Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_001 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.613315641880036 cohesive_energy=3.5402784385667436 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 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: 0.016780118502148843 Energy: 1.1689188627767675 Energy: 0.7122309167735229 Energy: 1.168830366419381 Energy: 0.016780118501636247 Energy: 1.1689188627769955 Energy: 1.0376314664472055 Energy: 0.42672031950963685 Energy: 0.01703288157154867 Energy: 0.24074754017003816 Energy: 0.01705050296902661 Energy: 0.42672031950912426 Energy: 0.017032881571804968 Energy: 0.24074754016981031 Energy: 0.016780118502376665 Energy: 1.1689188627767675 Energy: 0.7122309167732666 Energy: 1.168830366419381 Energy: 0.01678011850189254 Energy: 1.1689188627767675 Energy: 1.0376314664472055 Energy: 0.42672031950938055 Energy: 0.01703288157129237 Energy: 0.24074754017003816 Energy: 0.017050502968770313 Energy: 0.42672031950912426 Energy: 0.017032881572317565 Energy: 0.24074754016955402 Energy: 0.016780118502148843 Energy: 1.1689188627767675 Energy: 1.0376314664472055 Energy: 1.168830366419609 Energy: 0.016780118501636247 Energy: 1.1689188627765112 Energy: 1.0376314664469493 Energy: 0.42672031950938055 Energy: 0.01703288157129237 Energy: 0.24074754017029446 Energy: 0.01705050296902661 Energy: 0.42672031950912426 Energy: 0.017032881571804968 Energy: 0.24074754016955402 minimum gb energy = 0.016780118501636247 eV minimum distance = 2.53338696598952 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.1988317544269362 Energy: 1.1916098227163652 Energy: 1.2188460968708839 Energy: 1.2002648060900951 Energy: 1.1988317544269362 Energy: 1.1916098227194267 Energy: 1.2188460968739454 Energy: 1.099700524300501 Energy: 1.1314811195025414 Energy: 1.137563981167645 Energy: 1.1333224078766024 Energy: 1.0997005242974394 Energy: 1.1314811195025414 Energy: 1.1375639811645837 Energy: 1.0679925848279552 Energy: 1.1236557801366294 Energy: 1.2265531163603673 Energy: 1.0984082022822927 Energy: 1.0679925848279552 Energy: 1.1236557801366294 Energy: 1.2265531163634291 Energy: 1.1586387971801675 Energy: 1.1394980429626693 Energy: 1.1939236316222737 Energy: 1.132437614126239 Energy: 1.1586387971801675 Energy: 1.139498042965731 Energy: 1.193923631619212 Energy: 1.0738580068808479 Energy: 1.07356438293865 Energy: 1.2643221718897575 Energy: 1.1153489035331585 Energy: 1.0738580068808479 Energy: 1.07356438293865 Energy: 1.264322171886696 Energy: 1.1153724712757127 Energy: 1.1309088625349455 Energy: 1.2120559530568247 Energy: 1.1336996006676006 Energy: 1.1153724712757127 Energy: 1.1309088625349455 Energy: 1.2120559530598864 Energy: 1.082822560936814 Energy: 1.1121487960809777 Energy: 1.29740450205743 Energy: 1.1552860825768445 Energy: 1.0828225609337527 Energy: 1.1121487960809777 Energy: 1.2499126737939703 Energy: 1.0761308064448927 Energy: 1.0785151079957842 Energy: 1.2826270811800775 Energy: 1.0714473300015914 Energy: 1.0761308064479542 Energy: 1.0785151079957842 Energy: 1.2826270811770157 Energy: 1.0617439006542682 Energy: 1.0965828942202303 Energy: 1.3279820690798871 Energy: 1.08002078715976 Energy: 1.0617439006542682 Energy: 1.096582894223292 Energy: 1.3279820690829487 Energy: 1.0721263665786407 Energy: 1.139059313210077 Energy: 1.2636482285817696 Energy: 1.0989574383265261 Energy: 1.0721263665755791 Energy: 1.139059313210077 Energy: 1.2636482285848314 Energy: 1.0790178550381808 Energy: 1.1280911988383708 Energy: 1.1513845875745126 Energy: 1.1302550890691596 Energy: 1.0790178550381808 Energy: 1.1280911988383708 Energy: 1.1513845875714512 Energy: 1.1085283645889144 Energy: 1.1766138642693256 Energy: 1.19220461662927 Energy: 1.0977594029551838 Energy: 1.1085283645858526 Energy: 1.1766138642693256 Energy: 1.19220461662927 Energy: 1.2180481127096852 Energy: 1.1923604524440201 Energy: 1.2301961642284431 Energy: 1.1253519323711332 Energy: 1.2180481127066236 Energy: 1.1923604524409583 Energy: 1.2301961642284431 Energy: 1.105944957918601 Energy: 1.1073961080243715 Energy: 1.1629317350391903 Energy: 1.0910150853516267 Energy: 1.105944957918601 Energy: 1.1073961080213097 Energy: 1.1629317350391903 Energy: 1.1106726744779898 Energy: 1.0811960524877826 Energy: 1.1962312275474294 Energy: 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1.080499841229162 Energy: 1.1800706511745296 Energy: 1.0875143242220457 Energy: 1.1216637969373018 Energy: 1.2049014814669858 Energy: 1.0993441987197075 Energy: 1.0875143242220457 Energy: 1.1216637969403633 Energy: 1.2049014814669858 Energy: 1.076368660207972 Energy: 1.081767610006318 Energy: 1.2877118681782849 Energy: 1.096896154169042 Energy: 1.076368660207972 Energy: 1.0817676100093796 Energy: 1.2877118681782849 Energy: 1.074094245652681 Energy: 1.0828742491851029 Energy: 1.296376905893542 Energy: 1.0838191942570312 Energy: 1.0740942456465579 Energy: 1.0828742491851029 Energy: 1.2963769058904806 Energy: 1.1126487169944719 Energy: 1.1350016233066578 Energy: 1.1871445481050573 Energy: 1.1085744188255697 Energy: 1.11264871699141 Energy: 1.135001623303596 Energy: 1.1871445481050573 Energy: 1.066559038870633 Energy: 1.1345626868771606 Energy: 1.2140863187564699 Energy: 1.120277656486961 Energy: 1.066559038870633 Energy: 1.1345626868771606 Energy: 1.2140863187595314 Energy: 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1.3431965132967956 Energy: 1.1801569067518987 Energy: 1.0837050409731956 Energy: 1.1237573847337476 Energy: 1.3431965132998573 Energy: 1.1099649504793518 Energy: 1.1126444240993751 Energy: 1.1306738178185085 Energy: 1.1351552221420782 Energy: 1.1099649504793518 Energy: 1.1126444240993751 Energy: 1.1306738178185085 Energy: 1.082183851903118 Energy: 1.1257496304114842 Energy: 1.2042979331014447 Energy: 1.0851043299308043 Energy: 1.082183851903118 Energy: 1.1257496304114842 Energy: 1.2042979331075678 Energy: 1.09211353181662 Energy: 1.1097474654041244 Energy: 1.2590166691176925 Energy: 1.0651018146376963 Energy: 1.0921135318135584 Energy: 1.109747465407186 Energy: 1.2590166691146307 Energy: 1.070857342835042 Energy: 1.0773831010127175 Energy: 1.1402886908355954 Energy: 1.1177286658889625 Energy: 1.070857342835042 Energy: 1.077383101015779 Energy: 1.1402886908355954 Energy: 1.0754912453221366 Energy: 1.1386917662676246 Energy: 1.2469395831101768 Energy: 1.096424080960584 Energy: 1.0754912453221366 Energy: 1.1386917662676246 Energy: 1.2469395831101768 Energy: 1.0672220036292261 Energy: 1.1142132982177875 Energy: 1.2670493759640187 Energy: 1.083739693985169 Energy: 1.0672220036261646 Energy: 1.1142132982147257 Energy: 1.2670493759640187 Energy: 1.0923125851465778 Energy: 1.0865783598356407 Energy: 1.217972011489896 Energy: 1.08678840064581 Energy: 1.0923125851465778 Energy: 1.0865783598386467 Energy: 1.2179720114929575 Energy: 1.1523085463130882 Energy: 1.188998567610572 Energy: 1.2139413414754245 Energy: 1.1000249250835457 Energy: 1.1523085463100267 Energy: 1.188998567610572 Energy: 1.2139413414754245 Energy: 1.1111894813795034 Energy: 1.198769948165563 Energy: 1.189922519172798 Energy: 1.131883840613942 Energy: 1.1111894813795034 Energy: 1.198769948165563 Energy: 1.189922519172798 Energy: 1.1008784422659394 Energy: 1.1731197357262748 Energy: 1.1689634016322374 Energy: 1.1385656851223016 Energy: 1.1008784422690012 Energy: 1.1731197357262748 Energy: 1.1689634016291757 Energy: 1.1093666940888023 Energy: 1.1193518950314658 Energy: 1.1702732875239081 Energy: 1.1195327118169893 Energy: 1.1093666940888023 Energy: 1.1193518950314658 Energy: 1.1702732875239081 Energy: 1.217950629633862 Energy: 1.120935754947895 Energy: 1.2406725856717649 Energy: 1.1973339418635243 Energy: 1.217950629633862 Energy: 1.1209357549448333 Energy: 1.2406725856748266 Energy: 1.1130242815228841 Energy: 1.0856964949466568 Energy: 1.2114262249932144 Energy: 1.1154059133081757 Energy: 1.1130242815228841 Energy: 1.0856964949466568 Energy: 1.211426224996276 Energy: 1.058609526410102 Energy: 1.0933452708093543 Energy: 1.2412047984157168 Energy: 1.137891132988354 Energy: 1.058609526410102 Energy: 1.0933452708093543 Energy: 1.2412047984187784 Energy: 1.0745785823765985 Energy: 1.1141587176025776 Energy: 1.2929842549728887 Energy: 1.1717710459780495 Energy: 1.074578582373537 Energy: 1.1141587175995158 Energy: 1.2929842549728887 Energy: 1.0542020252370023 Energy: 1.1221318790073098 Energy: 1.1536870981035552 Energy: 1.0818714520520827 Energy: 1.0542020252339406 Energy: 1.1221318790042483 Energy: 1.1536870981035552 minimum gb energy = 1.0542020252339406 eV minimum distance = 2.2776559855208 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.1214669958304904 Energy: 1.2437391444759616 Energy: 1.2102418629067797 Energy: 1.19413411984373 Energy: 1.1214669958321963 Energy: 1.2437391444759616 Energy: 1.2102418629050107 Energy: 1.0692161100515023 Energy: 1.1839838313729054 Energy: 1.225007718895839 Energy: 1.1162199062719025 Energy: 1.0692161100504283 Energy: 1.1839838313749904 Energy: 1.2250077188968502 Energy: 1.0669493708105127 Energy: 1.1818079365834029 Energy: 1.1718715213351278 Energy: 1.074075836463993 Energy: 1.0669493708119027 Energy: 1.1818079365854883 Energy: 1.1718715213337378 Energy: 1.1068684031477285 Energy: 1.192454886916938 Energy: 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1.1715828541273876 Energy: 1.066171842685284 Energy: 1.076613497318785 Energy: 1.1707684135952428 Energy: 1.0676061770433651 Energy: 1.1098368043117925 Energy: 1.216375061090606 Energy: 1.2059728286248164 Energy: 1.0676061770419751 Energy: 1.1098368043100233 Energy: 1.216375061090606 Energy: 1.1214669958308063 Energy: 1.2437391444763406 Energy: 1.2102418629064005 Energy: 1.1941341198416449 Energy: 1.1214669958332706 Energy: 1.2437391444759616 Energy: 1.2102418629060847 Energy: 1.0692161100511233 Energy: 1.1839838313736006 Energy: 1.22500771889546 Energy: 1.1162199062725975 Energy: 1.0692161100504283 Energy: 1.1839838313746116 Energy: 1.2250077188968502 Energy: 1.0669493708105127 Energy: 1.181807936584098 Energy: 1.1718715213354438 Energy: 1.0740758364643725 Energy: 1.0669493708112077 Energy: 1.1818079365844771 Energy: 1.1718715213326636 Energy: 1.1068684031477285 Energy: 1.192454886916559 Energy: 1.1749048536522815 Energy: 1.1006243377719402 Energy: 1.1068684031494345 Energy: 1.1924548869162428 Energy: 1.1749048536508917 Energy: 1.0996844209350554 Energy: 1.128465379947595 Energy: 1.1761377708825638 Energy: 1.123557041168155 Energy: 1.0996844209326542 Energy: 1.128465379947911 Energy: 1.1761377708843332 Energy: 1.0626304569106992 Energy: 1.1009431233915212 Energy: 1.170674154177541 Energy: 1.1321107967731618 Energy: 1.062630456907919 Energy: 1.1009431233908262 Energy: 1.1495262511428623 Energy: 1.0553709884678533 Energy: 1.1017291061280383 Energy: 1.3337622263681388 Energy: 1.1143828800947508 Energy: 1.0553709884671583 Energy: 1.1017291061256373 Energy: 1.2837221954541196 Energy: 1.0552970246938729 Energy: 1.1657119312351638 Energy: 1.3239901950372854 Energy: 1.098447823317193 Energy: 1.0552970246931779 Energy: 1.165711931237628 Energy: 1.3078604614084175 Energy: 1.0632628228877 Energy: 1.1217938918014723 Energy: 1.1832099645440455 Energy: 1.1034952739301833 Energy: 1.063262822890796 Energy: 1.1217938918007773 Energy: 1.1832099645457517 Energy: 1.0966853317233651 Energy: 1.153847026962732 Energy: 1.159233231710943 Energy: 1.1334297567090112 Energy: 1.0966853317233651 Energy: 1.153847026962732 Energy: 1.159233231711322 Energy: 1.109846101867073 Energy: 1.1033185622386101 Energy: 1.173055208060301 Energy: 1.1674389932974076 Energy: 1.109846101867073 Energy: 1.10331856223722 Energy: 1.17305520806068 Energy: 1.0651447478873144 Energy: 1.076613497318785 Energy: 1.1707684135963166 Energy: 1.1715828541273876 Energy: 1.0651447478866196 Energy: 1.0766134973184056 Energy: 1.1707684135963166 Energy: 1.075965221162483 Energy: 1.1098368043107183 Energy: 1.2163750610902897 Energy: 1.2059728286245004 Energy: 1.0759652211586286 Energy: 1.1098368043100233 Energy: 1.2163750610913007 Energy: 1.0859191360881588 Energy: 1.2437391444752666 Energy: 1.2102418629057055 Energy: 1.1941341198447408 Energy: 1.0859191360884748 Energy: 1.2437391444759616 Energy: 1.2102418629057055 Energy: 1.0692161100508075 Energy: 1.1839838313736006 Energy: 1.225007718895144 Energy: 1.0964354983343196 Energy: 1.0692161100508075 Energy: 1.1839838313749904 Energy: 1.2250077188968502 minimum gb energy = 1.0552970246931779 eV minimum distance = 2.28322011962875 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.2248010786977173 Energy: 1.1077360700821228 Energy: 1.208219978926524 Energy: 1.1069850797452778 Energy: 1.2248010786981187 Energy: 1.107736070082524 Energy: 1.2576418397690055 Energy: 1.1615492325721801 Energy: 1.1513473256047109 Energy: 1.1624862634341364 Energy: 1.0962845793343396 Energy: 1.1615492325725814 Energy: 1.1513473256047109 Energy: 1.1624862634337352 Energy: 1.1537818406155953 Energy: 1.1167487279054857 Energy: 1.2410281063006237 Energy: 1.113667294497325 Energy: 1.1537818406167992 Energy: 1.1167487279042818 Energy: 1.2410281063002222 Energy: 1.0946599421062198 Energy: 1.0576865472636257 Energy: 1.2721036838853634 Energy: 1.1221491201746943 Energy: 1.0946599421070222 Energy: 1.0576865472652308 Energy: 1.2721036838857647 Energy: 1.1326620517313275 Energy: 1.1183367209290553 Energy: 1.283483284121152 Energy: 1.0944420728407565 Energy: 1.1326620517301236 Energy: 1.1183367209298576 Energy: 1.311812263127458 Energy: 1.1201902996360298 Energy: 1.072551309074868 Energy: 1.212021253032197 Energy: 1.124171831718158 Energy: 1.1201902996340232 Energy: 1.072551309074868 Energy: 1.212021253030592 Energy: 1.1239599742992799 Energy: 1.1816153935096019 Energy: 1.1123674483262869 Energy: 1.1513384506909483 Energy: 1.1239599743004838 Energy: 1.1816153935096019 Energy: 1.1123674483258856 Energy: 1.111498580021428 Energy: 1.0949371760769264 Energy: 1.2954330864457015 Energy: 1.0863649102545503 Energy: 1.1114985800206256 Energy: 1.0949371760773277 Energy: 1.2954330864469055 Energy: 1.099025970109296 Energy: 1.061426187025987 Energy: 1.198774781865793 Energy: 1.0951970977516772 Energy: 1.0990259701100984 Energy: 1.061426187025987 Energy: 1.1987747818665957 Energy: 1.1092417267245678 Energy: 1.1003021298031717 Energy: 1.304205175178825 Energy: 1.22508790201319 Energy: 1.1092417267253702 Energy: 1.1003021298027706 Energy: 1.304205175180029 Energy: 1.1362185894265613 Energy: 1.0896732576344197 Energy: 1.231199086342773 Energy: 1.0473433925569668 Energy: 1.1362185894269625 Energy: 1.0896732576348211 Energy: 1.2311990863419704 Energy: 1.1527412747270256 Energy: 1.1646375408475698 Energy: 1.2652875312131278 Energy: 1.1348434642693714 Energy: 1.1527412747270256 Energy: 1.1646375408483722 Energy: 1.2652875312135292 Energy: 1.1158475515807658 Energy: 1.1241361140316946 Energy: 1.198398862729409 Energy: 1.0614806818540554 Energy: 1.115847551579963 Energy: 1.1241361140328985 Energy: 1.1983988627298103 Energy: 1.0618193400733036 Energy: 1.1091138677575776 Energy: 1.2478451125727574 Energy: 1.098034573091572 Energy: 1.061819340073705 Energy: 1.1091138677555712 Energy: 1.2478451125727574 Energy: 1.0980822544143185 Energy: 1.057981072146794 Energy: 1.1985437154617196 Energy: 1.1028306927437144 Energy: 1.0980822544139173 Energy: 1.0579810721459915 Energy: 1.1985437154617196 Energy: 1.1526472343146654 Energy: 1.1349545186337644 Energy: 1.2653536743222602 Energy: 1.143153542770379 Energy: 1.1526472343146654 Energy: 1.1349545186345669 Energy: 1.2653536743222602 Energy: 1.1330908743335768 Energy: 1.071777129474808 Energy: 1.2312029635183517 Energy: 1.121865262948364 Energy: 1.133090874332373 Energy: 1.071777129474808 Energy: 1.2312029635195556 Energy: 1.1172807537932554 Energy: 1.1753532062888288 Energy: 1.3150451828512053 Energy: 1.1001844820556812 Energy: 1.1172807537936569 Energy: 1.1753532062888288 Energy: 1.3150451828504026 Energy: 1.0891600315629066 Energy: 1.0952368712183782 Energy: 1.2739826132932013 Energy: 1.0613241325873786 Energy: 1.0891600315633079 Energy: 1.0952368712187797 Energy: 1.2739826132948064 Energy: 1.1115428333565505 Energy: 1.0867670932733504 Energy: 1.2849739349232616 Energy: 1.0948802421598014 Energy: 1.111542833356149 Energy: 1.0867670932721467 Energy: 1.2849739349212552 Energy: 1.1241079599060846 Energy: 1.1514000673943299 Energy: 1.2096669036467365 Energy: 1.1764321197278271 Energy: 1.1241079599048807 Energy: 1.1514000673943299 Energy: 1.2096669036471377 Energy: 1.1203157255176095 Energy: 1.125478765660382 Energy: 1.2120321377050471 Energy: 1.050205233973805 Energy: 1.120315725517208 Energy: 1.1254787656607832 Energy: 1.2120321377050471 Energy: 1.1327129180958 Energy: 1.0943318320301414 Energy: 1.3185678764550008 Energy: 1.1184499355501467 Energy: 1.1327129180962014 Energy: 1.094331832029339 Energy: 1.3078926869659526 Energy: 1.1046814823138904 Energy: 1.1430873984210528 Energy: 1.2728818831447055 Energy: 1.05742446840271 Energy: 1.1046814823154958 Energy: 1.1430873984222565 Energy: 1.2728818831443043 Energy: 1.146022427052449 Energy: 1.1075479053963524 Energy: 1.2597480371574288 Energy: 1.1126093661597334 Energy: 1.146022427052048 Energy: 1.1075479053951487 Energy: 1.2100167998677136 Energy: 1.143763783447592 Energy: 1.0966709593561002 Energy: 1.1627662653560908 Energy: 1.137776445360931 Energy: 1.143763783450401 Energy: 1.0966709593561002 Energy: 1.1627662653552884 Energy: 1.2248010786977173 Energy: 1.107736070082524 Energy: 1.291799086987206 Energy: 1.1069850797452778 Energy: 1.2248010786989212 Energy: 1.107736070082524 Energy: 1.2662716083482446 Energy: 1.1438135773160185 Energy: 1.1513473256043099 Energy: 1.1624862634345376 Energy: 1.1413992509424205 Energy: 1.143813577315617 Energy: 1.1513473256047109 Energy: 1.1624862634349389 Energy: 1.153781840616398 Energy: 1.116748727904683 Energy: 1.2410281063006237 Energy: 1.1074301664520774 Energy: 1.153781840616398 Energy: 1.1167487279054857 Energy: 1.2410281063002222 Energy: 1.0946599421070222 Energy: 1.0576865472648294 Energy: 1.2721036838865674 Energy: 1.1221491201754967 Energy: 1.0946599421062198 Energy: 1.0576865472640267 Energy: 1.2721036838849622 Energy: 1.132662051730926 Energy: 1.1183367209290553 Energy: 1.3118122631270566 Energy: 1.094442072839954 Energy: 1.1326620517313275 Energy: 1.1183367209290553 Energy: 1.311812263126254 Energy: 1.1255714519939215 Energy: 1.0491417577186197 Energy: 1.212021253030993 Energy: 1.124171831718158 Energy: 1.1255714519939215 Energy: 1.0491417577190212 Energy: 1.212021253032197 Energy: 1.1239599742996813 Energy: 1.181615393510003 Energy: 1.1123674483258856 Energy: 1.151338450692152 Energy: 1.1239599743000823 Energy: 1.1816153935096019 Energy: 1.1123674483262869 Energy: 1.1114985800210269 Energy: 1.094937176076124 Energy: 1.2954330864457015 Energy: 1.0863649102545503 Energy: 1.1114985800218293 Energy: 1.0949371760773277 Energy: 1.295433086447307 Energy: 1.099025970110901 Energy: 1.0840838073218375 Energy: 1.274037472892721 Energy: 1.095197097750473 Energy: 1.099025970109296 Energy: 1.0840838073218375 Energy: 1.1987747818649905 Energy: 1.1092417267253702 Energy: 1.1003021298035731 Energy: 1.3158183337534406 Energy: 1.2250879020135912 Energy: 1.1092417267245678 Energy: 1.1003021298035731 Energy: 1.3158183337542433 minimum gb energy = 1.0473433925569668 eV minimum distance = 2.30407339444418 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.0606473571446253 Energy: 1.0861957154903084 Energy: 1.1564293266828016 Energy: 1.0861027160822152 Energy: 1.0606473571441517 Energy: 1.0861957154898347 Energy: 1.1564293266832755 Energy: 1.0464845805952754 Energy: 1.1196167529260532 Energy: 1.099211811499422 Energy: 1.115363190630365 Energy: 1.0464845805952754 Energy: 1.1196167529265266 Energy: 1.0992118115017901 Energy: 1.0603016549909072 Energy: 1.0074946123939472 Energy: 1.2771881044301725 Energy: 1.0553042749485977 Energy: 1.060301654989013 Energy: 1.0074946123958415 Energy: 1.2771881044315931 Energy: 1.2422824183896608 Energy: 1.0992434069208665 Energy: 1.1152573317898644 Energy: 1.150449735121948 Energy: 1.2422824183901344 Energy: 1.0992434069208665 Energy: 1.115257331790338 Energy: 1.1019381606490606 Energy: 1.0577352210560327 Energy: 1.040013776158981 Energy: 1.0408649078931345 Energy: 1.101938160646219 Energy: 1.057735221055559 Energy: 1.0400137761708208 Energy: 1.0703154044184007 Energy: 1.0614198824594423 Energy: 1.1853830827195675 Energy: 1.2008996617210999 Energy: 1.0703154044169798 Energy: 1.061419882459916 Energy: 1.18538308271862 Energy: 1.2006379779300627 Energy: 1.06000355175675 Energy: 1.0732138290759268 Energy: 1.0574066195421135 Energy: 1.2006379779291154 Energy: 1.0600035517586446 Energy: 1.023517539015984 Energy: 1.4335859593753744 Energy: 1.0954728856579092 Energy: 1.185288100498825 Energy: 1.0955342106807462 Energy: 1.433585959376752 Energy: 1.0954728856579092 Energy: 1.1852881004997722 Energy: 1.2006828775694278 Energy: 1.0579500553799177 Energy: 1.1238698673482117 Energy: 1.0511879974236595 Energy: 1.2006828775713223 Energy: 1.0579500553794443 Energy: 1.1238698673472645 Energy: 1.2423918843965347 Energy: 1.2009254729672518 Energy: 1.1853027598025268 Energy: 1.064320152759046 Energy: 1.2423918843941668 Energy: 1.2009254729696197 Energy: 1.1853027598001589 Energy: 1.1018804557317907 Energy: 1.0406713088637423 Energy: 1.4669939082806798 Energy: 1.0575185136369774 Energy: 1.101880455732738 Energy: 1.0406713088613742 Energy: 1.39143911550001 Energy: 1.2422998896860133 Energy: 1.1505399339687414 Energy: 1.1153497576659765 Energy: 1.0992124821243283 Energy: 1.2422998896864872 Energy: 1.1505399339659 Energy: 1.1153497576621878 Energy: 1.0600824473579535 Energy: 1.0407183523539145 Energy: 1.093469837905497 Energy: 1.0076771101539472 Energy: 1.060082447357006 Energy: 1.0407183523539145 Energy: 1.0934698379092858 Energy: 1.0463716981332363 Energy: 1.115346797367056 Energy: 1.0991696709992582 Energy: 1.1196091279894311 Energy: 1.046371698132289 Energy: 1.115346797368477 Energy: 1.0991696709992582 Energy: 1.0606473571465198 Energy: 1.0861957154903084 Energy: 1.1564293266842225 Energy: 1.0861027160822152 Energy: 1.0606473571432045 Energy: 1.0861957154893611 Energy: 1.1564293266856434 Energy: 1.0464845805952754 Energy: 1.1196167529260532 Energy: 1.099211811499422 Energy: 1.115363190630365 Energy: 1.046484580595749 Energy: 1.1196167529260532 Energy: 1.0992118115013165 Energy: 1.0603016549918545 Energy: 1.0074946123934734 Energy: 1.277188104430646 Energy: 1.0553042749490713 Energy: 1.06030165498996 Energy: 1.007494612395368 Energy: 1.2771881044320665 Energy: 1.2422824183896608 Energy: 1.0992434069218138 Energy: 1.1152573317893908 Energy: 1.1504497351210008 Energy: 1.2422824183896608 Energy: 1.09924340692134 Energy: 1.1152573317898644 Energy: 1.1019381606495344 Energy: 1.057735221056506 Energy: 1.0400137761291444 Energy: 1.0408649078931345 Energy: 1.1019381606471663 Energy: 1.057735221056506 Energy: 1.0400137761381427 Energy: 1.070315404417927 Energy: 1.0614198824603895 Energy: 1.1853830827195675 Energy: 1.2008996617206262 Energy: 1.0703154044165062 Energy: 1.0614198824603895 Energy: 1.18538308271862 Energy: 1.2006379779295888 Energy: 1.06000355175675 Energy: 1.0235175390192992 Energy: 1.0574066195430605 Energy: 1.2006379779291154 Energy: 1.0600035517562767 Energy: 1.0235175390155105 Energy: 1.4335859593758478 Energy: 1.0954728856579092 Energy: 1.1852881004992988 Energy: 1.0955342106807462 Energy: 1.4335859593763214 Energy: 1.0954728856579092 Energy: 1.185288100497404 Energy: 1.2006828775699014 Energy: 1.0579500553789705 Energy: 1.1238698673486853 Energy: 1.0511879974236595 Energy: 1.2006828775713223 Energy: 1.057950055378497 Energy: 1.1238698673520005 Energy: 1.242391884397482 Energy: 1.2009254729672518 Energy: 1.1853027597992116 Energy: 1.0643201527599933 Energy: 1.2423918843936934 Energy: 1.2009254729696197 Energy: 1.1853027598015797 Energy: 1.1018804557294228 Energy: 1.0406713088632689 Energy: 1.4632558182433943 Energy: 1.05751851363603 Energy: 1.1018804557332114 Energy: 1.0406713088646897 Energy: 1.4632558182396054 Energy: 1.2422998896860133 Energy: 1.1505399339687414 Energy: 1.1153497576650295 Energy: 1.0992124821243283 Energy: 1.2422998896869606 Energy: 1.1505399339659 Energy: 1.1153497576626614 Energy: 1.0600824473536912 Energy: 1.0407183523548615 Energy: 1.0934698379059706 Energy: 1.0076771101539472 Energy: 1.060082447356059 Energy: 1.0407183523539145 Energy: 1.093469837908812 Energy: 1.0463716981337101 Energy: 1.1153467973689504 Energy: 1.0991696709992582 Energy: 1.1196091279903784 Energy: 1.046371698132289 Energy: 1.1153467973656355 Energy: 1.0991696709992582 Energy: 1.0606473571441517 Energy: 1.0861957154898347 Energy: 1.156429326682328 Energy: 1.0861027160826888 Energy: 1.0606473571408797 Energy: 1.0861957154903084 Energy: 1.1564293266837489 Energy: 1.0464845805952754 Energy: 1.1196167529255796 Energy: 1.099211811499422 Energy: 1.115363190630365 Energy: 1.046484580595749 Energy: 1.1196167529260532 Energy: 1.0992118115017901 minimum gb energy = 1.0074946123934734 eV minimum distance = 2.31431637654094 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.0717123475262602 Energy: 1.2199468597478513 Energy: 1.091094459235847 Energy: 1.2149723240830574 Energy: 1.07171234752741 Energy: 1.2199468597467016 Energy: 1.0910944592335472 Energy: 1.0870677479600606 Energy: 1.1017787967050416 Energy: 1.1516714743955436 Energy: 1.0202719313210287 Energy: 1.0870677479617852 Energy: 1.1017787967038917 Energy: 1.1516714743949688 Energy: 1.0795624099543264 Energy: 1.1242525513388588 Energy: 1.1664123207739583 Energy: 1.0329409404482432 Energy: 1.0795624099543264 Energy: 1.1242525513394337 Energy: 1.1664123207728083 Energy: 1.1336097831836602 Energy: 1.06827956162441 Energy: 1.208323302557091 Energy: 1.0429985286366836 Energy: 1.1336097831819352 Energy: 1.068279561624985 Energy: 1.208323302556516 Energy: 1.0400206023962693 Energy: 1.100247091927278 Energy: 1.1276891049139632 Energy: 1.0567929458634622 Energy: 1.0400206023951193 Energy: 1.1002470919267033 Energy: 1.1276891049139632 Energy: 1.1335999554886924 Energy: 1.0514837485829385 Energy: 1.1762869677111627 Energy: 1.0686141346243831 Energy: 1.1335999554875427 Energy: 1.0514837485835133 Energy: 1.1762869677123124 Energy: 1.0937986364711767 Energy: 1.148740248872733 Energy: 1.1063115508554342 Energy: 1.0787689871011499 Energy: 1.0937986364717514 Energy: 1.1487402488715828 Energy: 1.1063115508565842 Energy: 1.0474572072001878 Energy: 1.1142401655727143 Energy: 1.1834801971663134 Energy: 1.0642340853931915 Energy: 1.0474572072007367 Energy: 1.114240165573864 Energy: 1.1834801971657383 Energy: 1.1208160539668754 Energy: 1.0583215680790565 Energy: 1.1287178954351957 Energy: 1.2117020992423742 Energy: 1.1208160539668754 Energy: 1.0583215680784817 Energy: 1.1287178954363457 Energy: 1.039394859790894 Energy: 1.094444397884652 Energy: 1.0727571459765683 Energy: 1.1153758403000762 Energy: 1.0393948597891691 Energy: 1.094444397885227 Energy: 1.0727571459765683 Energy: 1.1610662716677518 Energy: 1.1454005556920372 Energy: 1.0597234300323977 Energy: 1.0569145827350064 Energy: 1.1610662716677518 Energy: 1.1454005556926123 Energy: 1.0597234300323977 Energy: 1.032338695662503 Energy: 1.199228817074387 Energy: 1.1279948807099143 Energy: 1.118045425586487 Energy: 1.0323386956630778 Energy: 1.1992288170738121 Energy: 1.1279948807093394 Energy: 1.1597295034526285 Energy: 1.1454082200098963 Energy: 1.2377055225080134 Energy: 1.073386863189708 Energy: 1.1597295034526285 Energy: 1.1454082200093216 Energy: 1.2377055225085882 Energy: 1.0345855031174545 Energy: 1.0799070898730183 Energy: 1.0487306666994243 Energy: 1.1580332307698706 Energy: 1.0345855031174545 Energy: 1.0799070898724432 Energy: 1.0487306667005742 Energy: 1.1775353972956086 Energy: 1.082274675773946 Energy: 1.1964303296494412 Energy: 1.0237195655718971 Energy: 1.1775353972967584 Energy: 1.0822746757750958 Energy: 1.1964303296482912 Energy: 0.9966107459587071 Energy: 1.1635905571219762 Energy: 1.120393649830205 Energy: 1.1200302271839762 Energy: 0.9966107459587071 Energy: 1.1635905571219762 Energy: 1.120393649831355 Energy: 1.1592494474164947 Energy: 1.0035931654837607 Energy: 1.1684990013748 Energy: 1.0236439924614835 Energy: 1.1592494474159196 Energy: 1.0035931654831858 Energy: 1.168499001375375 Energy: 0.9936078566318076 Energy: 1.0781958825872178 Energy: 1.0423604274995912 Energy: 1.109049775939393 Energy: 0.9936078566335325 Energy: 1.078195882586643 Energy: 1.042360427500741 Energy: 1.089103969165322 Energy: 1.068633806150849 Energy: 1.172925642460031 Energy: 1.0432668903820206 Energy: 1.089103969165322 Energy: 1.068633806150849 Energy: 1.172925642460031 Energy: 0.9907115385425266 Energy: 1.1395376873931873 Energy: 1.0358043871020803 Energy: 1.1398971788405592 Energy: 0.9907115385419518 Energy: 1.1395376873931873 Energy: 1.0358043871020803 Energy: 1.089144619266069 Energy: 1.0494209516821513 Energy: 1.1727870150611424 Energy: 1.068525198376833 Energy: 1.089144619266069 Energy: 1.0494209516821513 Energy: 1.1727870150530937 Energy: 0.9935252672797046 Energy: 1.1090291053684016 Energy: 1.0419189919236729 Energy: 1.0779054849353584 Energy: 0.9935252672791296 Energy: 1.1090291053695513 Energy: 1.0419189919236729 Energy: 1.1594613355367114 Energy: 1.023659203969507 Energy: 1.290616396590532 Energy: 1.003678750500173 Energy: 1.1594613355361365 Energy: 1.023659203969507 Energy: 1.2906163965916817 Energy: 0.9967376973381273 Energy: 1.1187480612855794 Energy: 1.1274407192233094 Energy: 1.1639069894628642 Energy: 0.9967376973375524 Energy: 1.1187480612867293 Energy: 1.127440719224459 Energy: 1.1663854545355905 Energy: 1.0236911261532284 Energy: 1.2593558116534675 Energy: 1.0823239428572022 Energy: 1.1663854545350156 Energy: 1.0236911261538035 Energy: 1.2593558116534675 minimum gb energy = 0.9907115385419518 eV minimum distance = 2.30088966262509 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.1365333956190926 Energy: 1.1691844748272775 Energy: 1.1586208862817544 Energy: 1.1697016957607282 Energy: 1.1365333956190926 Energy: 1.1691844748240687 Energy: 1.1586208862785456 Energy: 1.1359812953288695 Energy: 1.1503010786918488 Energy: 1.2094696562186456 Energy: 1.1691599281067 Energy: 1.1359812953352868 Energy: 1.1503010786918488 Energy: 1.2094696562186456 Energy: 1.1602617990348614 Energy: 1.1217640466196648 Energy: 1.1553860866864099 Energy: 1.12742695395098 Energy: 1.1602617990348614 Energy: 1.1217640466228735 Energy: 1.1553860866864099 Energy: 1.0311769146036696 Energy: 1.1561757600636633 Energy: 1.2347616800878736 Energy: 1.2010807697616814 Energy: 1.0311769146036696 Energy: 1.1561757600636633 Energy: 1.2347616800846648 Energy: 1.144899321977732 Energy: 1.1195499687362587 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1.2382658973619662 Energy: 1.1718011650156046 Energy: 1.0808307989883292 Energy: 1.1885702683446082 Energy: 1.2382658973683836 Energy: 1.1483611968155056 Energy: 1.107759397052447 Energy: 1.2749067958170983 Energy: 1.163966828852977 Energy: 1.148361196812297 Energy: 1.107759397052447 Energy: 1.2749067958170983 Energy: 1.0660464987909342 Energy: 1.1134375192013544 Energy: 1.2572114492142938 Energy: 1.105765586541666 Energy: 1.0660464987909342 Energy: 1.1134375192045631 Energy: 1.2572114492142938 Energy: 1.0358948169538198 Energy: 1.108405204395965 Energy: 1.266976881820346 Energy: 1.1548722269660798 Energy: 1.0358948169506113 Energy: 1.108405204395965 Energy: 1.2669768818235545 minimum gb energy = 1.0208215536545837 eV minimum distance = 2.28639118029383 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.1531778676293758 Energy: 1.2761450215046164 Energy: 1.0752938269188625 Energy: 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Energy: 1.153177867631546 Energy: 1.2761450215046164 Energy: 0.9480683749666456 Energy: 1.1531778676308226 Energy: 1.27614502150534 Energy: 0.9480683749109416 Energy: 1.27614502150534 Energy: 1.153177867631546 Energy: 1.27614502150534 Energy: 0.9480683749529005 Energy: 1.1531778676300992 Energy: 1.2761450215038932 Energy: 0.9480683748241631 Energy: 1.2761450215046164 Energy: 1.1531778676322695 Energy: 1.2761450215046164 Energy: 0.9480683748682923 Energy: 1.153177867631546 Energy: 1.2761450215060632 Energy: 0.9480683748964731 Energy: 1.27614502150534 Energy: 1.1531778676308226 Energy: 1.2761450215038932 Energy: 0.948068375037509 minimum gb energy = 0.9480683748205458 eV minimum distance = 2.38662043053913 Angstroms sigma value = 23