energy: 0.7316223379181112 minimum gb energy = 0.013700239895514795 eV minimum distance = 2.47126489494435 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 0.9558537991240532 Energy: 1.0030196337673754 Energy: 0.9164666285632342 Energy: 1.0030196337673754 Energy: 0.8945424619522494 Energy: 1.14355773810205 Energy: 0.898153524775881 Energy: 1.1435577381028112 Energy: 1.017127196759243 Energy: 0.9949307168993342 Energy: 0.9444464612571992 Energy: 0.9949307168993342 Energy: 0.8904029702322939 Energy: 1.0754159606300293 Energy: 0.8653327037632202 Energy: 1.0754159606300293 Energy: 0.9350705466377702 Energy: 1.06224827854564 Energy: 0.8760537702808006 Energy: 1.06224827854564 Energy: 0.8572549012324171 Energy: 1.1809054318308148 Energy: 0.8399384672526646 Energy: 1.1809054318308148 Energy: 0.9329382687885285 Energy: 1.0836182852705083 Energy: 0.875836135380024 Energy: 1.083618285269747 Energy: 0.8188205228479076 Energy: 1.0626163069324996 Energy: 0.8285155175785115 Energy: 1.0626163069324996 Energy: 0.8782773918793775 Energy: 1.1112106150605132 Energy: 1.0063701852967197 Energy: 1.1112106080908075 Energy: 0.8324892099495768 Energy: 0.9956610803381204 Energy: 0.8125914817831025 Energy: 0.9956610803373591 Energy: 1.022410118172922 Energy: 0.9578105501755174 Energy: 0.8783736268961895 Energy: 0.9578105501755174 Energy: 0.9184522615511533 Energy: 1.0636210584515913 Energy: 0.8429242712452647 Energy: 1.0636210584523527 Energy: 0.8973369491363269 Energy: 1.1182156670574523 Energy: 0.932855425757083 Energy: 1.1182156670574523 Energy: 0.9468639603816897 Energy: 0.9984391771461419 Energy: 0.8581994381414365 Energy: 0.9984391771461419 Energy: 0.9228981814569494 Energy: 1.0621853551234144 Energy: 0.9959511782129256 Energy: 1.0621853551234144 Energy: 0.9224196548605273 Energy: 1.1199664245346093 Energy: 0.8935056782348731 Energy: 1.1199664245353704 Energy: 0.9443324092157425 Energy: 0.9966684460199144 Energy: 0.8811081716991691 Energy: 0.9966684460199144 Energy: 0.8982138271045643 Energy: 1.119496312475953 Energy: 0.9326373621214884 Energy: 1.1194963124767146 Energy: 0.8213086141191069 Energy: 1.0056854858086 Energy: 0.8417077112031549 Energy: 1.0056854858086 Energy: 1.0148312713504497 Energy: 0.8849024908261669 Energy: 0.8798265793402609 Energy: 0.8849024908261669 Energy: 0.8351945288497948 Energy: 0.9954792946254668 Energy: 0.8113991790240945 Energy: 0.9954792946254668 Energy: 0.879306895422966 Energy: 1.1793102526023653 Energy: 1.0043124077434495 Energy: 1.1793102526023653 Energy: 0.9744498544105454 Energy: 1.0630867332864031 Energy: 0.8822317434005745 Energy: 1.0630867332864031 Energy: 0.9638678777726365 Energy: 1.0488139430413341 Energy: 0.8760768435391931 Energy: 1.048813943040573 Energy: 0.8742329582574145 Energy: 1.1747882598688346 Energy: 1.0333128584534605 Energy: 1.1747882598680734 Energy: 0.9341861229116399 Energy: 1.0579379098756383 Energy: 0.8612172504470104 Energy: 1.0579379098756383 Energy: 0.8891148758263345 Energy: 0.939217199311676 Energy: 0.8789705291878667 Energy: 0.9392171993109146 Energy: 1.0050545958163193 Energy: 0.9938148371420279 Energy: 0.942261693893345 Energy: 0.9938148371420279 Energy: 0.8938563649766433 Energy: 1.0543520957594705 Energy: 0.8959255374701419 Energy: 1.0543520957594705 Energy: 0.9560309447187795 Energy: 1.0039543220362996 Energy: 0.9201578796005677 Energy: 1.0039543220355727 Energy: 0.8973132512146753 Energy: 1.0862086768478747 Energy: 0.8972574055247853 Energy: 1.0862086768478747 Energy: 0.8685412811098405 Energy: 0.9992379149570749 Energy: 0.9475035841310495 Energy: 0.9992379149570749 Energy: 0.9125091823902814 Energy: 0.8862268656603781 Energy: 0.864956808301879 Energy: 0.8862268656603781 minimum gb energy = 0.8113991790240945 eV minimum distance = 2.32906863888234 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 1.0164720806481962 Energy: 1.0672389666763349 Energy: 0.9799381446539027 Energy: 1.0672389666745985 Energy: 0.9335785519274511 Energy: 1.1970023735605924 Energy: 0.9366885482673077 Energy: 1.1970023735605924 Energy: 1.0711729583455614 Energy: 1.052923877286332 Energy: 0.9829289354117381 Energy: 1.0529238772889367 Energy: 0.903905644769079 Energy: 0.9045680594497232 Energy: 0.8974993576957976 Energy: 0.9045680594523275 Energy: 0.904020559075904 Energy: 1.130640534564751 Energy: 1.0494633461535146 Energy: 1.1306405345630146 Energy: 0.9943564693349705 Energy: 1.1358370029485776 Energy: 0.9383393959616931 Energy: 1.1358370029485776 Energy: 1.0281667879703649 Energy: 1.0877927746739176 Energy: 0.9226406860292633 Energy: 1.0877927746739176 Energy: 0.847331134620138 Energy: 1.0741672626025043 Energy: 0.8703076544241833 Energy: 1.074167262601636 Energy: 0.9178827062288415 Energy: 0.9324137362614775 Energy: 1.086810302779572 Energy: 0.9324137362614775 Energy: 0.8771953265044924 Energy: 1.1449955935966984 Energy: 0.9586337160154457 Energy: 1.1449955935966984 Energy: 0.9190486423836444 Energy: 1.089738572151262 Energy: 0.9431694545205144 Energy: 1.089738572150394 Energy: 0.8841423027150834 Energy: 1.0594002948027026 Energy: 1.0102601304483922 Energy: 1.059400294805307 Energy: 0.982055393194566 Energy: 1.1287328775796215 Energy: 0.9217219559644386 Energy: 1.1287328775778858 Energy: 0.9820175471466239 Energy: 1.1288632147488151 Energy: 0.9788514490246002 Energy: 1.1288632147479472 Energy: 0.8841014823940776 Energy: 1.0592463839137576 Energy: 0.9498110357716479 Energy: 1.0592463839137576 Energy: 0.9191461041343704 Energy: 1.089562683138845 Energy: 0.9232087153576326 Energy: 1.089562683138845 Energy: 0.8771905118190487 Energy: 1.1450129405145033 Energy: 0.9058603809378384 Energy: 1.1450129405145033 Energy: 0.9178667531774692 Energy: 0.9323804502307184 Energy: 0.9523817799924635 Energy: 0.9323804502289821 Energy: 0.8473114781328408 Energy: 1.0740076148301338 Energy: 0.8772406677029971 Energy: 1.0740076148292657 Energy: 1.0281990073755671 Energy: 1.0876912302303097 Energy: 0.920741906328395 Energy: 1.0876912302320456 Energy: 0.9944871107484711 Energy: 1.1355364158563872 Energy: 0.9396838534839168 Energy: 1.1355364158537828 Energy: 0.9040509828123703 Energy: 1.130745796899862 Energy: 0.9129124143785016 Energy: 1.1307457968972576 Energy: 0.9039744062005046 Energy: 0.9042677977128624 Energy: 0.9059147518286438 Energy: 0.9042677977119943 Energy: 1.0713379043128388 Energy: 1.0529247489269422 Energy: 0.9504022404940693 Energy: 1.0529247489286784 Energy: 0.9335209156438347 Energy: 1.1970544582263123 Energy: 0.9366171755567029 Energy: 1.1970544582263123 Energy: 1.0164720806481962 Energy: 1.0672389666763349 Energy: 1.070124023369682 Energy: 1.0672389666745985 Energy: 0.9335785519274511 Energy: 1.1970023735605924 Energy: 0.9366885482673077 Energy: 1.1970023735605924 Energy: 1.0711729583464293 Energy: 1.052923877286332 Energy: 1.0107210081670517 Energy: 1.0529238772889367 Energy: 0.9039056447682109 Energy: 0.9045680594505914 Energy: 0.8904101134573913 Energy: 0.9045680594505914 minimum gb energy = 0.8473114781328408 eV minimum distance = 2.28504381320244 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 0.9551754509333854 Energy: 1.1182167388116244 Energy: 1.0933587749234779 Energy: 1.1182167388116244 Energy: 0.9923891103970528 Energy: 1.1484820480363869 Energy: 1.0150619365105242 Energy: 1.1484820480363869 Energy: 0.9456307290906859 Energy: 1.177303553774037 Energy: 0.9314468736507249 Energy: 1.177303553774037 Energy: 0.9247073815975267 Energy: 0.9586641373504892 Energy: 0.9347221828294052 Energy: 0.9586641373656266 Energy: 0.9355248297351582 Energy: 1.1634361383010816 Energy: 1.0910790240685675 Energy: 1.1634361383010816 Energy: 1.0419705845867533 Energy: 1.1815568307412259 Energy: 1.085387750769679 Energy: 1.1815568307412259 Energy: 0.9792988197258314 Energy: 1.1991683891226934 Energy: 0.9795483918927289 Energy: 1.1991683891226934 Energy: 1.1376658191702687 Energy: 1.1234285221674225 Energy: 0.8994614617176651 Energy: 1.1234285221664133 Energy: 0.9796555538414968 Energy: 1.11145240491103 Energy: 0.9786735857795784 Energy: 1.111452404912039 Energy: 0.9332396185184753 Energy: 1.1820983246285042 Energy: 0.9151877855600062 Energy: 1.1820983246285042 Energy: 0.9698321139553139 Energy: 1.1167856934591105 Energy: 0.9904425259787398 Energy: 1.1167856934591105 Energy: 0.9570520252183885 Energy: 1.1537304587994757 Energy: 1.1046023791141886 Energy: 1.1537304587994757 Energy: 0.9315131199463516 Energy: 1.0515478982635078 Energy: 0.928166404020474 Energy: 1.0515478982635078 Energy: 0.9806423874775276 Energy: 1.0211316797410368 Energy: 0.979455200884041 Energy: 1.0211316797410368 Energy: 1.0095348849183017 Energy: 1.1651845367849838 Energy: 0.898397967899261 Energy: 1.1651845367849838 Energy: 1.035101611594919 Energy: 0.975922178826941 Energy: 0.967670682774652 Energy: 0.975922178826941 Energy: 0.8853946654506554 Energy: 1.1833113341783346 Energy: 0.8831906412898725 Energy: 1.1833113341783346 Energy: 0.9352768627378314 Energy: 1.1733749721869815 Energy: 0.970716360491594 Energy: 1.1733749721869815 Energy: 0.9240463908015556 Energy: 0.9583344359229898 Energy: 0.9354498754357176 Energy: 0.9583344359381273 Energy: 0.9793114579298211 Energy: 1.1786928923541082 Energy: 0.9566749161868396 Energy: 1.1786928923541082 Energy: 0.960177570122088 Energy: 1.0892694610667792 Energy: 0.9569114185387888 Energy: 1.0892694610667792 Energy: 0.9572405891347037 Energy: 1.1283642829165033 Energy: 1.0417709665934942 Energy: 1.1283642829165033 Energy: 0.9906126975854236 Energy: 1.1145773095639366 Energy: 1.0110642579707567 Energy: 1.1145773095639366 Energy: 1.1541595876582063 Energy: 1.1814995476623908 Energy: 0.9332880980722341 Energy: 1.1814995476613819 Energy: 1.1653492952174136 Energy: 0.9590905590600577 Energy: 0.9625907359396225 Energy: 0.959090559062076 minimum gb energy = 0.8831906412898725 eV minimum distance = 2.28536711321359 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.0008562187297576 Energy: 1.1890366949621611 Energy: 1.0863695390302366 Energy: 1.1890366949621611 Energy: 1.027004526318434 Energy: 1.1067804265501966 Energy: 1.0733128090135382 Energy: 1.1067804265237118 Energy: 0.9916590248897811 Energy: 1.050783939741671 Energy: 0.9568528827304369 Energy: 1.0507839397428747 Energy: 1.2173571138151555 Energy: 1.0244765286730986 Energy: 0.9793023045530868 Energy: 1.0244765286718946 Energy: 1.1327337719060986 Energy: 1.1073980166907795 Energy: 1.1318845608117492 Energy: 1.1073980166919835 Energy: 0.913884347172327 Energy: 1.051317380717758 Energy: 1.2681721784494084 Energy: 1.051317380717758 Energy: 1.1311466828647971 Energy: 0.9490300285862384 Energy: 1.0148041397837164 Energy: 0.9490300285874423 Energy: 1.0685979591938108 Energy: 1.0603667446651766 Energy: 0.9382223962962079 Energy: 1.0603667446651766 Energy: 1.0795613952205236 Energy: 1.1074077197631695 Energy: 1.06195043796778 Energy: 1.107407529877341 Energy: 1.001323327321647 Energy: 1.0487753021483712 Energy: 1.0134539915851277 Energy: 1.0487753021483712 Energy: 0.9722396603088962 Energy: 1.1142257921717629 Energy: 0.9887359686279916 Energy: 1.1142257921705592 Energy: 1.078987304015965 Energy: 1.2268465010475753 Energy: 0.9803279147282665 Energy: 1.2268465010463714 Energy: 0.9124772195823108 Energy: 1.2622227961017145 Energy: 0.9522168627461083 Energy: 1.2622227961017145 Energy: 1.0441405732117843 Energy: 1.036370943905849 Energy: 1.115697648630513 Energy: 1.036370943904645 Energy: 0.912487855947317 Energy: 1.262166859746103 Energy: 1.0687946978286753 Energy: 1.262166859746103 Energy: 1.0789664240306704 Energy: 1.2283291658551732 Energy: 0.9806855444405141 Energy: 1.2283291658551732 Energy: 0.972390316009964 Energy: 1.114391301491347 Energy: 0.9562432662115378 Energy: 1.1143913014925506 Energy: 1.0012810623204798 Energy: 1.048754139330017 Energy: 1.0131100719069912 Energy: 1.048754139330017 Energy: 1.0794768434945774 Energy: 1.1068236777276805 Energy: 1.0320291396968768 Energy: 1.10682367799242 Energy: 1.0685726097092452 Energy: 1.060410951408833 Energy: 0.938308718464156 Energy: 1.0604109514112403 Energy: 1.1311531168217104 Energy: 0.9488335396027369 Energy: 1.0148053444513068 Energy: 0.9488335396027369 minimum gb energy = 0.9124772195823108 eV minimum distance = 2.38014363304506 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 0.9650896897244302 Energy: 1.1597826365948583 Energy: 1.166505206009516 Energy: 1.1597826365948583 Energy: 0.9466874506178061 Energy: 1.173144932511525 Energy: 0.9324964778305176 Energy: 1.1731449325085477 Energy: 1.063877722119324 Energy: 1.2957651891630941 Energy: 0.932955838087414 Energy: 1.2957651891630941 Energy: 1.394046820308448 Energy: 1.1861283797596356 Energy: 1.1332997685357873 Energy: 1.1861283797596356 Energy: 1.1332893663923613 Energy: 1.0624989451022837 Energy: 1.0156605831835208 Energy: 1.0624989451007947 Energy: 0.9323283986497041 Energy: 1.2350770106699342 Energy: 1.3590675630712081 Energy: 1.2350770106714233 Energy: 1.0412882125762752 Energy: 1.1470549878994014 Energy: 1.063416551746209 Energy: 1.1470549878994014 Energy: 1.253575447343314 Energy: 1.2073455456139237 Energy: 1.017922810470398 Energy: 1.2073455456154125 Energy: 0.9329516687520895 Energy: 1.060757587412463 Energy: 1.0014408150533451 Energy: 1.060757587412463 Energy: 1.2083698734040569 Energy: 1.260183091992029 Energy: 1.0627571563043885 Energy: 1.260183091992029 Energy: 0.9773567049005815 Energy: 1.2635182035370776 Energy: 1.3209995410775708 Energy: 1.2635182035370776 Energy: 1.062624021438923 Energy: 1.0230197140197779 Energy: 1.1577257824800065 Energy: 1.0230197140197779 Energy: 1.127127445454218 Energy: 1.2353323263999583 Energy: 0.9317200334775085 Energy: 1.2353323263999583 Energy: 1.0635601239764771 Energy: 1.1312029718712262 Energy: 1.0939324472127947 Energy: 1.131202971872715 Energy: 1.0170065860196882 Energy: 1.131731920963243 Energy: 1.2543373831824303 Energy: 1.131731920963243 Energy: 1.0007488311625274 Energy: 1.2816871879500908 Energy: 0.9357000798416283 Energy: 1.2816871879500908 Energy: 1.0633612834886927 Energy: 1.0267844750387631 Energy: 1.2068255099432945 Energy: 1.0267844750387631 minimum gb energy = 0.9317200334775085 eV minimum distance = 2.36426635806586 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 1.0438400766927325 Energy: 1.3077124704907908 Energy: 1.3145708578962703 Energy: 1.3077124704907908 Energy: 1.1256264327300574 Energy: 1.084150498005476 Energy: 0.9542501990726372 Energy: 1.084150498005476 Energy: 1.2529445082671729 Energy: 1.250393410999578 Energy: 0.9542779996621754 Energy: 1.2503934109987351 Energy: 1.0433737621294998 Energy: 1.2581088183796432 Energy: 1.1366525997518795 Energy: 1.2581088183796432 Energy: 1.1835187670030036 Energy: 1.110528101580177 Energy: 1.1883079820095954 Energy: 1.110528101579334 Energy: 0.965002698416745 Energy: 1.061648072208725 Energy: 1.4057457702421383 Energy: 1.0616480721986068 Energy: 1.0610174512310708 Energy: 1.0655154971203524 Energy: 1.0924050996377326 Energy: 1.0655154971211955 Energy: 1.2579448665743418 Energy: 1.0595196754602154 Energy: 0.9646099998027485 Energy: 1.0595196754568426 Energy: 1.0414631045361422 Energy: 1.2375511895471696 Energy: 1.2155400436429775 Energy: 1.2375511895471696 Energy: 1.2969276060745336 Energy: 1.1740826031735525 Energy: 1.0466379312585077 Energy: 1.174082603171866 Energy: 0.9542727614058819 Energy: 1.1017382377404163 Energy: 1.40239399105687 Energy: 1.1017382377395732 Energy: 1.071944019569951 Energy: 1.0650505045901908 Energy: 1.1106400878141238 Energy: 1.0650505045901908 Energy: 1.3727917086601882 Energy: 1.0441303067061711 Energy: 1.0493845404574869 Energy: 1.044130306705328 Energy: 0.9545520784312241 Energy: 1.1629278190628762 Energy: 1.1662640105460498 Energy: 1.1629278190004804 Energy: 1.1126123387150644 Energy: 1.065565382132409 Energy: 1.081296930753877 Energy: 1.065565382132409 Energy: 1.1621295603764936 Energy: 1.2540572537502541 Energy: 1.1642299104795963 Energy: 1.2540572537502541 Energy: 1.0596551643733323 Energy: 1.1511676958693844 Energy: 1.2560934449160859 Energy: 1.1511676958685408 Energy: 1.3703623243325371 Energy: 1.2887181699695043 Energy: 0.96496812174357 Energy: 1.2887181699695043 Energy: 0.9980641425297917 Energy: 1.1810484597342832 Energy: 1.025313318444522 Energy: 1.1810484597435584 Energy: 1.072129447572566 Energy: 1.0579805720915922 Energy: 1.0698386644124438 Energy: 1.0579805720890625 Energy: 1.0585772202632968 Energy: 1.0943888961823505 Energy: 1.1620147895857216 Energy: 1.094388896180664 Energy: 1.0345227179361696 Energy: 1.1092847047658743 Energy: 1.29555181418561 Energy: 1.1092847047658743 Energy: 1.1724156475715406 Energy: 1.234409897499391 Energy: 0.9517446711956433 Energy: 1.234409897499391 Energy: 1.0556385830946697 Energy: 1.1828941219155114 Energy: 1.2163863026098518 Energy: 1.1828941219155114 Energy: 1.0436285109493257 Energy: 1.3234893183671124 Energy: 1.2181432519941784 Energy: 1.3234893183679552 Energy: 1.2832219204559283 Energy: 1.1021039053759203 Energy: 0.9531292820844465 Energy: 1.1021039053633108 Energy: 1.0162214372650096 Energy: 1.2566643839332963 Energy: 1.3137495028663946 Energy: 1.2566643839324532 Energy: 1.162989992441846 Energy: 1.0584226133358812 Energy: 1.163177058839299 Energy: 1.058422613329979 Energy: 1.2558671368986434 Energy: 1.1957587540956531 Energy: 1.061002558119476 Energy: 1.19575875409481 Energy: 0.9647042184416601 Energy: 1.1834559996846192 Energy: 1.2223038724450295 Energy: 1.1834559996846192 minimum gb energy = 0.9517446711956433 eV minimum distance = 2.27177345592863 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 0.8986038680378564 Energy: 0.898461678307359 Energy: 1.324088162308951 Energy: 0.898461678307359 Energy: 1.1825734145109683 Energy: 1.202015408108059 Energy: 1.1507233553869467 Energy: 1.202015408108059 Energy: 0.9173079491612557 Energy: 0.9186222671421383 Energy: 1.1652702271443658 Energy: 0.9186222671421383 Energy: 0.917390633389847 Energy: 0.9184297806158138 Energy: 1.0452370721053041 Energy: 0.9184297806158138 Energy: 1.1825386432261367 Energy: 1.2019610585319551 Energy: 1.067810470698898 Energy: 1.2019610585319551 Energy: 0.8986038680378564 Energy: 0.8984616783093001 Energy: 1.3732540909460218 Energy: 0.898461678307359 Energy: 1.1825734145090272 Energy: 1.202015408108059 Energy: 1.1507233553850054 Energy: 1.202015408108059 Energy: 0.9173079491612557 Energy: 0.9186222671421383 Energy: 1.1652702271443658 Energy: 0.9186222671440796 Energy: 0.917390633389847 Energy: 0.918429780606108 Energy: 1.0703602858560226 Energy: 0.9184297806041669 Energy: 1.1825386432261367 Energy: 1.2019610585338962 Energy: 1.050116203632267 Energy: 1.2019610585319551 Energy: 0.8986038680378564 Energy: 0.898461678307359 Energy: 1.453797197551282 Energy: 0.898461678307359 Energy: 1.1825734145090272 Energy: 1.2020154081099998 Energy: 1.1507233553850054 Energy: 1.202015408108059 Energy: 0.9173079491612557 Energy: 0.9186222671440796 Energy: 1.1652702271443658 Energy: 0.9186222671421383 minimum gb energy = 0.898461678307359 eV minimum distance = 2.342783337312 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 0.990621791896743 Energy: 1.3351526804987746 Energy: 1.5018103408988426 Energy: 1.3351526804987746 Energy: 1.321902958012146 Energy: 1.103207834055211 Energy: 1.071178098806156 Energy: 1.103207834055211 Energy: 1.2074490759323169 Energy: 1.198027811858083 Energy: 1.0117927983315929 Energy: 1.198027811858083 Energy: 1.4272937569735784 Energy: 1.2797419324632169 Energy: 1.0955897507439183 Energy: 1.2797419324632169 Energy: 1.3575336792324866 Energy: 1.0377415828426457 Energy: 1.0589015827014627 Energy: 1.037741582843364 Energy: 0.9794382445519819 Energy: 0.9793718939037038 Energy: 1.4737824179438384 Energy: 0.9793718939029853 Energy: 1.4849581011666113 Energy: 1.3928413300667288 Energy: 1.0568698829224066 Energy: 1.3928413300667288 Energy: 1.208477725545942 Energy: 1.316936975313581 Energy: 1.2563750689569124 Energy: 1.3169369753128626 Energy: 1.2142515082865841 Energy: 1.3648027200005806 Energy: 0.9880600018093871 Energy: 1.3648027200005806 Energy: 1.0602654287937598 Energy: 1.0820577581827266 Energy: 1.0437474466129506 Energy: 1.0820577581834452 Energy: 1.1157425440872168 Energy: 1.354389621341648 Energy: 1.441654662637869 Energy: 1.3543896213423665 Energy: 1.3173656329803372 Energy: 1.3291753916827982 Energy: 1.0226571756770497 Energy: 1.3291753916835165 Energy: 1.0735046703883546 Energy: 1.0848440762260498 Energy: 1.3491746118826036 Energy: 1.0848440762526326 Energy: 1.4267593026647831 Energy: 1.303484424413556 Energy: 0.994003992668361 Energy: 1.303484424413556 Energy: 1.059200230180284 Energy: 1.2291772279245012 Energy: 1.232580987204912 Energy: 1.2291772279252196 Energy: 1.0411752537484122 Energy: 1.288286173362897 Energy: 1.2486099544767657 Energy: 1.2882861733621784 Energy: 1.1465174099498254 Energy: 1.2305062196817338 Energy: 1.05933728931147 Energy: 1.2305062196824523 Energy: 1.1038797097133493 Energy: 1.0345566685268015 Energy: 1.2719550385978886 Energy: 1.0345566685268015 Energy: 1.4697822797053013 Energy: 1.1718813227349656 Energy: 0.9823314767818504 Energy: 1.1718813227349656 Energy: 1.0179180367823375 Energy: 1.1107770940057304 Energy: 1.22465128966216 Energy: 1.1107770940050123 Energy: 1.2593418404193586 Energy: 1.3689632828967169 Energy: 1.2576950189347897 Energy: 1.3689632828959986 Energy: 1.1398657405850035 Energy: 1.1569647431384302 Energy: 1.0573101166207122 Energy: 1.1569647431369932 Energy: 0.9882829912345209 Energy: 1.1713956561678578 Energy: 1.1426795929642473 Energy: 1.1713956561678578 Energy: 1.437518166204147 Energy: 1.2234099195855692 Energy: 1.113371812518364 Energy: 1.2234099195841326 Energy: 1.0562167593841214 Energy: 1.2945743844788866 Energy: 1.4031392408315748 Energy: 1.294574384479605 Energy: 1.1897945052478678 Energy: 0.979594159756404 Energy: 1.1106951206266953 Energy: 0.9795941597549671 Energy: 1.1215795018519015 Energy: 1.2322302529112181 Energy: 1.272964200694662 Energy: 1.2322302529119364 Energy: 0.9957661881066082 Energy: 1.2637212426709026 Energy: 1.276102413015324 Energy: 1.2637212426709026 Energy: 1.1292022179725414 Energy: 0.9796052292955152 Energy: 1.1093175424564121 Energy: 0.9796052292962336 Energy: 1.0230478846058688 Energy: 1.3980741205151626 Energy: 1.4211629427225765 Energy: 1.398074120515881 Energy: 1.3588426335110226 Energy: 1.352541639120798 Energy: 1.1125317487222932 Energy: 1.3525416391200797 Energy: 0.9788799806345613 Energy: 1.0363539921911689 Energy: 1.1421590505930375 Energy: 1.0363539921911689 Energy: 0.9803085244789401 Energy: 1.1563283293304598 Energy: 1.206366096977402 Energy: 1.1563283293304598 Energy: 1.2615738726098562 Energy: 1.288986419959729 Energy: 1.2556123180721463 Energy: 1.2889864199611658 Energy: 1.0188386832686205 Energy: 1.2151737893147343 Energy: 1.4890619974270032 Energy: 1.2151737893147343 minimum gb energy = 0.9788799806345613 eV minimum distance = 2.29894684858822 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.053208456299885 Energy: 1.0520456717723061 Energy: 1.4846979593895375 Energy: 1.0520456717973838 Energy: 1.2547273622312443 Energy: 1.2026937002124318 Energy: 1.0530759365627336 Energy: 1.2026937002124318 Energy: 1.0996994939356837 Energy: 1.0572374916698746 Energy: 1.0049583936062678 Energy: 1.0572374916698746 Energy: 1.251333684351601 Energy: 1.1449444139519398 Energy: 1.1667408802922958 Energy: 1.1449444139530796 Energy: 1.1321917933356236 Energy: 1.1245931720416984 Energy: 0.9906108353555928 Energy: 1.1245931720416984 Energy: 1.1557233181294935 Energy: 1.0081729189343112 Energy: 1.4093599596054547 Energy: 1.008172918935451 Energy: 1.4941382550299345 Energy: 1.2684156052957507 Energy: 1.1013873950633957 Energy: 1.2684156052957507 Energy: 1.0849840512074886 Energy: 1.2019645741624345 Energy: 1.3375470305147834 Energy: 1.2019645741635743 Energy: 1.4200874632257927 Energy: 0.9802228130254395 Energy: 0.9805437299849051 Energy: 0.9802228130254395 Energy: 1.0584416855528256 Energy: 1.1657008848117203 Energy: 0.9807521557253555 Energy: 1.1657008848117203 Energy: 1.0794938721918006 Energy: 1.0568867503324009 Energy: 1.378082823372334 Energy: 1.0568867503324009 Energy: 1.27898844524324 Energy: 1.1711378064822626 Energy: 1.0696990040363856 Energy: 1.1711378064811226 Energy: 1.117325707975856 Energy: 1.188542786201038 Energy: 1.2854960255782744 Energy: 1.188542786201038 Energy: 1.379419002786335 Energy: 1.1708741079923466 Energy: 1.1408278771372677 Energy: 1.1708741079923466 Energy: 0.9907095528636745 Energy: 1.261974509311634 Energy: 1.3846705959019074 Energy: 1.261974509311634 Energy: 1.3335749837314956 Energy: 1.1904572558566897 Energy: 1.052520483823724 Energy: 1.1904572558566897 Energy: 1.052674564491345 Energy: 1.1163150037799283 Energy: 1.0997789323417961 Energy: 1.116315003781068 Energy: 1.0518568622322637 Energy: 1.0519975189154405 Energy: 1.1051108489153159 Energy: 1.0519975189017876 Energy: 1.0410829394012804 Energy: 0.9796314738837726 Energy: 1.1433629263279672 Energy: 0.9796314738826327 Energy: 1.0604830967600605 Energy: 1.3766961018867017 Energy: 1.4553384631568185 Energy: 1.3766961018867017 Energy: 1.3829709364937992 Energy: 1.1423383280272588 Energy: 1.1548785981178533 Energy: 1.1423383280272588 Energy: 1.1252253704402226 Energy: 1.1131782843807387 Energy: 1.4164767596980095 Energy: 1.1131782843807387 minimum gb energy = 0.9796314738826327 eV minimum distance = 2.30985252289128 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 1.0512847585792204 Energy: 1.0663136884367954 Energy: 1.4861935605843697 Energy: 1.0663136884376014 Energy: 1.528642348090197 Energy: 1.1385265442810562 Energy: 1.1159602569919687 Energy: 1.1385265442826682 Energy: 1.0860110548274435 Energy: 1.1642834519780816 Energy: 1.069653140569946 Energy: 1.1642834519788876 Energy: 1.314909294464394 Energy: 1.1196493622111463 Energy: 1.1068371813699849 Energy: 1.1196493622119525 Energy: 1.1085076938379883 Energy: 1.1409618024292723 Energy: 1.0043353396976118 Energy: 1.1409618024300783 Energy: 1.0835210232664765 Energy: 1.056245478543886 Energy: 1.3827484312001486 Energy: 1.056245478544692 Energy: 1.350414466756337 Energy: 1.154995212442279 Energy: 1.1705175130897638 Energy: 1.154995212442279 Energy: 1.0801947758748944 Energy: 1.0010206652891265 Energy: 1.4696911720136279 Energy: 1.0010206652867084 Energy: 1.3178412403566313 Energy: 1.134926817082387 Energy: 1.1013976544222288 Energy: 1.134926817082387 Energy: 1.0711440689160752 Energy: 1.1800714705658857 Energy: 1.4041184792758759 Energy: 1.1800714705674973 Energy: 1.078487737460452 Energy: 1.1922179132601147 Energy: 1.1625798544914243 Energy: 1.1922179132609207 Energy: 1.0025699521159837 Energy: 1.173049922929672 Energy: 1.1166260463344775 Energy: 1.1730499229312839 Energy: 1.0101641901247764 Energy: 1.072108271746924 Energy: 1.2522846466601818 Energy: 1.0721082717453119 Energy: 1.197567832224149 Energy: 0.997074767010276 Energy: 1.2011888529729906 Energy: 0.9970747670094701 Energy: 1.0652426931783217 Energy: 1.29608119097713 Energy: 1.3752878411426803 Energy: 1.296081190977936 Energy: 1.4198374013441588 Energy: 1.0620305699950974 Energy: 1.1135763012985451 Energy: 1.0620305699298094 Energy: 1.0520681270104895 Energy: 1.0899532063657675 Energy: 1.3115567366054157 Energy: 1.0899532063665736 Energy: 1.01478113676688 Energy: 1.0702789970584823 Energy: 1.1171963487848078 Energy: 1.070278997054452 Energy: 1.0522946994436577 Energy: 1.1080692224021558 Energy: 1.149922471033697 Energy: 1.1080692224013498 Energy: 1.060341004753788 Energy: 1.1344085738641576 Energy: 1.1901479117294114 Energy: 1.1344085738641576 Energy: 1.1291951126164816 Energy: 1.2074283609000183 Energy: 1.0864974066251392 Energy: 1.207428360907236 Energy: 1.1114850986120266 Energy: 1.186821490019156 Energy: 1.3049935643442947 Energy: 1.186821490019156 Energy: 1.399298538885053 Energy: 1.1160925401328454 Energy: 1.1193817924048095 Energy: 1.1160925401360697 Energy: 1.0549390009813162 Energy: 1.051323121008183 Energy: 1.5218865075796857 Energy: 1.0513231211105116 Energy: 1.282688539924358 Energy: 1.1577084605585994 Energy: 1.0495875661800766 Energy: 1.1577084605602115 Energy: 1.1696729695614132 Energy: 1.1619625111389211 Energy: 1.0795865901047206 Energy: 1.1619625111373093 Energy: 1.0734752974999635 Energy: 1.1482812155575108 Energy: 1.0471825477801655 Energy: 1.1482812155575108 Energy: 1.2927641856958725 Energy: 1.1190603812284894 Energy: 1.0857981806430919 Energy: 1.1190603812292954 Energy: 1.0819856163233963 Energy: 1.0003343401718683 Energy: 1.2941075335875178 Energy: 1.0003343401710623 Energy: 1.3606025909534931 Energy: 1.237073550048483 Energy: 1.1303624514763033 Energy: 1.2370735500460652 Energy: 1.0603367874285141 Energy: 1.0006957404494603 Energy: 1.3056395373768659 Energy: 1.0006957404494603 minimum gb energy = 0.9970747670094701 eV minimum distance = 2.29713461859113 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 0.9428588468550853 Energy: 0.9423440515612339 Energy: 1.479054780470893 Energy: 0.9423440515612339 Energy: 1.4061194676111062 Energy: 1.1741710649022208 Energy: 0.9407665236378694 Energy: 1.1741710649019401 Energy: 1.0231693152966372 Energy: 1.126861115970207 Energy: 1.160209494646457 Energy: 1.1268611159699262 Energy: 0.9410283541707645 Energy: 0.9152833384228186 Energy: 1.1734651552986133 Energy: 0.9152833384417544 Energy: 0.9434760232878647 Energy: 0.9136696896588316 Energy: 1.1615657829961745 Energy: 0.9136696896593618 Energy: 1.1715261708889904 Energy: 0.9923137535655091 Energy: 1.1714964614506933 Energy: 0.9923137535652595 Energy: 0.9416628947678714 Energy: 0.912964140273584 Energy: 0.9434562658252089 Energy: 0.9129641402730535 Energy: 1.174873426480703 Energy: 0.9133159306438128 Energy: 0.9407959066957472 Energy: 0.9133159306432512 Energy: 1.1600489113206198 Energy: 1.1268621146858597 Energy: 1.340779805678769 Energy: 1.126862114685579 minimum gb energy = 0.9129641402730535 eV minimum distance = 2.33641869925276 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 0.9508731200176793 Energy: 1.01730337216529 Energy: 1.2942937668941719 Energy: 1.0173033721668128 Energy: 1.4618015509928468 Energy: 1.1555779275963796 Energy: 0.9426597786765435 Energy: 1.1555779275956182 Energy: 0.9253110307749964 Energy: 1.0364247241091817 Energy: 1.161385176307134 Energy: 1.0364247241091817 Energy: 1.0111738378351238 Energy: 1.0686871217921656 Energy: 0.9377351769034875 Energy: 1.0686871217914045 Energy: 0.9534650856200281 Energy: 0.9964689198218448 Energy: 1.2307810189584765 Energy: 0.9964689198226062 Energy: 0.9588860777381073 Energy: 1.0398420290034163 Energy: 0.9316500533389318 Energy: 1.0398420290041777 Energy: 0.9279254334306762 Energy: 1.0019342687568424 Energy: 0.9265743180648554 Energy: 1.001934268757604 Energy: 0.9348454404618572 Energy: 0.9467450979223376 Energy: 0.9497758487603294 Energy: 0.9467450979215762 Energy: 0.9333640146892886 Energy: 1.1037299705129933 Energy: 0.9556029842404192 Energy: 1.1037299705152772 Energy: 0.9403822325499903 Energy: 0.9974016567027103 Energy: 0.930065914774769 Energy: 0.9974016567027103 Energy: 0.9668526284602217 Energy: 1.1721986456553297 Energy: 0.9257784504200186 Energy: 1.1721986456545683 Energy: 0.9579727758376411 Energy: 0.9709682850880114 Energy: 1.0570458373716443 Energy: 0.9709682850895343 Energy: 1.0833066025930442 Energy: 0.9458599595548512 Energy: 0.9493637361878848 Energy: 0.9458599595518057 Energy: 0.9345956402723146 Energy: 1.0572796118739105 Energy: 1.2152982943786668 Energy: 1.0572796118723877 Energy: 1.487862689640366 Energy: 1.1825449796550531 Energy: 0.925982361100025 Energy: 1.1825449796542915 Energy: 0.935424363348181 Energy: 1.0130600491103539 Energy: 1.454609906078206 Energy: 1.0130600491111152 Energy: 1.1450012620962093 Energy: 0.9279889370844652 Energy: 0.9525632043722575 Energy: 0.9279889370852265 Energy: 0.9321214136607937 Energy: 1.040521851184166 Energy: 1.1223024635386558 Energy: 1.040521851184166 Energy: 0.9818252382044301 Energy: 1.0022349390700975 Energy: 0.9345276821787922 Energy: 1.002234939070859 Energy: 0.9510145741868308 Energy: 1.0604409396400227 Energy: 0.9396087792623571 Energy: 1.0604409396400227 Energy: 0.9653829594902527 Energy: 1.0961330908388869 Energy: 0.9330380076159868 Energy: 1.0961330908388869 Energy: 0.9458025399958903 Energy: 0.9964760313283908 Energy: 0.9330413282577298 Energy: 0.9964760313283908 Energy: 0.9293392629583196 Energy: 1.174534463754349 Energy: 0.9690323030670887 Energy: 1.174534463754349 Energy: 1.0569951689590062 Energy: 0.9504888955960579 Energy: 0.9568144020036601 Energy: 0.9504888955952966 Energy: 1.0225354656201293 Energy: 1.100724292799957 Energy: 0.9413934738929239 Energy: 1.1007242927984688 Energy: 0.9636218524285827 Energy: 0.9920913064457757 Energy: 0.936490012509773 Energy: 0.9920913064457757 Energy: 0.9284454366302368 Energy: 0.9184112675474262 Energy: 1.0618247910664538 Energy: 0.9184112675474262 Energy: 1.246196424737597 Energy: 1.1450670936163319 Energy: 0.934121350110689 Energy: 1.1450670936170932 Energy: 0.9313234742544894 Energy: 1.1355217556765576 Energy: 1.5031179060841722 Energy: 1.1355217556720238 Energy: 1.1234568349683907 Energy: 1.040490383280361 Energy: 0.9321454362354684 Energy: 1.0404903832795995 Energy: 0.9311949847540049 Energy: 0.9399407239430136 Energy: 1.331354812502592 Energy: 0.9399407239430136 Energy: 1.1431782925649112 Energy: 1.002499457840855 Energy: 0.9477881625071191 Energy: 1.0024994578400939 Energy: 0.9372064910523811 Energy: 1.1737278703653993 Energy: 0.9899889908475642 Energy: 1.173727870364638 minimum gb energy = 0.9184112675474262 eV minimum distance = 2.27581557566521 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 1.0068139471628812 Energy: 1.0803695759115148 Energy: 1.2856062776703991 Energy: 1.0803695759115148 Energy: 1.2676202632646232 Energy: 0.8778072763677022 Energy: 0.8972848498624292 Energy: 0.8778072763666495 Energy: 0.889958425986151 Energy: 0.9073691620595191 Energy: 1.0776466704913152 Energy: 0.9073691620595191 Energy: 0.9041142313377974 Energy: 0.9729823380701126 Energy: 0.8976813155971447 Energy: 0.9729823380690599 Energy: 0.8963070691440246 Energy: 0.903647762811102 Energy: 1.1568730072695441 Energy: 0.903647762811102 Energy: 0.8953747329780146 Energy: 1.0993300346914316 Energy: 0.8976936953624992 Energy: 1.0993300346914316 Energy: 0.8900156909126611 Energy: 1.0010247335083708 Energy: 1.0242295367965397 Energy: 1.0010247335073181 Energy: 0.8902694788831189 Energy: 0.9094160000829672 Energy: 0.8985161941262076 Energy: 0.9094160000819145 Energy: 0.9063905351692392 Energy: 0.9123370608134282 Energy: 0.9657789339853537 Energy: 0.9123370608134282 Energy: 0.9064048615237748 Energy: 1.1311887556341154 Energy: 0.9440374945527973 Energy: 1.1311887556341154 Energy: 0.890633726203792 Energy: 0.9088294425361138 Energy: 0.9155540650357744 Energy: 0.9088294425371665 Energy: 0.8901290032486592 Energy: 1.102865804915512 Energy: 1.0563712884937313 Energy: 1.102865804915512 Energy: 0.8955182577205499 Energy: 1.177217531430828 Energy: 0.8995233503358869 Energy: 1.177217531430828 Energy: 0.8961652629190956 Energy: 0.9096014026459976 Energy: 1.1744532353041113 Energy: 0.9096014026459976 Energy: 0.9585442950978815 Energy: 0.9706419703204449 Energy: 0.8995389030149902 Energy: 0.9706419703204449 Energy: 0.8896886731755183 Energy: 0.9069320044623528 Energy: 1.1819374340945659 Energy: 0.9069320044634056 Energy: 1.0631619997801383 Energy: 1.2958546286028223 Energy: 0.8940269837204753 Energy: 1.2958546286028223 Energy: 1.0068139471628812 Energy: 1.0803695759104623 Energy: 1.2856679231246813 Energy: 1.0803695759115148 Energy: 1.267620263265676 Energy: 0.8778072763677022 Energy: 0.8972848498624292 Energy: 0.8778072763677022 Energy: 0.889958425986151 Energy: 0.9073691620574137 Energy: 1.0776466704923677 Energy: 0.9073691620605718 Energy: 0.904114231339903 Energy: 0.9729823380701126 Energy: 0.8976813155981974 Energy: 0.9729823380690599 Energy: 0.8963070691440246 Energy: 0.903647762811102 Energy: 1.1568730072716498 Energy: 0.9036477628121548 Energy: 0.8953747329780146 Energy: 1.0993300346914316 Energy: 0.8976936953635519 Energy: 1.0993300346914316 Energy: 0.8900156909126611 Energy: 1.0010247335083708 Energy: 0.9029094608590927 Energy: 1.0010247335083708 minimum gb energy = 0.8778072763666495 eV minimum distance = 2.30024122025475 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 0.9013679532966815 Energy: 0.9012630231998702 Energy: 1.3170819306766688 Energy: 0.9012630231998702 Energy: 1.0809992635412347 Energy: 0.8937529675523972 Energy: 0.8840385001907086 Energy: 0.8937529675510959 Energy: 0.8815653976209442 Energy: 0.9796925427043509 Energy: 1.1106525628745714 Energy: 0.9796925427043509 Energy: 1.0108676152493274 Energy: 1.0777753570610027 Energy: 0.8799267092089719 Energy: 1.0777753570629547 Energy: 0.882497785424702 Energy: 0.8988253718472793 Energy: 1.1912920067099022 Energy: 0.8988253718472793 Energy: 0.9444771622562617 Energy: 1.244022731790999 Energy: 0.8883507834780201 Energy: 1.2440227317903487 Energy: 0.8995504026268702 Energy: 1.0932249971410255 Energy: 0.8926271553960653 Energy: 1.093224997140375 Energy: 0.880114571214279 Energy: 1.1110778071875624 Energy: 0.8808851096880204 Energy: 1.1110778071869116 Energy: 0.9038268446751894 Energy: 1.1104353372695968 Energy: 0.9460826577669688 Energy: 1.1104353372682954 Energy: 0.905257365183521 Energy: 1.1123906446815697 Energy: 0.890378860944384 Energy: 1.1123906446815697 Energy: 0.8862905293323577 Energy: 1.0972829087847076 Energy: 0.8887235285510654 Energy: 1.097282908786009 Energy: 0.8872131231209112 Energy: 0.9424656336617848 Energy: 0.8755303848053797 Energy: 0.9424656336624355 Energy: 0.8902974755684968 Energy: 1.105834373121165 Energy: 0.8826885384467711 Energy: 1.1058343731218159 Energy: 0.8992689962269661 Energy: 1.1050483021528978 Energy: 0.9014889836591868 Energy: 1.1050483021528978 Energy: 0.8963452829687457 Energy: 1.115290468506251 Energy: 0.9088933382845423 Energy: 1.115290468506251 Energy: 0.8869644416461683 Energy: 0.8952583409213188 Energy: 1.1895723390439876 Energy: 0.8952583409213188 Energy: 0.8835489429501187 Energy: 1.0816901211535113 Energy: 0.8847523737056904 Energy: 1.0816901211509085 Energy: 0.8766507159733234 Energy: 0.9873063619710273 Energy: 1.0822555401062892 Energy: 0.9873063619716188 Energy: 1.430241116691339 Energy: 1.0082856607938162 Energy: 0.8839256180751421 Energy: 1.0082856608432087 Energy: 0.8853585728959178 Energy: 0.892623980656981 Energy: 1.0948942609607133 Energy: 0.8926239806576317 Energy: 1.3664656113585654 Energy: 0.888174423856967 Energy: 0.897529323042918 Energy: 0.8881744238563163 Energy: 0.8971522134136491 Energy: 0.9895340343906245 Energy: 1.2421623793303518 Energy: 0.9895340343925765 Energy: 0.9897623071319344 Energy: 1.086762943059215 Energy: 0.8864569701959589 Energy: 1.0867629430605164 Energy: 0.8840340239900678 Energy: 0.8874379496800893 Energy: 1.1353523031857728 Energy: 0.8874379496781374 Energy: 0.9483240855764117 Energy: 0.9872645149417195 Energy: 0.8783142816991397 Energy: 0.9872645149417195 Energy: 0.8850957869876116 Energy: 0.9600030985106603 Energy: 0.8830972703383687 Energy: 0.9600030985093589 Energy: 1.0745806560220537 Energy: 1.1098597972048552 Energy: 0.8883311274360103 Energy: 1.1098597972087592 Energy: 0.9127741460541786 Energy: 1.1155147755013564 Energy: 0.8964825369428928 Energy: 1.1155147755013564 Energy: 0.9011704171506817 Energy: 1.1051113689476084 Energy: 0.9012720060099055 Energy: 1.105111368948259 Energy: 0.8845378691202689 Energy: 1.1056838107125315 Energy: 0.9059821033040568 Energy: 1.1056838107118807 Energy: 0.875144359329964 Energy: 0.9568843352512126 Energy: 0.8762923259728204 Energy: 0.9568843352499113 Energy: 0.8859149642764416 Energy: 1.096578527468266 Energy: 0.8835602688367542 Energy: 1.0965785274676152 Energy: 0.8882241002347835 Energy: 1.1136180823510453 Energy: 1.0863236864247339 Energy: 1.113618082349744 Energy: 0.9328619033601057 Energy: 1.1276085620341583 Energy: 0.8910340750433027 Energy: 1.1276085620335075 Energy: 0.8796961090609704 Energy: 0.9868403597452942 Energy: 0.9075264758260122 Energy: 0.986840359743342 Energy: 0.8927636160825188 Energy: 1.0937403807909862 Energy: 0.9000763387037032 Energy: 1.0937403807896848 Energy: 0.8866263925370286 Energy: 1.2384595061008181 Energy: 0.9447204953631774 Energy: 1.238459506101469 Energy: 1.1926582136526134 Energy: 0.8989087083248435 Energy: 0.8853850093362197 Energy: 0.898908708129048 minimum gb energy = 0.875144359329964 eV minimum distance = 2.30337082356233 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 0.8002610820534258 Energy: 0.8012493942673677 Energy: 1.0756594013577252 Energy: 0.8012493942673677 Energy: 0.801650358073028 Energy: 0.8225052680183782 Energy: 0.8119848839069291 Energy: 0.8225052680183782 Energy: 0.8102446692892777 Energy: 1.208329622421117 Energy: 1.4725299106709062 Energy: 1.208329622421117 Energy: 0.8629877809524528 Energy: 0.822200896701542 Energy: 0.8121240852072442 Energy: 0.822200896701542 Energy: 0.8097646705435521 Energy: 1.149449278400788 Energy: 1.4541988463063047 Energy: 1.149449278400788 Energy: 0.8097598679746019 Energy: 0.8008194744605939 Energy: 0.8029089949992955 Energy: 0.8008194744605939 Energy: 0.8104657975994598 Energy: 0.9428873908050105 Energy: 0.8004891269160211 Energy: 0.9428873908050105 Energy: 0.8305134301681533 Energy: 1.2076294137240338 Energy: 0.8119855627126746 Energy: 1.2076294137223313 Energy: 0.8110407058208308 Energy: 0.8861942297501062 Energy: 0.8031822387340758 Energy: 0.8861942297501062 Energy: 0.8216609929839288 Energy: 1.1492610993742538 Energy: 0.8104664251976479 Energy: 1.1492610993725512 Energy: 0.7999285012134046 Energy: 0.8228379301667131 Energy: 0.8096005396341435 Energy: 0.8228379301667131 Energy: 0.8001293429299865 Energy: 0.9439873308026389 Energy: 0.8120698790436833 Energy: 0.9439873308026389 Energy: 0.8111545955371404 Energy: 1.1509251480849247 Energy: 0.8305893117402493 Energy: 1.1509251480866274 Energy: 0.8111276163850468 Energy: 0.88357222251961 Energy: 0.8097363061705694 Energy: 0.88357222251961 Energy: 0.8033765330913001 Energy: 1.150844432580476 Energy: 0.8110840941787592 Energy: 1.150844432580476 minimum gb energy = 0.7999285012134046 eV minimum distance = 2.29304030138065 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 0.799356781548339 Energy: 1.0126673890486162 Energy: 1.1376639412865044 Energy: 1.0126673890493298 Energy: 1.2656548446835543 Energy: 1.024893976860121 Energy: 0.7741529149728752 Energy: 1.0248939768579803 Energy: 0.778386291364912 Energy: 1.0348138026980276 Energy: 0.9705118397162142 Energy: 1.034813802698741 Energy: 0.774254570985631 Energy: 1.0246892569737427 Energy: 0.7720887636324325 Energy: 1.0246892569823056 Energy: 0.7852065009894001 Energy: 1.1980555065103262 Energy: 0.8217608636540854 Energy: 1.1980555065117533 Energy: 0.7743627371504599 Energy: 0.9095069427627372 Energy: 0.7834076923048685 Energy: 0.9095069427620235 Energy: 0.7829463683016068 Energy: 1.0195386146084982 Energy: 1.0508285892604665 Energy: 1.0195386146042167 Energy: 0.7758976776099589 Energy: 1.0457301921653612 Energy: 0.7836518788451549 Energy: 1.0457301921639341 Energy: 0.7829487111093988 Energy: 0.9564404252001119 Energy: 0.9850206139296042 Energy: 0.956440425201539 Energy: 0.9509619355358874 Energy: 1.2460667594986083 Energy: 0.7719816398711534 Energy: 1.2460667594986083 Energy: 0.7844661037394752 Energy: 1.0149251058447313 Energy: 0.7706435018250829 Energy: 1.014925105841877 Energy: 1.0557682446998817 Energy: 1.2295786600883627 Energy: 0.7779022436803945 Energy: 1.2295786600883627 Energy: 0.8076344788755586 Energy: 0.7869858625149002 Energy: 0.7967119698698509 Energy: 0.7869858625091916 Energy: 1.0278203680932645 Energy: 0.9658959847145107 Energy: 0.7779352850245908 Energy: 0.9658959847137969 Energy: 0.7850736666023707 Energy: 0.9168768680897555 Energy: 0.7878814383893074 Energy: 0.9168768680954642 Energy: 0.7728595924277252 Energy: 0.9660452651884958 Energy: 0.7793299546334942 Energy: 0.9660452651877823 Energy: 0.7824078543018905 Energy: 1.1249447047971588 Energy: 0.779213909458795 Energy: 1.124944704796445 Energy: 0.8043252189707817 Energy: 0.8369577058593226 Energy: 0.7919627901049411 Energy: 0.8369577058614632 Energy: 0.7833297298460613 Energy: 1.0971565364623754 Energy: 0.7922508213965226 Energy: 1.0971565364638027 Energy: 0.7830430365153525 Energy: 1.0969902412537935 Energy: 0.7926956452819556 Energy: 1.096990241254507 Energy: 0.8044887300046961 Energy: 0.8368976097965265 Energy: 0.7922209015400136 Energy: 0.8368976097993808 Energy: 0.7826982741767219 Energy: 1.124818729814299 Energy: 0.7792068633228447 Energy: 1.12481872981644 Energy: 0.7729304924874965 Energy: 0.9660926647142865 Energy: 0.7792430101588481 Energy: 0.9660926647178543 Energy: 0.7845620684453606 Energy: 0.9167124903814142 Energy: 0.7793536461572248 Energy: 0.9167124903821279 Energy: 1.0494088959763306 Energy: 0.966104649003167 Energy: 0.77784930654222 Energy: 0.966104649003167 Energy: 0.8078925179679664 Energy: 0.7866297579682495 Energy: 0.7855111295483945 Energy: 0.7866297579661088 Energy: 1.0553559974877926 Energy: 1.2298049208427966 Energy: 0.7780287670320053 Energy: 1.2298049208427966 Energy: 0.7834605251752409 Energy: 1.014774827581649 Energy: 0.7700767044691307 Energy: 1.014774827581649 Energy: 0.9512778783553595 Energy: 1.2460982385236543 Energy: 0.7719300929172752 Energy: 1.2460982385257953 Energy: 0.7860499623795697 Energy: 0.9563936573949468 Energy: 0.9020462294767636 Energy: 0.9563936574092184 Energy: 0.7753054347134337 Energy: 1.046116966415897 Energy: 0.7836175368726502 Energy: 1.0461169664180376 Energy: 0.7826058904714449 Energy: 1.0189670458635003 Energy: 1.1360192268651337 Energy: 1.018967045860646 Energy: 0.7745728855539443 Energy: 0.9091763070370881 Energy: 0.7836809503867744 Energy: 0.9091763070385153 Energy: 0.7847499548781612 Energy: 1.2348299285298787 Energy: 1.0508005379617797 Energy: 1.2348299285305926 Energy: 0.77389552146841 Energy: 1.0259075534612627 Energy: 0.7720943045921851 Energy: 1.0259075534619762 minimum gb energy = 0.7700767044691307 eV minimum distance = 2.28378861921437 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 0.7331754460038066 Energy: 0.7325274154426341 Energy: 0.7151976042197998 Energy: 0.7325274154426341 Energy: 1.1836732977185183 Energy: 0.9250256469937339 Energy: 0.7066291860334146 Energy: 0.9250256469925062 Energy: 0.7135566794440132 Energy: 1.1534319195283442 Energy: 1.3550460814414864 Energy: 1.1534319195283442 Energy: 0.7017628822651099 Energy: 0.9251167280158521 Energy: 0.7066093551671403 Energy: 0.9251167280158521 Energy: 0.705580242969407 Energy: 0.9252905420127455 Energy: 0.7009182472626531 Energy: 0.9252905420127455 Energy: 0.7034033075240556 Energy: 0.9250347691391405 Energy: 0.7029389464125421 Energy: 0.9250347691391405 Energy: 0.7229446767099821 Energy: 1.1388659876183644 Energy: 0.9418769523724223 Energy: 1.1388659876183644 Energy: 0.705516489821415 Energy: 0.7332212757952322 Energy: 0.7340812567503915 Energy: 0.7332212757952322 Energy: 0.705910396176055 Energy: 0.9254963976655022 Energy: 0.9408823137625639 Energy: 0.9254963976655022 Energy: 1.0167262895019127 Energy: 1.153446934660855 Energy: 0.702863518465689 Energy: 1.153446934660855 Energy: 0.7228629972712478 Energy: 1.1390592786362683 Energy: 0.700643260866503 Energy: 1.139059278637496 Energy: 0.954243305058339 Energy: 1.0278307030668128 Energy: 0.706765928500901 Energy: 1.027830703065585 Energy: 0.7062475203090419 Energy: 1.027482742414521 Energy: 0.7030873539279636 Energy: 1.027482742414521 Energy: 0.9414205423420244 Energy: 1.1926619133820497 Energy: 0.7069908435209379 Energy: 1.1926619133808218 Energy: 0.7322310463528241 Energy: 0.7660269470027409 Energy: 0.7053167453783157 Energy: 0.7660269470027409 Energy: 0.73283171330619 Energy: 1.0275804671997426 Energy: 0.7067518150256014 Energy: 1.0275804671997426 Energy: 0.7003283154127644 Energy: 1.1549614430448916 Energy: 0.7198554457374129 Energy: 1.1549614430448916 Energy: 0.7007698499683106 Energy: 1.2465158783706984 Energy: 0.7063658228280701 Energy: 1.2465158783706984 Energy: 0.7068002742658125 Energy: 1.028649946621574 Energy: 0.7061367288892417 Energy: 1.0286499466228014 Energy: 0.7059006126541093 Energy: 1.0318359650730022 Energy: 0.7005529302326265 Energy: 1.0318359650730022 minimum gb energy = 0.7003283154127644 eV minimum distance = 2.29811037016407 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 0.6789193495350387 Energy: 0.9394032870921128 Energy: 0.6502284175282682 Energy: 0.9394032870911542 Energy: 1.1621783523631146 Energy: 0.9484665978188848 Energy: 0.6459738832603509 Energy: 0.9484665978198434 Energy: 0.6422939978171401 Energy: 0.6428747574725897 Energy: 1.2393094893856478 Energy: 0.6428747574716313 Energy: 0.7874542256023236 Energy: 0.9482920002816667 Energy: 0.6460405613233019 Energy: 0.9482920002807081 Energy: 0.6472648532916174 Energy: 0.9483448612762349 Energy: 0.627599263349164 Energy: 0.9483448612771934 Energy: 0.6275083840873572 Energy: 0.9481102944271478 Energy: 0.6459671187564723 Energy: 0.9481102944261892 Energy: 0.6476263979421258 Energy: 0.7914594564895032 Energy: 0.8382161581349186 Energy: 0.7914594564904618 Energy: 0.630252471461803 Energy: 0.8197147640291733 Energy: 0.6435092787332252 Energy: 0.8197147640291733 Energy: 0.6476159781754298 Energy: 0.9485707614891701 Energy: 1.0487992903152392 Energy: 0.9485707614882113 Energy: 0.6318420280422709 Energy: 0.9395169167223733 Energy: 0.6802570012844615 Energy: 0.9395169167223733 Energy: 0.6476526986165851 Energy: 0.7913789193380563 Energy: 0.9438438675321352 Energy: 0.7913789193370976 Energy: 0.8836924761109691 Energy: 0.9954893717591368 Energy: 0.6437991882417111 Energy: 0.9954893717591368 Energy: 0.6471116713802387 Energy: 0.9486050008164263 Energy: 0.7867761534165615 Energy: 0.9486050008164263 Energy: 0.8553969659225493 Energy: 0.9790619904112453 Energy: 0.6457451731886449 Energy: 0.9790619904112453 Energy: 0.6478121348360831 Energy: 0.7906968166983434 Energy: 0.6274932066682036 Energy: 0.7906968166983434 Energy: 0.8388021319451048 Energy: 1.1174116769583347 Energy: 0.649811194738856 Energy: 1.1174116769592932 Energy: 0.6476340238777104 Energy: 0.819976341648372 Energy: 0.630345689380596 Energy: 0.819976341648372 Energy: 0.8036905434837943 Energy: 0.9981187011566991 Energy: 0.6460377516389225 Energy: 0.9981187011566991 Energy: 0.6830812126178644 Energy: 1.033252745006224 Energy: 0.6311884943784842 Energy: 1.033252745006224 Energy: 0.9407011418729407 Energy: 1.0880832708088002 Energy: 0.648815287486632 Energy: 1.0880832708088002 Energy: 0.6475122359691509 Energy: 0.998716632248839 Energy: 0.6355284775499956 Energy: 0.998716632248839 Energy: 0.6422384187379898 Energy: 0.9488410572004581 Energy: 0.6480479638433506 Energy: 0.9488410572014169 Energy: 0.6477641772385669 Energy: 1.0212255934849424 Energy: 0.8565380559698144 Energy: 1.0212255934849424 Energy: 0.6275511982123457 Energy: 1.0850746059035001 Energy: 0.6487106024148784 Energy: 1.085074605904459 Energy: 0.6458356833671538 Energy: 1.1168532412656789 Energy: 0.8379607587543682 Energy: 1.11685324126472 Energy: 0.6324139405076938 Energy: 0.8198642957564782 Energy: 0.6484941237490888 Energy: 0.8198642957555196 minimum gb energy = 0.6274932066682036 eV minimum distance = 2.30149764966012 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 0.8307203050186703 Energy: 0.83212488427028 Energy: 0.8025727879012884 Energy: 0.832124884271066 Energy: 1.1378632667659514 Energy: 0.8258338420292419 Energy: 0.5817128368828024 Energy: 0.8258338420292419 Energy: 0.5984594218034928 Energy: 0.8200991063399145 Energy: 1.1564806625697046 Energy: 0.8200991063391284 Energy: 0.8217350934489156 Energy: 0.8258181195043762 Energy: 0.5816095479292891 Energy: 0.8258181195043762 Energy: 0.5780175409537236 Energy: 0.8436304834504547 Energy: 0.6150464786037787 Energy: 0.8436304834425952 Energy: 0.6987616788644405 Energy: 0.8255170235644942 Energy: 0.5817107811901578 Energy: 0.8255170235637084 Energy: 0.5810836040380088 Energy: 0.8251383635409509 Energy: 0.7503851130987876 Energy: 0.825138363539379 Energy: 0.5704800782671393 Energy: 0.7150901595849003 Energy: 0.5787594371380375 Energy: 0.7150901595864722 Energy: 0.5841164186480418 Energy: 0.9709242228172371 Energy: 0.8964166807192285 Energy: 0.9709242228164512 Energy: 0.5722085692733772 Energy: 0.8205158267428764 Energy: 0.5993051445941195 Energy: 0.8205158267420904 Energy: 0.5810805927221042 Energy: 0.8273600508198735 Energy: 0.9808124966209932 Energy: 0.8273600508238035 Energy: 0.5732538921353755 Energy: 0.8333219097269432 Energy: 0.831434007196697 Energy: 0.8333219097269432 Energy: 0.5838283410960314 Energy: 0.9694580307115369 Energy: 0.980919089593718 Energy: 0.9694580307131089 Energy: 0.7858157318939512 Energy: 1.1001186007303108 Energy: 0.5992029930867745 Energy: 1.1001186007303108 Energy: 0.5810577943172878 Energy: 0.8264417401876352 Energy: 0.8228546981682052 Energy: 0.8264417401876352 Energy: 0.7656378012016487 Energy: 0.8603315538900386 Energy: 0.5786960280823481 Energy: 0.8603315538884666 Energy: 0.5837567460281805 Energy: 0.9694222424670049 Energy: 0.6984008543801459 Energy: 0.969422242468577 Energy: 0.7501298341942589 Energy: 1.1349244893084378 Energy: 0.5816748619254277 Energy: 1.1349244893076518 Energy: 0.5810736172496357 Energy: 0.7159561587781034 Energy: 0.570674857681026 Energy: 0.7159561587773174 Energy: 0.7459970773251754 Energy: 0.9190799868406409 Energy: 0.5861657134436339 Energy: 0.919079986837497 Energy: 0.6013461789869504 Energy: 1.0442131698283912 Energy: 0.5760441995765948 Energy: 1.0442131698283912 Energy: 0.9814804722748733 Energy: 1.0977976492857964 Energy: 0.5819477078201759 Energy: 1.0977976492857964 Energy: 0.8338473158499597 Energy: 0.8320984028355242 Energy: 0.5731192387509204 Energy: 0.8320984028370959 Energy: 0.8338688391052951 Energy: 0.9681613796125929 Energy: 0.5834780565866944 Energy: 0.9681613796125929 Energy: 0.6014165107985988 Energy: 1.044424981331682 Energy: 0.5770752876563456 Energy: 1.044424981330896 Energy: 0.819818213393309 Energy: 1.0965826407429193 Energy: 0.5819106008046123 Energy: 1.0965826407437052 Energy: 0.5810947103772581 Energy: 0.8685588531432453 Energy: 0.7659511239806246 Energy: 0.8685588531432453 Energy: 0.5787591624259096 Energy: 0.9689276749093412 Energy: 0.5836264754447774 Energy: 0.9689276749093412 Energy: 0.584056521416022 Energy: 1.0595888739706907 Energy: 0.7501282008227262 Energy: 1.0595888739691186 Energy: 0.5711551109912196 Energy: 0.9957028802156944 Energy: 0.5844777357259319 Energy: 0.9957028802164803 Energy: 0.5859286764564491 Energy: 0.9182694975925341 Energy: 0.7457616982604574 Energy: 0.918269497591748 Energy: 0.5740823231365958 Energy: 1.0434984176742947 Energy: 0.6047310210093387 Energy: 1.0434984176750806 minimum gb energy = 0.5704800782671393 eV minimum distance = 2.26371917138343 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 0.7541161527862504 Energy: 0.9840920595119828 Energy: 0.8305482986831385 Energy: 0.9840920595113168 Energy: 1.1156921133752435 Energy: 0.868006723519462 Energy: 0.5442870909725172 Energy: 0.868006723519462 Energy: 0.5617054671157733 Energy: 0.742154689732275 Energy: 0.6751800847841585 Energy: 0.7421546897229537 Energy: 1.0851418538666406 Energy: 0.871386863635466 Energy: 0.5441382727758247 Energy: 0.8713868636367976 Energy: 0.5418726254616683 Energy: 1.0461174644754376 Energy: 0.5374307786283135 Energy: 1.0461174644747717 Energy: 0.7349428781173603 Energy: 0.8675156703880897 Energy: 0.5444223579097313 Energy: 0.8675156703834289 Energy: 0.5437554606339786 Energy: 0.7479826313478637 Energy: 0.6817504473093414 Energy: 0.7479826313498612 Energy: 0.6311136761124814 Energy: 0.7475931820114093 Energy: 0.5443110066934048 Energy: 0.7475931820120751 Energy: 0.5456760867723334 Energy: 0.9875644508607702 Energy: 0.8334472659157954 Energy: 0.9875644508607702 Energy: 0.5259490995011247 Energy: 1.0326050284211747 Energy: 0.5424154976018267 Energy: 1.0326050284211747 Energy: 0.5438575140790305 Energy: 0.8636751298240734 Energy: 0.9267135355211275 Energy: 0.8636751298234076 Energy: 0.5276540686516806 Energy: 0.7403078019841803 Energy: 0.562385577421265 Energy: 0.7403078019828488 Energy: 0.5456989592233344 Energy: 0.9896591764878211 Energy: 0.9941359190558032 Energy: 0.9896591764878211 Energy: 0.5276925662650869 Energy: 0.983661812154007 Energy: 0.7543000490745109 Energy: 0.9836618121526755 Energy: 0.5438008123876666 Energy: 0.8671804984313851 Energy: 1.0136469928580516 Energy: 0.8671804984320509 Energy: 0.7107533724904048 Energy: 0.7419787773642385 Energy: 0.5621013828515129 Energy: 0.7419787773642385 Energy: 0.5454543361347187 Energy: 0.9892999815552871 Energy: 0.8717541322607674 Energy: 0.9892999815559529 Energy: 0.694364047564203 Energy: 1.0447388391426726 Energy: 0.5424145195700262 Energy: 1.0447388391420067 Energy: 0.5438108766783526 Energy: 0.8669010526299566 Energy: 0.736869157601851 Energy: 0.8669010526312884 Energy: 0.6801224733370541 Energy: 0.7651207365323474 Energy: 0.54423837454505 Energy: 0.7651207365343448 Energy: 0.5454917548650602 Energy: 0.8832938210303513 Energy: 0.6302828953136808 Energy: 0.8832938210323488 Energy: 0.6787957623351782 Energy: 0.9842082577982536 Energy: 0.5477458976395998 Energy: 0.9842082577982536 Energy: 0.543824232621487 Energy: 0.9421547463104615 Energy: 0.5255437373858873 Energy: 0.9421547463091299 Energy: 0.9223577454431424 Energy: 0.863481868897932 Energy: 0.5443957476807242 Energy: 0.8634818688992636 Energy: 0.5636085279040923 Energy: 1.0490391524622824 Energy: 0.5284575712200731 Energy: 1.0490391524622824 Energy: 0.8961794131360504 Energy: 0.9862691794999148 Energy: 0.5476678193302522 Energy: 0.9862691794999148 Energy: 0.7559101106449281 Energy: 0.9774095817858158 Energy: 0.5464000820752573 Energy: 0.9774095817858158 Energy: 1.0129322296766616 Energy: 0.8677054777837658 Energy: 0.5441923882475964 Energy: 0.8677054777844316 Energy: 0.5634983292990133 Energy: 1.058935740626466 Energy: 0.5316031501038104 Energy: 1.058935740626466 Energy: 0.7401624336064037 Energy: 0.9862583980219715 Energy: 0.5479852317073675 Energy: 0.9862583980226373 Energy: 0.5439201446578272 Energy: 1.0420878381765462 Energy: 0.7082877102136225 Energy: 1.0420878381765462 Energy: 0.7380581939699836 Energy: 0.8672179849699757 Energy: 0.5441733493247622 Energy: 0.8672179849706415 Energy: 0.5456698912210224 Energy: 1.0374400594475195 Energy: 0.6800354763849435 Energy: 1.0374400594481852 Energy: 0.531299163634166 Energy: 0.8832100970702245 Energy: 0.5480649499617745 Energy: 0.8832100970695586 Energy: 0.5402896776761429 Energy: 0.9834081142807808 Energy: 0.6786994521164865 Energy: 0.9834081142794491 Energy: 0.5255851599583959 Energy: 0.9401972112055788 Energy: 0.5460471538522352 Energy: 0.940197211204913 Energy: 0.5455616212595097 Energy: 1.0024028987783544 Energy: 0.9196438504148134 Energy: 1.0024028987790203 minimum gb energy = 0.5255437373858873 eV minimum distance = 2.31179607426933 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 0.7069501668373802 Energy: 0.9423152312538786 Energy: 0.5851022335451259 Energy: 0.9423152312533012 Energy: 1.0884376438032617 Energy: 0.8129190322749194 Energy: 0.4964322053968478 Energy: 0.8129190322743419 Energy: 0.6783215593303552 Energy: 0.6786268329845376 Energy: 0.5931210756311005 Energy: 0.6786268329851151 Energy: 1.0520168377117123 Energy: 0.8125217249380089 Energy: 0.49652192268098927 Energy: 0.8125217249374315 Energy: 0.5205873984293948 Energy: 0.6590422285503234 Energy: 0.4708310322410376 Energy: 0.6590422285503234 Energy: 0.7709619964891686 Energy: 0.8247959934893845 Energy: 0.49642464141802567 Energy: 0.8247959934905393 Energy: 0.49416703102769255 Energy: 0.6921999199645829 Energy: 0.6052064417612825 Energy: 0.6921999199645829 Energy: 0.651087047732059 Energy: 0.8125796177637225 Energy: 0.4965202465069278 Energy: 0.812579617763145 Energy: 0.4959017216423464 Energy: 0.6696673685218466 Energy: 0.7276880401346694 Energy: 0.6696673685206916 Energy: 0.5606554032212662 Energy: 0.6922410872762916 Energy: 0.49454444933111835 Energy: 0.6922410872768691 Energy: 0.497468035366302 Energy: 0.8003742539541727 Energy: 0.8115251026229608 Energy: 0.8003742539547501 Energy: 0.4709115635430267 Energy: 0.9576656986644831 Energy: 0.5211513260453445 Energy: 0.9576656986644831 Energy: 0.49604943978078475 Energy: 0.6685432027969215 Energy: 0.8936859509905334 Energy: 0.668543202796344 Energy: 0.47308373024414985 Energy: 0.678719888306725 Energy: 0.6788876391807903 Energy: 0.678719888306725 Energy: 0.4968916445848987 Energy: 0.812059279554704 Energy: 0.9836573779057762 Energy: 0.812059279554704 Energy: 0.47245794605769453 Energy: 0.9425071487118412 Energy: 0.7075009392280057 Energy: 0.9425071487112898 Energy: 0.4959904294394987 Energy: 0.6682741818292748 Energy: 0.9830932200120635 Energy: 0.6682741818292748 Energy: 0.6228898013273763 Energy: 0.6801471372247778 Energy: 0.6789270199873834 Energy: 0.6801471372311299 Energy: 0.4977583649806705 Energy: 0.8120723535597341 Energy: 0.8893231155191457 Energy: 0.8120723535591565 Energy: 0.6066936382986313 Energy: 0.9858254019301855 Energy: 0.521247330091599 Energy: 0.9858254019301855 Energy: 0.49591926919477813 Energy: 0.6678208722764977 Energy: 0.7709906941406863 Energy: 0.6678208722753427 Energy: 0.6066910781993693 Energy: 0.6993495682013589 Energy: 0.49460893406426815 Energy: 0.6993495682007813 Energy: 0.49737398743695915 Energy: 0.8039534061437137 Energy: 0.6506257951878713 Energy: 0.8039534061437137 Energy: 0.6086204050131097 Energy: 0.9581777881167575 Energy: 0.4964742499289288 Energy: 0.9581777881167575 Energy: 0.4960427708285481 Energy: 0.6001669815517534 Energy: 0.5607553051219187 Energy: 0.6001669815517534 Energy: 0.8117153433458316 Energy: 0.7999910023624596 Energy: 0.49752554794709775 Energy: 0.7999910023624596 Energy: 0.5223880744877827 Energy: 0.8798266119672361 Energy: 0.4720312684871768 Energy: 0.8798266119672361 Energy: 0.8126665030705024 Energy: 0.9492559386852358 Energy: 0.49634338298576586 Energy: 0.9492559386858134 Energy: 0.6801935547170054 Energy: 0.6796741983399183 Energy: 0.472885308727649 Energy: 0.6796741983393408 Energy: 0.9829057565757924 Energy: 0.8048183783527294 Energy: 0.49837943329618994 Energy: 0.8048183783533069 Energy: 0.7090447553905519 Energy: 0.9177271047742628 Energy: 0.4723563709919756 Energy: 0.9177271047742628 Energy: 0.9055341912111952 Energy: 0.9495468394286136 Energy: 0.49646324712106643 Energy: 0.949546839429191 Energy: 0.680306450792895 Energy: 0.6795698486369673 Energy: 0.47900244706227924 Energy: 0.6795698486375448 Energy: 0.8894053888716259 Energy: 0.8047601759210377 Energy: 0.4978291668213323 Energy: 0.8047601759216151 Energy: 0.5224268423150944 Energy: 0.9641393418503247 Energy: 0.606995080875869 Energy: 0.9641393418509022 Energy: 0.6596249128529231 Energy: 0.9483672247096148 Energy: 0.49634673536102947 Energy: 0.9483672247101922 Energy: 0.49596322774757834 Energy: 0.6991073745970713 Energy: 0.605955209300764 Energy: 0.6991073745970713 Energy: 0.6502483348725365 Energy: 0.8043497064306021 Energy: 0.49831820981546104 Energy: 0.8043497064306021 Energy: 0.49756642308786514 Energy: 0.9279465662674584 Energy: 0.6081535803735152 Energy: 0.9279465662686134 Energy: 0.4770655175896826 Energy: 0.839596303861986 Energy: 0.49756829198268726 Energy: 0.8395963038614086 Energy: 0.4959645229073068 Energy: 0.7540291936677512 Energy: 0.8117253885626572 Energy: 0.754029193656202 Energy: 0.4708327215932724 Energy: 0.8660587400144053 Energy: 0.5248370370974663 Energy: 0.8660587400144053 Energy: 0.4978650779541656 Energy: 0.9257757523375476 Energy: 0.812277828727141 Energy: 0.9257757523375476 minimum gb energy = 0.4708310322410376 eV minimum distance = 2.27201268702894 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.015499874087881548 Energy: 0.016166642166765444 Energy: 0.8071458770809465 Energy: 0.016166642167184702 Energy: 0.8064063095202876 Energy: 0.25588572206792465 Energy: 0.2554448111562355 Energy: 0.2558857220683685 Energy: 0.015499874087881548 Energy: 0.016166642166765444 Energy: 0.8071247000364681 Energy: 0.016166642167184702 Energy: 0.8064063095207069 Energy: 0.2558857220683685 Energy: 0.25544481115667944 Energy: 0.25588572206792465 Energy: 0.015499874087881548 Energy: 0.016166642166765444 Energy: 0.807165520446436 Energy: 0.016166642167184702 Energy: 0.8064063095202876 Energy: 0.2558857220683685 Energy: 0.25544481115667944 Energy: 0.2558857220683685 minimum gb energy = 0.015499874087881548 eV minimum distance = 2.5425402604374 Angstroms sigma value = 1