Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.8886456787586208 cohesive_energy=4.178986868850123 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.1133190455450198e-23, 8.32032756509076e-20, 2.20296082821732e-19, 3.33994547653542e-19, 4.08463717601862e-19, 4.467621478609979e-19, 4.66331133268674e-19, 4.854066482730779e-19, 5.067075866221079e-19, 5.29453688295006e-19, 5.5267403425156795e-19, 5.7529356397038e-19, 5.963493692944079e-19, 6.15114062031816e-19, 6.31118204428842e-19, 6.441310830501899e-19, 6.54107836950108e-19, 6.611381880201e-19, 6.654015800431739e-19, 6.67708714396134e-19, 6.690561449453279e-19, 6.6949514134304395e-19, 6.6902089705938e-19, 6.67489216197276e-19, 6.64701428854116e-19, 6.60430025947872e-19, 6.54394626567594e-19, 6.46263580150044e-19, 6.3563153600682e-19, 6.22006625911284e-19, 6.04788033625686e-19, 5.832307470152159e-19, 5.56416718868592e-19, 5.23195586362602e-19, 4.82112573113574e-19, 4.3132197163913997e-19, 3.6844454963781e-19, 2.9038650402932996e-19, 1.93071897456804e-19, 7.105236805865159e-20, -1.008996370087644e-19, -3.5172263210875197e-19, -6.78364791188868e-19, -1.0811808361558798e-18, -1.5777610642744739e-18, -2.20917727355724e-18, -3.1257825258686396e-18, -4.641249360436559e-18, -6.8696527536018e-18, -1.0165586438001239e-17, -1.590942171442392e-17, -2.79454852855548e-17] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.012621635112653224 Energy: 1.072165816601144 Energy: 1.8904470380582306 Energy: 0.012954776480088 Energy: 1.0721658166020993 Energy: 0.2421527478078174 Energy: 1.0707022788510168 Energy: 0.2421527478078174 Energy: 1.8904470371433246 Energy: 1.0707022788519718 Energy: 1.3087369958187265 Energy: 1.0707022788529266 Energy: 0.012954776480088 Energy: 0.2421527478078174 Energy: 1.0707022788500618 Energy: 0.2421527478078174 minimum gb energy = 0.012621635112653224 eV minimum distance = 2.45994348734502 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 2.158700328428947 Energy: 1.0438538420727521 Energy: 1.0233463875416378 Energy: 2.2791364953868842 Energy: 1.9619426000015008 Energy: 1.1222545802752046 Energy: 1.1244086900561918 Energy: 1.1222545802740134 Energy: 1.9574392732083357 Energy: 1.0066260778367022 Energy: 1.0292340166755025 Energy: 1.0066260778378937 Energy: 1.9790032244801856 Energy: 1.0693148941799948 Energy: 1.0595490140734114 Energy: 1.069314894181186 Energy: 1.9981312817447534 Energy: 1.16037501013647 Energy: 1.3964514325461426 Energy: 1.1603750101174088 Energy: 1.9792486872315775 Energy: 1.3375609628424912 Energy: 1.3562427048879127 Energy: 1.3375609628424912 Energy: 1.664969139247029 Energy: 1.307236355794531 Energy: 1.4314583140595474 Energy: 1.307236355795722 Energy: 1.6804495807996334 Energy: 1.2803745472761334 Energy: 1.3399945243253857 Energy: 1.2803745472761334 Energy: 1.685424518504606 Energy: 1.8821307855479996 Energy: 1.809666947937973 Energy: 1.8821307855479996 Energy: 1.6708501981203108 Energy: 1.4588718664097884 Energy: 1.6831943079627576 Energy: 1.4588718664109799 Energy: 1.735322367566011 Energy: 1.3788669430964502 Energy: 1.8352064478711916 Energy: 1.3788669430964502 Energy: 1.3308518148926938 Energy: 1.3758068979049167 Energy: 1.661031994607654 Energy: 1.375806897903725 Energy: 1.3976702076625744 Energy: 1.402683432478782 Energy: 1.6609883588567587 Energy: 1.402683432478782 Energy: 1.4132270728165572 Energy: 1.31317650162512 Energy: 1.9769354191012256 Energy: 1.31317650162512 Energy: 1.4157847671574968 Energy: 1.2852921860178654 Energy: 2.1634315406595515 Energy: 1.2852921860166742 Energy: 1.0596125211963956 Energy: 1.192437609353917 Energy: 1.9613608068262374 Energy: 1.1924376093562998 Energy: 1.0060033307717358 Energy: 0.9973636185315846 Energy: 1.9715528890681313 Energy: 0.9973636185315846 Energy: 1.110526100503743 Energy: 1.0625152355335459 Energy: 1.9622983452690232 Energy: 1.0625152355347371 Energy: 1.0581306462523061 Energy: 1.0212863474692684 Energy: 2.3275351174356036 Energy: 1.0212863474704597 Energy: 1.217381197505877 Energy: 1.1683804772671385 Energy: 1.9503133778535735 Energy: 1.168380477264756 Energy: 1.2195547605848533 Energy: 1.1001881758053107 Energy: 1.8559525759218531 Energy: 1.1001881758053107 Energy: 1.1105737918140197 Energy: 1.1045019647954604 Energy: 1.859373319090535 Energy: 1.1045019647942689 Energy: 1.11084449242126 Energy: 1.3041497154675892 Energy: 2.0089326640978924 Energy: 1.30414971549017 Energy: 1.5473298091182814 Energy: 1.3748722236359474 Energy: 1.8592579587351483 Energy: 1.3748722236359474 Energy: 1.6279284354845454 Energy: 1.3759630303327008 Energy: 1.9772497671994003 Energy: 1.3759630303303185 Energy: 1.521534760469012 Energy: 1.346838214513542 Energy: 1.491802429665272 Energy: 1.3468382145147335 Energy: 1.476942332785983 Energy: 1.6477549054071117 Energy: 1.68559506219358 Energy: 1.6477549054071117 Energy: 1.868265712963768 Energy: 1.4046091265886786 Energy: 1.4951157797971477 Energy: 1.4046091265886786 Energy: 1.8241585342031366 Energy: 1.372012535661669 Energy: 1.667616469034328 Energy: 1.3720125356628603 Energy: 1.7496405221263602 Energy: 1.3702111931691332 Energy: 1.1133399240542854 Energy: 1.370211193167942 Energy: 1.8615610435309486 Energy: 1.1244173196459322 Energy: 1.1364197376964986 Energy: 1.1244173196447407 Energy: 1.962509478716471 Energy: 1.1136461233915698 Energy: 1.2228760453111733 Energy: 1.1136461233915698 Energy: 1.9453670741742612 Energy: 1.1283969421298554 Energy: 1.1246546769325187 Energy: 1.1283969421298554 minimum gb energy = 0.9973636185315846 eV minimum distance = 2.28461841385781 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 2.4426854903333686 Energy: 2.300148738036314 Energy: 1.0605784251961057 Energy: 2.1276447237525598 Energy: 1.8869847763137344 Energy: 1.0684632442424238 Energy: 1.0607889767708418 Energy: 1.0684632442410655 Energy: 1.9150971035859494 Energy: 1.0438372996844556 Energy: 1.0679280131298843 Energy: 1.0438372996844556 Energy: 1.9151451164088462 Energy: 1.16949297867166 Energy: 1.1782493076128808 Energy: 1.169492978673018 Energy: 2.0192112912136615 Energy: 1.0656157971258757 Energy: 1.3872980416454261 Energy: 1.0656157971299507 Energy: 1.9155819913474637 Energy: 1.234214707444416 Energy: 1.4338052667714702 Energy: 1.234214707444416 Energy: 1.9657145229640614 Energy: 1.2262630818809255 Energy: 1.3322079339327795 Energy: 1.2262630818822835 Energy: 1.6722277808584547 Energy: 1.2358725711277834 Energy: 1.2947969770544332 Energy: 1.2358725711277834 Energy: 2.051657157578385 Energy: 1.4287364929257649 Energy: 1.642597325732345 Energy: 1.4287364928809405 Energy: 1.7380858558513768 Energy: 1.374271605395113 Energy: 1.6866230652125234 Energy: 1.3742716053937547 Energy: 1.8516916735115 Energy: 1.3597579604749843 Energy: 1.6687109703284022 Energy: 1.3597579604736258 Energy: 1.3031938756317727 Energy: 1.326817467975264 Energy: 1.451310963361377 Energy: 1.326817467975264 Energy: 1.3526445093709667 Energy: 1.227693397716328 Energy: 1.7082903118312622 Energy: 1.2276933977095366 Energy: 1.264304912713367 Energy: 1.2377802057839762 Energy: 1.9153507413180437 Energy: 1.2377802057839762 Energy: 1.4125209507124905 Energy: 1.2367068053608148 Energy: 2.4336678522093362 Energy: 1.2367068053635315 Energy: 1.0673401429404208 Energy: 1.0691149242403695 Energy: 1.8696995618127341 Energy: 1.069114924241728 Energy: 1.072533746469918 Energy: 1.0336179797034795 Energy: 1.9157503942542984 Energy: 1.033617979704838 Energy: 1.043762611140823 Energy: 1.042630668602206 Energy: 1.915782615803541 Energy: 1.0426306686035647 Energy: 1.08326126488927 Energy: 1.254526978477366 Energy: 2.021622743570697 Energy: 1.254526978477366 Energy: 1.4343082695245137 Energy: 1.225909090885977 Energy: 1.9157704412012218 Energy: 1.2259090908886938 Energy: 1.276354030033078 Energy: 1.22776650188571 Energy: 1.966746618631219 Energy: 1.22776650188571 Energy: 1.2966141813778804 Energy: 1.2362013006712005 Energy: 1.7070304692823108 Energy: 1.2362013006712005 Energy: 1.2854959051573662 Energy: 1.3754905629112792 Energy: 2.051269312114956 Energy: 1.3754905629085625 Energy: 1.6867890797336924 Energy: 1.3738662018330363 Energy: 1.7388827800127042 Energy: 1.373866201831678 Energy: 1.669499490569544 Energy: 1.4022265914310588 Energy: 1.8642679684735326 Energy: 1.4022265914283418 Energy: 1.4494008629475592 Energy: 1.3746396478423089 Energy: 1.2916614539413867 Energy: 1.3746396478423089 Energy: 1.6975222707090727 Energy: 1.227555945222261 Energy: 1.3675973808662178 Energy: 1.2275559452290525 Energy: 1.9156001044055855 Energy: 1.2355655110558652 Energy: 1.2637687256844656 Energy: 1.2355655110558652 Energy: 1.8678177586503735 Energy: 1.2366322401721612 Energy: 1.4115058715864788 Energy: 1.2366322401721612 minimum gb energy = 1.0336179797034795 eV minimum distance = 2.29762827020996 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 2.292447182134997 Energy: 2.283483650544577 Energy: 1.1122543448863809 Energy: 2.2663009115507697 Energy: 1.8001257271640967 Energy: 1.1103178951806627 Energy: 1.19072788447237 Energy: 1.1103178951790835 Energy: 1.8011469739736135 Energy: 1.1068013297548744 Energy: 1.1505206618625343 Energy: 1.1068013297548744 Energy: 1.8695507675378467 Energy: 1.088937747932112 Energy: 1.1135680774407772 Energy: 1.088937747932112 Energy: 2.0743967623519244 Energy: 1.1359483929897738 Energy: 1.5164550790211473 Energy: 1.1359483929897738 Energy: 1.8696899488275271 Energy: 1.4127016074828305 Energy: 1.5443185702240916 Energy: 1.4127016074828305 Energy: 2.024897442370382 Energy: 1.4689553909588922 Energy: 1.6035637981604411 Energy: 1.4689553909573134 Energy: 1.5125897874402752 Energy: 1.3816305199638004 Energy: 1.5354523090660182 Energy: 1.3816305199638004 Energy: 1.6713978054441623 Energy: 1.7059246938110795 Energy: 1.6318386941947558 Energy: 1.7059246938047634 Energy: 1.5107886325942044 Energy: 1.4100830913360083 Energy: 1.8484882909247535 Energy: 1.4100830913360083 Energy: 1.6620881438898394 Energy: 1.4912125479710507 Energy: 1.8028397889614867 Energy: 1.4912125479694716 Energy: 1.088403457036752 Energy: 1.088914593454896 Energy: 1.8033170536209935 Energy: 1.088914593454896 Energy: 1.1166021571119504 Energy: 1.1229874739501906 Energy: 1.8012512812614294 Energy: 1.1229874739501906 Energy: 1.2003900837053192 Energy: 1.1671086743925088 Energy: 1.8514565334670212 Energy: 1.1671086743940877 Energy: 1.166354876432083 Energy: 1.249135516821918 Energy: 2.076403140495152 Energy: 1.249135516820339 Energy: 1.3134672713496631 Energy: 1.3112527114834005 Energy: 1.794576157011075 Energy: 1.3112527114834005 Energy: 1.2785004011885122 Energy: 1.2365331576059548 Energy: 1.8675436541679002 Energy: 1.2365331576075336 Energy: 1.2671487130729404 Energy: 1.239737418261701 Energy: 1.697569259089791 Energy: 1.239737418261701 Energy: 1.2556651657186246 Energy: 1.7055227635925254 Energy: 1.6662373998379247 Energy: 1.705522763589367 Energy: 1.7176190761843486 Energy: 1.5132557076526811 Energy: 1.724528609498903 Energy: 1.5132557076526811 Energy: 1.672192357926741 Energy: 1.5427443123707991 Energy: 1.9263213365091236 Energy: 1.5427443123707991 Energy: 1.7226866222947668 Energy: 1.5429224867525086 Energy: 1.3607517748398608 Energy: 1.5429224867509297 Energy: 1.6886842126291681 Energy: 1.3001029164893718 Energy: 1.2939707413308539 Energy: 1.3001029164877929 Energy: 1.8007296559099362 Energy: 1.2485243556004166 Energy: 1.260401605869247 Energy: 1.2485243556004166 Energy: 1.8018284497768633 Energy: 1.252250647619603 Energy: 1.2513913664020933 Energy: 1.252250647619603 minimum gb energy = 1.088403457036752 eV minimum distance = 2.28417760028839 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 2.0937573071600495 Energy: 2.160464652573732 Energy: 1.1769354230150129 Energy: 1.9114308911464477 Energy: 1.6625004987042336 Energy: 1.172858615091516 Energy: 1.1716439879032239 Energy: 1.1728586150924578 Energy: 1.7607284604188083 Energy: 1.144182091650335 Energy: 1.1814145196830175 Energy: 1.144182091648451 Energy: 1.789965128429829 Energy: 1.1727368562759504 Energy: 1.1833016105088419 Energy: 1.1727368562753722 Energy: 1.5980058684194094 Energy: 1.610606952295036 Energy: 1.5232590811103455 Energy: 1.6106069522961706 Energy: 1.784712441289945 Energy: 1.3741338575683673 Energy: 1.5552207453377753 Energy: 1.37413385756856 Energy: 1.838119107370025 Energy: 1.4669542994715823 Energy: 1.169654753944379 Energy: 1.4669542994721387 Energy: 1.4211414134951506 Energy: 1.2921703579179853 Energy: 1.5557112546452436 Energy: 1.29217035791912 Energy: 1.6253804173161843 Energy: 1.58720229241492 Energy: 1.936159365112123 Energy: 1.587202292414171 Energy: 1.4553006943496336 Energy: 1.4710386163217868 Energy: 1.7152219534610962 Energy: 1.4710386163221507 Energy: 1.6033985543112381 Energy: 1.6130329333876663 Energy: 2.0951499354934127 Energy: 1.6130329333871098 Energy: 1.1710808096910312 Energy: 1.1695182674830076 Energy: 1.6346155072537722 Energy: 1.1695182674818945 Energy: 1.180053485837031 Energy: 1.1645721898729482 Energy: 1.711575732597023 Energy: 1.16457218987389 Energy: 1.1814973135070486 Energy: 1.1717503628058399 Energy: 1.8467226740727773 Energy: 1.1717503628056687 Energy: 1.1839994724937615 Energy: 1.612870930093558 Energy: 1.5958704205503056 Energy: 1.6128709300952488 Energy: 1.5554975847812957 Energy: 1.3707361370335862 Energy: 1.8432392079200763 Energy: 1.370736137031146 Energy: 1.169990307765336 Energy: 1.3784568923072598 Energy: 1.8495319223653468 Energy: 1.3784568923072598 Energy: 1.17010465644268 Energy: 1.3855132711130789 Energy: 1.4201114136501811 Energy: 1.3855132711142135 Energy: 1.5554329813203156 Energy: 1.5881112444348728 Energy: 1.6244894643083978 Energy: 1.5881112444342949 Energy: 1.715490071754969 Energy: 1.4758982036176986 Energy: 1.4149708001272292 Energy: 1.4758982036180839 Energy: 1.88590679154096 Energy: 1.3703254117579036 Energy: 1.60325975763245 Energy: 1.3703254117601726 minimum gb energy = 1.144182091648451 eV minimum distance = 2.30741687308705 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.810000906682078 Energy: 2.2152795356590453 Energy: 1.2887286600505796 Energy: 2.070670212622978 Energy: 1.6428937609457872 Energy: 1.292697168539319 Energy: 1.2757242841013494 Energy: 1.292697168539319 Energy: 1.5508053832413735 Energy: 1.2527575084539626 Energy: 1.250726838329228 Energy: 1.2527575084544391 Energy: 1.6189862461235789 Energy: 1.3120690728893696 Energy: 1.2857205269708905 Energy: 1.3120690728884163 Energy: 1.521125661235717 Energy: 1.9561500873376572 Energy: 1.9029457854847873 Energy: 1.9561500873339248 Energy: 1.6168822143679933 Energy: 1.6119516734649608 Energy: 1.6145083546421626 Energy: 1.6119516734649608 Energy: 1.7281838941280523 Energy: 1.574239899164009 Energy: 1.6978359365664304 Energy: 1.5742398991635322 Energy: 1.209902086365327 Energy: 1.3654342155215209 Energy: 1.651842030610775 Energy: 1.3654342155208328 Energy: 1.2336253762212273 Energy: 1.4314353668463278 Energy: 1.64609503526394 Energy: 1.4314353668479691 Energy: 1.239388177492592 Energy: 1.2491710676459358 Energy: 1.643038308316371 Energy: 1.2491710676464125 Energy: 1.4191437501932282 Energy: 1.472200601286349 Energy: 2.1967453120176628 Energy: 1.472200601286111 Energy: 1.6055911854732203 Energy: 1.5781253698574926 Energy: 1.5893332131769977 Energy: 1.5781253698579425 Energy: 1.5000427529146558 Energy: 1.4237945577694122 Energy: 1.6431575570578247 Energy: 1.4237945577710536 Energy: 1.4736835167412639 Energy: 1.5188981335841836 Energy: 1.4940121606315344 Energy: 1.5188981335839453 Energy: 1.572923622942533 Energy: 1.590850439872873 Energy: 1.5264360586909447 Energy: 1.590850439872873 Energy: 1.5605114077321405 Energy: 1.460658129702683 Energy: 1.482343887711259 Energy: 1.4606581297024712 Energy: 1.527673153453612 Energy: 1.5100730514848197 Energy: 1.4847387110769195 Energy: 1.5100730514871492 minimum gb energy = 1.209902086365327 eV minimum distance = 2.26977694657513 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 2.5264938079524346 Energy: 2.2703982526743416 Energy: 1.4326899369395731 Energy: 2.175404181556739 Energy: 1.5311686768368562 Energy: 1.3479988920720265 Energy: 1.4325118135564805 Energy: 1.347998892074665 Energy: 1.5661665896460932 Energy: 1.4223641811609176 Energy: 1.3276232335633402 Energy: 1.4223641811727614 Energy: 1.5107871745631771 Energy: 1.4297454925831476 Energy: 1.2694745212884384 Energy: 1.4297454925791897 Energy: 1.8350842978948485 Energy: 1.61386235577625 Energy: 1.5818077039692182 Energy: 1.6138623557775693 Energy: 1.513657468309173 Energy: 1.5988749756864225 Energy: 1.4794889795458173 Energy: 1.5988749756771872 Energy: 1.4770823643274476 Energy: 1.401561107023598 Energy: 1.5925939547107533 Energy: 1.4015611070222787 Energy: 1.316569832358401 Energy: 1.2464834077122655 Energy: 1.592307604496679 Energy: 1.2464834077109463 Energy: 1.2988771613891834 Energy: 1.2626433458267754 Energy: 1.4824841620062026 Energy: 1.262643345828095 Energy: 1.2375821957032267 Energy: 1.3328034750860236 Energy: 1.5317452410092094 Energy: 1.3328034750860236 Energy: 1.2518525001571357 Energy: 1.5311809131866099 Energy: 1.8293055833794023 Energy: 1.5311809131866099 Energy: 1.4947831871223087 Energy: 1.6019092240523023 Energy: 1.509249113464126 Energy: 1.6019092240523023 Energy: 1.5134606806706916 Energy: 1.5213833611301941 Energy: 1.472317426279977 Energy: 1.5213833611288747 Energy: 1.5950554081432504 Energy: 1.5208761812479155 Energy: 1.2939895082583042 Energy: 1.5208761812465963 Energy: 1.5136772847136526 Energy: 1.330375259207346 Energy: 1.2582336385733799 Energy: 1.3303752592060265 Energy: 1.5407278443328338 Energy: 1.2654878752185987 Energy: 1.2862979290431173 Energy: 1.265487875219918 Energy: 1.7307556831809305 Energy: 1.3523544259289766 Energy: 1.3006157707886261 Energy: 1.3523544259276574 Energy: 1.6059322684345936 Energy: 1.5494999547701265 Energy: 1.5421705575438307 Energy: 1.5494999547701265 Energy: 1.5293549705639893 Energy: 1.6041179964728096 Energy: 1.520142341057769 Energy: 1.6041179964728096 Energy: 1.3886760383709973 Energy: 1.7172129746983957 Energy: 1.6120920612466105 Energy: 1.7172129746983957 Energy: 1.246537803130868 Energy: 1.4331645391272883 Energy: 1.5147199006418155 Energy: 1.4331645391259689 Energy: 1.3043075229828387 Energy: 1.4057293686325854 Energy: 1.5132013775363502 Energy: 1.4057293686312662 Energy: 1.3960132730200283 Energy: 1.3811464100323478 Energy: 1.5668050060857959 Energy: 1.3811464100310284 Energy: 1.4985389224076273 Energy: 1.3848567032982781 Energy: 2.2462158752478487 Energy: 1.3848567032982781 Energy: 1.5127375856760594 Energy: 1.5039973833498117 Energy: 1.5139474548965324 Energy: 1.503997383355089 Energy: 1.4427519083986322 Energy: 1.4817571266401044 Energy: 1.548162039031893 Energy: 1.4817571266401044 Energy: 1.4193326440629923 Energy: 1.513644940362537 Energy: 1.4309117143300387 Energy: 1.513644940362537 Energy: 1.6247610833559547 Energy: 1.5300992794904384 Energy: 1.4431209726406142 Energy: 1.5300992794917578 Energy: 1.5675120348421876 Energy: 1.5040923284815568 Energy: 1.5553627667923584 Energy: 1.5040923284815568 Energy: 2.524798941336199 Energy: 1.360171453684475 Energy: 1.5507650520058371 Energy: 1.360171453684475 minimum gb energy = 1.2375821957032267 eV minimum distance = 2.35291967314311 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.1718824777075463 Energy: 1.7326273031854622 Energy: 1.2444941763071098 Energy: 1.28811111578992 Energy: 1.342083533088976 Energy: 1.3000068068859616 Energy: 1.237482069769675 Energy: 1.300006806884443 Energy: 1.3188122995001506 Energy: 1.320115030368392 Energy: 1.2406189031686508 Energy: 1.3201150303674944 Energy: 1.3183932227179962 Energy: 1.3100071151491712 Energy: 1.316162712048439 Energy: 1.3100071151501032 Energy: 1.3691070703518453 Energy: 1.3468025861573285 Energy: 1.314306389749519 Energy: 1.3468025861570179 Energy: 1.3212002234195248 Energy: 1.3130983282942275 Energy: 1.314708464133312 Energy: 1.3130983282905688 Energy: 1.314838023523575 Energy: 1.3217641421872248 Energy: 1.174015551607063 Energy: 1.3217641421881223 Energy: 1.24030818861988 Energy: 1.3329158096512543 Energy: 1.1752411742820432 Energy: 1.3329158096555345 Energy: 1.2408033495622286 Energy: 1.300673531658424 Energy: 1.3152996414109104 Energy: 1.3006735316605291 Energy: 1.235599856326573 Energy: 1.3158278971767545 Energy: 1.3199470011902459 Energy: 1.3158278971764439 Energy: 1.3152706760058448 Energy: 1.3489995964188817 Energy: 1.3650538339956306 Energy: 1.3489995964179842 Energy: 1.312662966848337 Energy: 1.3121911272011293 Energy: 1.3214165494997356 Energy: 1.3121911272001974 Energy: 1.17491779187276 Energy: 1.3188380226021965 Energy: 1.317113913619199 Energy: 1.3188380226012646 minimum gb energy = 1.1718824777075463 eV minimum distance = 2.3256090253081 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 2.1903957904074374 Energy: 2.1850390947556404 Energy: 1.982672553097705 Energy: 2.1081132566142813 Energy: 1.5858949977860806 Energy: 1.5632988556220548 Energy: 1.5547594390058552 Energy: 1.5632988556231786 Energy: 1.4617111183863167 Energy: 1.4700017697870567 Energy: 1.475905491965555 Energy: 1.4700017697859329 Energy: 1.4392924756272776 Energy: 1.4864075623419013 Energy: 1.399068811669767 Energy: 1.4864075623430255 Energy: 1.3854860950824244 Energy: 1.474098109761022 Energy: 1.4562335924585468 Energy: 1.474098109761022 Energy: 1.5458064500378312 Energy: 1.6423860703893631 Energy: 1.4985234611481137 Energy: 1.6423860703882391 Energy: 1.566302398526888 Energy: 1.5120341084552609 Energy: 1.9140834979302395 Energy: 1.512034108462006 Energy: 1.6831501646853995 Energy: 1.5364170091993765 Energy: 1.8878749950819675 Energy: 1.536417009201625 Energy: 1.6070020053747758 Energy: 1.6590675480777324 Energy: 1.6073089821726583 Energy: 1.659067548070987 Energy: 1.4729341049462086 Energy: 1.581856654125574 Energy: 1.4225002381162086 Energy: 1.5818566541233259 Energy: 1.5860601499710305 Energy: 1.4246797025780418 Energy: 1.3160054849646101 Energy: 1.424679702579166 Energy: 1.6468628901511546 Energy: 1.4749880921341705 Energy: 1.4580316637404995 Energy: 1.4749880921341705 Energy: 1.8904759390088999 Energy: 1.391618496133309 Energy: 1.4333694042374079 Energy: 1.3916184961321847 Energy: 1.9258372319350228 Energy: 1.531994702713644 Energy: 1.8001490052472378 Energy: 1.5319947027147682 Energy: 1.7185165626038408 Energy: 1.736136220966009 Energy: 1.8387312821343655 Energy: 1.736136220966009 Energy: 1.5883203376112112 Energy: 1.7089681600239595 Energy: 1.7166480333299632 Energy: 1.7089681600250834 Energy: 1.3084836853542352 Energy: 1.3052197050313223 Energy: 1.7725675809219803 Energy: 1.3052197050301981 Energy: 1.4128466125519767 Energy: 1.469154558043368 Energy: 1.8699431105292341 Energy: 1.469154558043368 Energy: 1.3588234935529098 Energy: 1.342404413655327 Energy: 1.9140777084233804 Energy: 1.3424044136530788 Energy: 1.5182329662285805 Energy: 1.883918758599346 Energy: 1.8254265388929458 Energy: 1.883918758599346 Energy: 1.6898548698284332 Energy: 1.7729550790096937 Energy: 1.9277115583510873 Energy: 1.7729550790096937 Energy: 1.8343534810273918 Energy: 1.4749136793837896 Energy: 1.844716618001349 Energy: 1.4749136793837896 Energy: 1.8160086919308227 Energy: 1.327277853540591 Energy: 1.373663689671199 Energy: 1.3272778535383425 Energy: 1.8626360981266747 Energy: 1.4906322956150193 Energy: 1.3914941813468908 Energy: 1.4906322956150193 Energy: 1.7383596777779966 Energy: 1.3005256182825404 Energy: 1.3207019385723828 Energy: 1.3005256182915337 Energy: 1.5842529555026834 Energy: 1.6544200006346108 Energy: 1.3690907104040746 Energy: 1.6544200006334866 Energy: 1.749263656461246 Energy: 1.5864287164802668 Energy: 1.8182030525390889 Energy: 1.5864287164802668 Energy: 1.7390260569674554 Energy: 1.4124393836566627 Energy: 1.9535611911362005 Energy: 1.4124393836521663 Energy: 1.4500297441311034 Energy: 1.4482081867537178 Energy: 1.8718272236767013 Energy: 1.4482081886751454 Energy: 1.4323814771128174 Energy: 1.49608247190354 Energy: 1.8532615249905973 Energy: 1.4960824719046644 Energy: 1.368794358561941 Energy: 1.4728803684026843 Energy: 1.6508961291687487 Energy: 1.4728803684026843 Energy: 1.3460950775035563 Energy: 1.4207766718498964 Energy: 1.5629213057320812 Energy: 1.4207766718498964 Energy: 1.4125916975883928 Energy: 1.5400576551216372 Energy: 1.553872645028705 Energy: 1.5400576551216372 Energy: 1.5846737870876484 Energy: 1.731136958926945 Energy: 1.63798186219283 Energy: 1.731136958926945 Energy: 1.831199089434665 Energy: 1.5516281021818872 Energy: 1.6775646969745626 Energy: 1.5516281021818872 minimum gb energy = 1.3005256182825404 eV minimum distance = 2.33716396015728 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 2.069705667505376 Energy: 2.149679157736003 Energy: 1.5671170007692896 Energy: 2.0157070155101593 Energy: 1.7632676852010254 Energy: 1.5829425133553183 Energy: 1.5372856606755494 Energy: 1.5829425133508594 Energy: 1.554773782526042 Energy: 1.5393578648983268 Energy: 1.5045110748472623 Energy: 1.5393578648983268 Energy: 1.4444821980353124 Energy: 1.4966886897156533 Energy: 1.4160151644380785 Energy: 1.4966886897181462 Energy: 1.4222842277735959 Energy: 1.5103836245418387 Energy: 1.474193265065716 Energy: 1.5103836245411295 Energy: 1.5101514109847434 Energy: 1.686744276093901 Energy: 1.5474128426821114 Energy: 1.6867442760946105 Energy: 1.5557716704445728 Energy: 1.5411109477799831 Energy: 1.9546201716136404 Energy: 1.5411109477799831 Energy: 1.7257923571176739 Energy: 1.5072484758120028 Energy: 1.9484469955108994 Energy: 1.507248475811638 Energy: 1.7332611660222432 Energy: 1.5200616293485691 Energy: 1.6750103604438673 Energy: 1.5200616293489138 Energy: 1.560939042921741 Energy: 1.638363594311463 Energy: 1.422094867033244 Energy: 1.638363594311463 Energy: 1.7046075144818227 Energy: 1.3856313179922748 Energy: 1.3233199241316294 Energy: 1.385631317992457 Energy: 1.6256199499990172 Energy: 1.45272503906848 Energy: 1.4577128781063178 Energy: 1.4527250390686623 Energy: 1.7068771364751731 Energy: 1.370431608121064 Energy: 1.389675091317459 Energy: 1.3704316081212464 Energy: 1.729066695803985 Energy: 1.3522987390221262 Energy: 1.8588852045518514 Energy: 1.3522987390221262 Energy: 1.996924218585557 Energy: 1.8091687073935978 Energy: 1.8230528208041354 Energy: 1.8091687073912874 Energy: 1.7022031866612672 Energy: 1.6989342705977386 Energy: 1.853491644489967 Energy: 1.698934270597212 Energy: 1.3514557096424102 Energy: 1.349228757020658 Energy: 1.8395523119809292 Energy: 1.3492287570208201 Energy: 1.4476399011457337 Energy: 1.463111018782656 Energy: 1.7467239278932438 Energy: 1.4631110187830003 Energy: 1.363625799924734 Energy: 1.3771275595826433 Energy: 1.69452949803945 Energy: 1.3771275595830081 Energy: 1.4245149753569404 Energy: 1.5909518771871227 Energy: 1.778421971806455 Energy: 1.5909518771874875 Energy: 1.8195863225284084 Energy: 1.4709280852479583 Energy: 1.7059133343755817 Energy: 1.4709280852497213 Energy: 1.9186277958027582 Energy: 1.5301381482634306 Energy: 1.787618320286606 Energy: 1.5301381482632481 minimum gb energy = 1.3233199241316294 eV minimum distance = 2.31787539525522 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 2.643079594911904 Energy: 2.1144220302088317 Energy: 1.8223095591997442 Energy: 2.021970179127456 Energy: 1.7974385826398223 Energy: 1.697274798097177 Energy: 1.5637487848131355 Energy: 1.697274798097177 Energy: 1.7529803892943412 Energy: 1.5943629433629831 Energy: 1.5815898712054577 Energy: 1.594362943361722 Energy: 1.491120936257794 Energy: 1.490369829250456 Energy: 1.4925243662632266 Energy: 1.4903698292491945 Energy: 1.470789022574441 Energy: 1.5224557630203626 Energy: 1.5207670601227772 Energy: 1.5224557630241462 Energy: 1.5431934499134072 Energy: 1.6158513962812344 Energy: 1.6785328754515905 Energy: 1.6158513962824954 Energy: 1.6548829598112844 Energy: 1.6478100632474975 Energy: 1.9477561761606434 Energy: 1.6478100632487587 Energy: 1.759369234266832 Energy: 1.6421484871300278 Energy: 1.906688274987198 Energy: 1.6421484871312888 Energy: 1.6309149691777542 Energy: 1.7768819300922234 Energy: 1.7437040917323745 Energy: 1.7768819300909622 Energy: 1.8214952585176851 Energy: 1.6892002902158052 Energy: 1.544892672277339 Energy: 1.6892002902158052 Energy: 1.623116269500022 Energy: 1.4734265822555401 Energy: 1.3805837787524582 Energy: 1.4734265822580628 Energy: 1.8242896554903307 Energy: 1.5333102649036332 Energy: 1.4590661697340226 Energy: 1.5333102648922827 Energy: 1.8328386478843188 Energy: 1.4216247919572034 Energy: 1.4798804701587494 Energy: 1.4216247919559424 Energy: 1.8688414990784201 Energy: 1.4513883101331193 Energy: 1.9317938803660128 Energy: 1.4513883101331193 Energy: 1.8353120849923237 Energy: 1.3463511595109454 Energy: 1.931692334749791 Energy: 1.3463511595122069 Energy: 1.5511702179616786 Energy: 2.0085164849306305 Energy: 1.9518868390749922 Energy: 2.0085164849281085 Energy: 1.5608334704306512 Energy: 1.3419415547413456 Energy: 1.9786798790574331 Energy: 1.3419415547413456 Energy: 1.610062770528177 Energy: 1.5990074015117024 Energy: 1.889581871569025 Energy: 1.5990074015117024 Energy: 1.5613891333712728 Energy: 1.6619344233258526 Energy: 1.4950673016240301 Energy: 1.661934423322069 Energy: 1.5949189764044114 Energy: 1.5567413908846102 Energy: 1.5827557517547677 Energy: 1.5567413908858714 Energy: 1.6606713394704542 Energy: 1.7015819572699031 Energy: 1.5247429156511918 Energy: 1.7015819572673803 Energy: 1.934599394362846 Energy: 1.6293559397777546 Energy: 1.5788698095186036 Energy: 1.6293559397777546 Energy: 1.9373092102101173 Energy: 1.7717789052017374 Energy: 1.8654727619959666 Energy: 1.7717789052017374 Energy: 1.6225256862146165 Energy: 1.7703123643823626 Energy: 1.8089336991386404 Energy: 1.7703123643811016 Energy: 1.6242715303876774 Energy: 1.6564835968952065 Energy: 1.8222398136201836 Energy: 1.6564835968952065 Energy: 1.412515326741749 Energy: 1.3676366411937146 Energy: 1.669586162402535 Energy: 1.3676366411937146 Energy: 1.490051668747922 Energy: 1.5343619174760907 Energy: 1.853714695895469 Energy: 1.5343619174760907 Energy: 1.4086162945045642 Energy: 1.411016858789085 Energy: 1.7945682124329283 Energy: 1.4110168587878238 Energy: 1.471968182506629 Energy: 1.81011224082637 Energy: 1.8129148727958266 Energy: 1.8101122408276311 Energy: 1.7958217673026835 Energy: 1.5558430073448821 Energy: 1.8205462883037757 Energy: 1.5558430073436205 Energy: 1.799433367416655 Energy: 1.579201937397646 Energy: 1.9177629802457883 Energy: 1.5792019373951236 minimum gb energy = 1.3419415547413456 eV minimum distance = 2.29865052455099 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.7359874938324844 Energy: 1.8911691316707502 Energy: 1.683472285979211 Energy: 1.6009366753565 Energy: 1.4790085804822224 Energy: 1.3601285782927908 Energy: 1.481616756775281 Energy: 1.360128578292376 Energy: 1.5835253910285791 Energy: 1.3875075550396305 Energy: 1.3846814165873402 Energy: 1.387507555037483 Energy: 1.4504015378548711 Energy: 1.2987152629082181 Energy: 1.2022051824509932 Energy: 1.2987152629099266 Energy: 1.3875751258383238 Energy: 1.452388152561919 Energy: 1.518670181444126 Energy: 1.452388152561919 Energy: 1.3642276670821514 Energy: 1.3649479024144298 Energy: 1.5187353369610341 Energy: 1.3649479024131361 Energy: 1.7428169282679729 Energy: 1.6538606629173902 Energy: 1.462058920304399 Energy: 1.6538606629152424 Energy: 1.4689397722209134 Energy: 1.37808508921026 Energy: 1.4143400192677547 Energy: 1.37808508921026 Energy: 1.516899277076919 Energy: 1.3645787915384688 Energy: 1.4998512847207048 Energy: 1.3645787915384688 minimum gb energy = 1.2022051824509932 eV minimum distance = 2.34070347237672 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 2.0159303373392983 Energy: 1.9038334137029194 Energy: 1.9002793082664182 Energy: 1.8701079677837817 Energy: 1.8717141468231504 Energy: 1.7570523625470107 Energy: 1.6910426206906364 Energy: 1.7570523625482022 Energy: 1.4936110131703506 Energy: 1.443457634405138 Energy: 1.6764649287476594 Energy: 1.443457634405138 Energy: 1.3024072556090442 Energy: 1.5676168933069394 Energy: 1.702336572942807 Energy: 1.567616893305748 Energy: 1.3418699113671508 Energy: 1.4379323163399376 Energy: 1.6031372838012976 Energy: 1.4379323163399376 Energy: 1.306190752230486 Energy: 1.4943727168593866 Energy: 1.554427906008532 Energy: 1.494372716858195 Energy: 1.2935141621892345 Energy: 1.5441806268853977 Energy: 1.5909607020015002 Energy: 1.5441806268853977 Energy: 1.4550451735791625 Energy: 1.543971471589601 Energy: 1.5109935701832167 Energy: 1.5439714715919837 Energy: 1.6324253163703417 Energy: 1.5573695395723208 Energy: 1.5339064312236674 Energy: 1.5573695395711293 Energy: 1.8954643713665154 Energy: 1.8493365139063638 Energy: 1.6330373133776344 Energy: 1.8493365139063638 Energy: 1.936209040472564 Energy: 1.579923790018721 Energy: 1.8778643524242957 Energy: 1.579923790018721 Energy: 1.8134606382301417 Energy: 1.574613074393712 Energy: 1.8806169658880232 Energy: 1.574613074393712 Energy: 1.6012897753560578 Energy: 1.5594576996268104 Energy: 1.9008199050552597 Energy: 1.5594576996351497 Energy: 1.5634506976634195 Energy: 1.5526964202814613 Energy: 1.6986167954995037 Energy: 1.5526964202814613 Energy: 1.556038566927546 Energy: 1.525518774166903 Energy: 1.2974806439327893 Energy: 1.5255187741680944 Energy: 1.4728560877306516 Energy: 1.5270581709918554 Energy: 1.3905835436686171 Energy: 1.5270581709918554 Energy: 1.5509205429813866 Energy: 1.5311569164865286 Energy: 1.3748795399613916 Energy: 1.531156916484146 Energy: 1.6225877111091473 Energy: 1.3528706993299962 Energy: 1.3303313578066815 Energy: 1.3528706993037871 Energy: 1.8492586907689308 Energy: 1.6330139209321837 Energy: 1.3635977197185587 Energy: 1.6330139209321837 Energy: 1.767100219408311 Energy: 1.5139847804521076 Energy: 1.7449751600137597 Energy: 1.5139847804532989 Energy: 1.7144608215208552 Energy: 1.7638359279224323 Energy: 1.8986954489935028 Energy: 1.76383592792958 Energy: 1.90586827715114 Energy: 1.7255176090983617 Energy: 1.9044697461381535 Energy: 1.7255176090971704 Energy: 1.87917544180689 Energy: 1.5182720527740992 Energy: 1.7832365246851851 Energy: 1.5182720527764821 Energy: 1.858618055163166 Energy: 1.469338211619477 Energy: 1.5080698861655415 Energy: 1.469338211619477 Energy: 1.7247346387380085 Energy: 1.3994968430089065 Energy: 1.3940625122728854 Energy: 1.399496843007715 Energy: 1.4320930511389547 Energy: 1.4796380708465506 Energy: 1.4365809795849636 Energy: 1.4796380708453594 Energy: 1.3605498305629322 Energy: 1.5244714063890286 Energy: 1.4799917703624055 Energy: 1.524471406387837 Energy: 1.3972596537978914 Energy: 1.508964231566704 Energy: 1.3911200207513765 Energy: 1.508964231566704 Energy: 1.432250680944233 Energy: 1.4792947735127209 Energy: 1.5464039269787198 Energy: 1.4792947735115294 Energy: 1.4214567921791512 Energy: 1.3777744710062472 Energy: 1.749285936956187 Energy: 1.3777744710085758 Energy: 1.5991761402958677 Energy: 1.4534034662566944 Energy: 1.7401183746484628 Energy: 1.4534034662471635 Energy: 1.786491266210655 Energy: 1.4274004979326347 Energy: 1.8126336405018215 Energy: 1.4274004979338257 Energy: 1.806485830015357 Energy: 1.8032848134397175 Energy: 1.895396323291077 Energy: 1.8032848134409085 minimum gb energy = 1.2935141621892345 eV minimum distance = 2.26003903113405 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 2.27449949896887 Energy: 1.8197567363224731 Energy: 1.6522255568911397 Energy: 1.6953974645790386 Energy: 1.6679772875515373 Energy: 1.6048614051542753 Energy: 1.600860721438859 Energy: 1.6048614051559225 Energy: 1.6449655421925224 Energy: 1.6024642393699735 Energy: 1.5750957518611701 Energy: 1.6024642393683264 Energy: 1.423131881091334 Energy: 1.4774901780702945 Energy: 1.496395068798528 Energy: 1.4774901780702945 Energy: 1.393956729468124 Energy: 1.4653581918999776 Energy: 1.5796784152399352 Energy: 1.4653581918999776 Energy: 1.4102151193999848 Energy: 1.3945037710600527 Energy: 1.629165250910216 Energy: 1.3945037710616628 Energy: 1.3684239597293584 Energy: 1.5935423460047393 Energy: 1.7598834393521177 Energy: 1.5935423460030922 Energy: 1.757405313072936 Energy: 1.3994852071175243 Energy: 1.6068548563959193 Energy: 1.3994852071175243 Energy: 1.7438666574409312 Energy: 1.5961068036497577 Energy: 1.5959057968754826 Energy: 1.5961068036481105 Energy: 1.8902223104449993 Energy: 1.7810358278982104 Energy: 1.7773762443150662 Energy: 1.7810358278982104 Energy: 1.736060816013325 Energy: 1.3966583331237956 Energy: 1.8004726369681627 Energy: 1.3966583331237956 Energy: 1.6264257422296533 Energy: 1.5652271711576478 Energy: 1.8803094191360206 Energy: 1.5652271711560002 Energy: 1.267906839769239 Energy: 1.565859237822427 Energy: 1.880172925467522 Energy: 1.565859237822427 Energy: 1.4669655294969872 Energy: 1.3152904145650952 Energy: 1.658019352374259 Energy: 1.315290414563448 Energy: 1.43930252498573 Energy: 1.6379205404095443 Energy: 1.5225077589037275 Energy: 1.637920540407897 Energy: 1.4467294014859102 Energy: 1.6222609080108108 Energy: 1.5396674550974776 Energy: 1.6222609080108108 Energy: 1.5256365522308988 Energy: 1.527179336895697 Energy: 1.415869333227584 Energy: 1.5271793368940496 Energy: 1.5801357774918379 Energy: 1.4236423423818338 Energy: 1.4042376452817724 Energy: 1.4236423423818338 Energy: 1.6898950169734577 Energy: 1.5857194836178308 Energy: 1.4047122168357722 Energy: 1.5857194836178308 Energy: 1.6670778326474864 Energy: 1.5255738586698888 Energy: 1.6793979621324808 Energy: 1.5255738586698888 Energy: 1.5392492336748131 Energy: 1.5393925653802674 Energy: 1.7645012598203298 Energy: 1.5393925653802674 Energy: 1.8126631932536836 Energy: 1.6246928520471657 Energy: 1.7550302556249917 Energy: 1.624692852048813 Energy: 1.8494061232711434 Energy: 1.6157436410293462 Energy: 1.8209779405221578 Energy: 1.6157436410293462 Energy: 1.8811183760745394 Energy: 1.5758948539673685 Energy: 1.5420534346594446 Energy: 1.5758948539673685 minimum gb energy = 1.267906839769239 eV minimum distance = 2.25113707028337 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 2.1272833399523314 Energy: 1.8855205359392198 Energy: 1.8111038223868496 Energy: 1.8289114399914566 Energy: 1.576888046413255 Energy: 1.7624111931615025 Energy: 1.7057565148578278 Energy: 1.7624111931625206 Energy: 1.4887159831384633 Energy: 1.3644117004990948 Energy: 1.6844895268247344 Energy: 1.364411700503167 Energy: 1.3441316605200626 Energy: 1.4929472132167745 Energy: 1.7174869608716743 Energy: 1.4929472132177926 Energy: 1.3611493110130333 Energy: 1.3397580122331425 Energy: 1.546899310256359 Energy: 1.3397580122351787 Energy: 1.3422443508853676 Energy: 1.4803180201581034 Energy: 1.4056342428561488 Energy: 1.4803180201601398 Energy: 1.347022304615556 Energy: 1.4768019252420765 Energy: 1.4731529215105965 Energy: 1.476801925239022 Energy: 1.5542867963322218 Energy: 1.5288582752507545 Energy: 1.352082840667669 Energy: 1.5288582752639894 Energy: 1.602033037581339 Energy: 1.3329018845332619 Energy: 1.322078016499967 Energy: 1.3329018845312257 Energy: 1.764560309381106 Energy: 1.4853246928126331 Energy: 1.348789748258934 Energy: 1.4853246928116153 Energy: 1.7247676564733654 Energy: 1.415203257712477 Energy: 1.571891976850191 Energy: 1.4152032577134952 Energy: 1.674778062369447 Energy: 1.712919709865751 Energy: 1.878529864413939 Energy: 1.7129197098637143 Energy: 1.8680841025165291 Energy: 1.7109527383207563 Energy: 1.9056302840489785 Energy: 1.7109527383207563 Energy: 1.8272780417669072 Energy: 1.4336849267308955 Energy: 1.734583186120105 Energy: 1.4336849267319138 Energy: 1.7718566793215857 Energy: 1.5672061658479204 Energy: 1.6068653128554098 Energy: 1.5672061658489385 Energy: 1.8292595446086162 Energy: 1.3317709999839136 Energy: 1.4175748535136568 Energy: 1.3317709999839136 Energy: 1.4861695027708768 Energy: 1.52612778915954 Energy: 1.4584854571866448 Energy: 1.526127789160558 Energy: 1.2799723299664132 Energy: 1.5212117350103542 Energy: 1.5105293511574363 Energy: 1.5212117350093362 Energy: 1.34386760704579 Energy: 1.4884766755070726 Energy: 1.4856171117780461 Energy: 1.4884766755060548 Energy: 1.3471258690679684 Energy: 1.4566163038009026 Energy: 1.6086106753519323 Energy: 1.4566163037998847 Energy: 1.3455712545017473 Energy: 1.5355777340983263 Energy: 1.6261539727525902 Energy: 1.53557773409629 Energy: 1.3473028990132503 Energy: 1.5332482805027987 Energy: 1.6724624469696185 Energy: 1.5332482805027987 Energy: 1.4880765887975673 Energy: 1.6110346389260994 Energy: 1.6141790137970762 Energy: 1.6110346389240635 Energy: 1.8199440951273618 Energy: 1.5984490420362205 Energy: 1.6008158269890205 Energy: 1.5984490420362205 Energy: 1.793159305758115 Energy: 1.5381414507474325 Energy: 1.731648748568413 Energy: 1.5381414507494686 Energy: 1.7848111344775817 Energy: 1.6377371021865939 Energy: 1.9006120579058703 Energy: 1.6377371021855758 Energy: 1.6643398467725248 Energy: 1.6815578282483328 Energy: 2.099690106737442 Energy: 1.6815578282483328 Energy: 1.5392401337036792 Energy: 1.5397791288491076 Energy: 1.7059403857501596 Energy: 1.5397791288491076 Energy: 1.5612980517860657 Energy: 1.524411762398444 Energy: 1.6036695049052845 Energy: 1.524411762397426 Energy: 1.6410866099895256 Energy: 1.5188731547703687 Energy: 1.2741549433297563 Energy: 1.518873154771387 Energy: 1.6384140435203753 Energy: 1.2744469825678229 Energy: 1.296993899538334 Energy: 1.2744469825678229 Energy: 1.6163452138993024 Energy: 1.438167621604277 Energy: 1.30152654064757 Energy: 1.4381676216012225 Energy: 1.5265722106277186 Energy: 1.5039702704334708 Energy: 1.2910431078391824 Energy: 1.5039702704324522 Energy: 1.4505639349507693 Energy: 1.5195119648772544 Energy: 1.5626548474253354 Energy: 1.5195119648772544 Energy: 1.405328434958271 Energy: 1.4202195888996112 Energy: 1.6125506891614336 Energy: 1.4202195889006293 Energy: 1.5097947461646233 Energy: 1.5050043893590583 Energy: 2.0291776628665454 Energy: 1.505004389356004 Energy: 1.736486064349745 Energy: 1.373860155607758 Energy: 1.8766468500900317 Energy: 1.3738601556067396 Energy: 1.8339871299447414 Energy: 1.726776174735827 Energy: 1.736752606695906 Energy: 1.7267761747541528 minimum gb energy = 1.2741549433297563 eV minimum distance = 2.27276383144128 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 2.241245816193275 Energy: 1.6070575626076136 Energy: 1.523678822623018 Energy: 1.5583886879318076 Energy: 1.7621205225519476 Energy: 1.4459369366791648 Energy: 1.4344979270953744 Energy: 1.4459369366804966 Energy: 1.354557365463254 Energy: 1.353304131990028 Energy: 1.37180853525274 Energy: 1.3533041319903005 Energy: 1.2323242505426104 Energy: 1.4929241187362408 Energy: 1.4252980232448926 Energy: 1.4929241187356956 Energy: 1.3033717097391357 Energy: 1.3207341622908784 Energy: 1.3723027224100788 Energy: 1.3207341622906363 Energy: 1.3049422870131995 Energy: 1.4198511198753212 Energy: 1.3831126760052859 Energy: 1.419851119875079 Energy: 1.2929938182162384 Energy: 1.4114475546578298 Energy: 1.446480905107641 Energy: 1.4114475546578298 Energy: 1.3747214450676444 Energy: 1.4783700591443711 Energy: 1.3011570008203055 Energy: 1.4783700591438262 Energy: 1.5217765089770574 Energy: 1.296837621194531 Energy: 1.2831011022135415 Energy: 1.2968376211948032 Energy: 1.690590055795284 Energy: 1.3121717318212467 Energy: 1.3231666905738013 Energy: 1.3121717318210047 Energy: 1.6548825147208122 Energy: 1.3763191506747572 Energy: 1.4161374772777366 Energy: 1.3763191506742123 Energy: 1.5434151447246454 Energy: 1.5516782231887885 Energy: 1.6237486407597583 Energy: 1.5516782231880013 Energy: 1.5558126617266632 Energy: 1.5535119139926947 Energy: 1.6172945893093087 Energy: 1.5535119139926947 Energy: 1.92869314638726 Energy: 1.4722618737698987 Energy: 1.4233516647503774 Energy: 1.4722618737701711 Energy: 1.6963991446355402 Energy: 1.319753429958984 Energy: 1.4274595079278487 Energy: 1.3197534299573797 minimum gb energy = 1.2323242505426104 eV minimum distance = 2.32336130389977 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 1.7544846551306912 Energy: 1.6033981532454358 Energy: 1.54075086695152 Energy: 1.5209789825820352 Energy: 1.562285715271753 Energy: 1.4321776740432939 Energy: 1.282046395016594 Energy: 1.4321776740421774 Energy: 1.3716759710426532 Energy: 1.3049881441843867 Energy: 1.508916147061858 Energy: 1.3049881441832702 Energy: 1.2351377915863875 Energy: 1.4466820661102735 Energy: 1.4313374733824447 Energy: 1.44668206611139 Energy: 1.3191390732340667 Energy: 1.3965380842103488 Energy: 1.4487205604490432 Energy: 1.3965380842103488 Energy: 1.3159691107482558 Energy: 1.3738497833394854 Energy: 1.3045780970147 Energy: 1.3738497833394854 Energy: 1.4220866804823276 Energy: 1.3673607986093774 Energy: 1.3341918107795296 Energy: 1.3673607986104936 Energy: 1.4244979679412852 Energy: 1.4861737278425744 Energy: 1.2895005223913534 Energy: 1.4861737278403417 Energy: 1.4299447020965248 Energy: 1.3165135641432026 Energy: 1.2122191384799965 Energy: 1.3165135641432026 Energy: 1.3747290335498037 Energy: 1.3217208322925031 Energy: 1.2193893093220907 Energy: 1.3217208322925031 Energy: 1.2961998758035418 Energy: 1.5613867743069438 Energy: 1.502032922178763 Energy: 1.5613867743069438 Energy: 1.28716088066411 Energy: 1.376831541088626 Energy: 1.5043881511613513 Energy: 1.3768315410908083 Energy: 1.3527905792691792 Energy: 1.3791416431055576 Energy: 1.4984007744676688 Energy: 1.3791416431077907 Energy: 1.3657840367315603 Energy: 1.3800479389074678 Energy: 1.6235039385037753 Energy: 1.3800479389074678 Energy: 1.6590383146841723 Energy: 1.6513901296008833 Energy: 1.468413304731019 Energy: 1.6513901296019997 Energy: 1.6721993794894812 Energy: 1.499664821559695 Energy: 1.6550874515587648 Energy: 1.499664821559695 Energy: 1.3697693090945107 Energy: 1.3776837775745436 Energy: 1.8707836302800827 Energy: 1.3776837775723108 Energy: 1.3506914538294135 Energy: 1.4006998612901953 Energy: 1.5091540103031058 Energy: 1.4006998612890789 Energy: 1.2861848075064144 Energy: 1.359751797880015 Energy: 1.6924187195970999 Energy: 1.359751797877782 Energy: 1.2829479798303833 Energy: 1.3099987890021854 Energy: 1.730269701397815 Energy: 1.3099987890033018 Energy: 1.757221405317578 Energy: 1.4453250283506607 Energy: 1.2058569254234337 Energy: 1.4453250283517776 Energy: 1.3220725530980266 Energy: 1.3111813263860717 Energy: 1.3220802216943153 Energy: 1.3111813263838386 Energy: 1.3088863423125952 Energy: 1.3843984546697217 Energy: 1.2994597918782913 Energy: 1.3843984546697217 Energy: 1.2733966566341286 Energy: 1.367106792562884 Energy: 1.3497406670051908 Energy: 1.367106792562884 Energy: 1.2136868204344933 Energy: 1.3651034047421464 Energy: 1.4247685467825109 Energy: 1.3651034047421464 Energy: 1.2249776120586766 Energy: 1.3223591492923354 Energy: 1.4264941625688947 Energy: 1.3223591492923354 Energy: 1.2048833475339749 Energy: 1.3099752925138723 Energy: 1.5889961841488518 Energy: 1.3099752925138723 Energy: 1.4997633376971633 Energy: 1.5035509076611957 Energy: 1.2978570718454399 Energy: 1.503550907660079 Energy: 1.3511891130309932 Energy: 1.3749667297902288 Energy: 1.2793686794706414 Energy: 1.3749667297902288 Energy: 1.405187772208457 Energy: 1.4142875617345605 Energy: 1.3504680548378614 Energy: 1.4142875617334436 Energy: 1.6267454484200117 Energy: 1.3819711642711996 Energy: 1.3652630717013707 Energy: 1.3819711642711996 Energy: 1.5690390148944433 Energy: 1.5005693255723158 Energy: 1.6601605332507579 Energy: 1.5005693255611503 Energy: 1.477173867489605 Energy: 1.6521256904095536 Energy: 1.6720970197400682 Energy: 1.6521256904095536 Energy: 1.8691617090783994 Energy: 1.5070523103624947 Energy: 1.3652967984425286 Energy: 1.5070523103624947 Energy: 1.6529837764477593 Energy: 1.3338294615910506 Energy: 1.3529257912979837 Energy: 1.3338294615910506 minimum gb energy = 1.2048833475339749 eV minimum distance = 2.2989186277504 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 1.8517699296953112 Energy: 1.5231462148638284 Energy: 1.467836234426048 Energy: 1.4468037324328868 Energy: 1.6273318225647349 Energy: 1.347354828970801 Energy: 1.2540366321001615 Energy: 1.347354828969644 Energy: 1.3135934330196077 Energy: 1.266936009114055 Energy: 1.3475539642960765 Energy: 1.2669360091136839 Energy: 1.2694115336206513 Energy: 1.3903150169467313 Energy: 1.3313118786354525 Energy: 1.3903150169469278 Energy: 1.2996403647727428 Energy: 1.2492818687685068 Energy: 1.5000785302728321 Energy: 1.2492818687671536 Energy: 1.208061478336213 Energy: 1.3532789421053377 Energy: 1.2415921901528308 Energy: 1.3532789421051412 Energy: 1.2001330405885813 Energy: 1.280072325488577 Energy: 1.2464546794605604 Energy: 1.280072325488184 Energy: 1.353533223950884 Energy: 1.4040216948388144 Energy: 1.2026679600794623 Energy: 1.4040216948388144 Energy: 1.318787307819181 Energy: 1.2720257549432579 Energy: 1.220001513029061 Energy: 1.2720257549428646 Energy: 1.2207151194644361 Energy: 1.2788518934257582 Energy: 1.2450393251227985 Energy: 1.278851893425933 Energy: 1.1805568886421558 Energy: 1.39308844126137 Energy: 1.318426583340787 Energy: 1.3930884412600166 Energy: 1.2579372799805644 Energy: 1.2929873440258022 Energy: 1.3461940502951832 Energy: 1.2929873440252129 Energy: 1.233839196657653 Energy: 1.2816708367117453 Energy: 1.2730479433111388 Energy: 1.2816708367115706 Energy: 1.4225680784425014 Energy: 1.4036232095157504 Energy: 1.330475233453856 Energy: 1.4036232095155539 Energy: 1.2504813371420627 Energy: 1.3891113793523717 Energy: 1.263325794227026 Energy: 1.389111379352743 Energy: 1.545113473166304 Energy: 1.3406863164218814 Energy: 1.3001392698877603 Energy: 1.3406863164222742 Energy: 1.453148036445165 Energy: 1.3936999871442766 Energy: 1.746006280418097 Energy: 1.393699987144451 Energy: 1.4886578763071914 Energy: 1.4085712002670192 Energy: 1.53411415642584 Energy: 1.4085712002670192 Energy: 1.3131711535261135 Energy: 1.2664943262993957 Energy: 1.3954745791527465 Energy: 1.2664943262991994 Energy: 1.6082015522219422 Energy: 1.3434586422141641 Energy: 1.2998804734186262 Energy: 1.3434586422141641 minimum gb energy = 1.1805568886421558 eV minimum distance = 2.30952542719879 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 1.9898447997187532 Energy: 1.43888289692819 Energy: 1.4250735536822703 Energy: 1.3020100530275691 Energy: 1.4508276661942 Energy: 1.174573084824242 Energy: 1.2999626551579564 Energy: 1.174573084818276 Energy: 1.3166724085068586 Energy: 1.2540732797741152 Energy: 1.287310654888526 Energy: 1.2540732797756153 Energy: 1.226343076803907 Energy: 1.2703025610683634 Energy: 1.1589106827522169 Energy: 1.2703025610668632 Energy: 1.157950085716694 Energy: 1.3125574591868072 Energy: 1.4016320470616686 Energy: 1.3125574591868072 Energy: 1.1620389670763032 Energy: 1.1733911676492 Energy: 1.3185660752310957 Energy: 1.1733911676492 Energy: 1.1589151597662708 Energy: 1.1368626740295902 Energy: 1.178740535234484 Energy: 1.1368626740310903 Energy: 1.2405338038944178 Energy: 1.2139767588627806 Energy: 1.1189720675484696 Energy: 1.2139767588627806 Energy: 1.1736917382409404 Energy: 1.1543814539995494 Energy: 1.1299299578503614 Energy: 1.1543814539995494 Energy: 1.1462637236589661 Energy: 1.161117840656201 Energy: 1.1774905389212922 Energy: 1.161117840656201 Energy: 1.070157457535896 Energy: 1.3985160178978613 Energy: 1.2012231094674886 Energy: 1.3985160178993614 Energy: 1.1335055831813146 Energy: 1.1749186123878153 Energy: 1.0899528210489062 Energy: 1.1749186123878153 Energy: 1.189468447511454 Energy: 1.1194183334009278 Energy: 1.0887819678350625 Energy: 1.119418333397928 Energy: 1.1868065926736744 Energy: 1.2636375750596134 Energy: 1.06182998170508 Energy: 1.2636375750611133 Energy: 1.1311449443812203 Energy: 1.1213423156477391 Energy: 1.2267616744027554 Energy: 1.121342315649239 Energy: 1.1292576156008576 Energy: 1.213168071313543 Energy: 1.233177285152062 Energy: 1.213168071313543 Energy: 1.0975562374742824 Energy: 1.285008910743661 Energy: 1.2526379423086664 Energy: 1.285008910743661 Energy: 1.1652755829471235 Energy: 1.1643786155471119 Energy: 1.1798678923817916 Energy: 1.164378615548612 Energy: 1.2582648924280682 Energy: 1.204726721790587 Energy: 1.2202969395172067 Energy: 1.204726721790587 Energy: 1.304974144781343 Energy: 1.1593063517588553 Energy: 1.1924453476828105 Energy: 1.1593063517603552 Energy: 1.8422555004170496 Energy: 1.2722290850304563 Energy: 1.311526865570019 Energy: 1.2722290850289564 Energy: 1.2739087242069078 Energy: 1.172051831829458 Energy: 1.3218339222339137 Energy: 1.172051831829458 Energy: 1.3563567926628284 Energy: 1.2962202501412687 Energy: 1.4800597949373044 Energy: 1.2962202501397686 Energy: 1.3350813477301617 Energy: 1.4448576910967081 Energy: 1.2617964525975471 Energy: 1.444857691095208 Energy: 1.3083626512706958 Energy: 1.1737270796703245 Energy: 1.4724657965295544 Energy: 1.1737270796733243 Energy: 1.3322557690899002 Energy: 1.233818570229224 Energy: 1.3167555040017989 Energy: 1.233818570229224 minimum gb energy = 1.06182998170508 eV minimum distance = 2.31652949314604 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 2.038702001765839 Energy: 1.2426253208391553 Energy: 1.2731806151778613 Energy: 1.2006327430857764 Energy: 1.3524360509607534 Energy: 1.2130329913183782 Energy: 1.168596356858313 Energy: 1.2130329913196078 Energy: 1.178075140871388 Energy: 1.1502627791986304 Energy: 1.2337534263721672 Energy: 1.1502627791986304 Energy: 1.1218517096100136 Energy: 1.1646029755128893 Energy: 1.1686490753405696 Energy: 1.1646029755128893 Energy: 1.1407336267778947 Energy: 1.172777595025857 Energy: 1.2740206555514964 Energy: 1.1727775950221677 Energy: 1.1087834840040471 Energy: 1.0911112788236184 Energy: 1.1932935560841331 Energy: 1.0911112788223885 Energy: 1.118483055656064 Energy: 1.05358949374026 Energy: 1.0957101753987286 Energy: 1.0535894937390304 Energy: 1.1829750453918646 Energy: 1.1075764512394226 Energy: 1.0809361417456542 Energy: 1.1075764512394226 Energy: 1.0335235273510734 Energy: 1.0495096027743296 Energy: 1.0652609142233262 Energy: 1.0495096027755595 Energy: 1.0564263840873407 Energy: 1.053719924474361 Energy: 1.100516430806648 Energy: 1.053719924474361 Energy: 1.0199119812679802 Energy: 1.0657223833868283 Energy: 1.1798640807422993 Energy: 1.065722383388058 Energy: 1.0392544061442386 Energy: 1.0143709685545155 Energy: 1.0339552381627228 Energy: 1.014370968553286 Energy: 1.1226189337122954 Energy: 1.0437111675170114 Energy: 1.0573235219478663 Energy: 1.0437111675170114 Energy: 1.091586413590407 Energy: 1.0886278216356016 Energy: 0.9949001549996294 Energy: 1.0886278216356016 Energy: 1.0912639864831009 Energy: 1.0286622437548272 Energy: 1.0521059746854011 Energy: 1.0286622437535975 Energy: 1.0171502543745625 Energy: 1.1571299535854676 Energy: 1.0894748521835718 Energy: 1.1571299535866975 Energy: 0.9929682011949837 Energy: 1.1344727447747247 Energy: 1.1388724979532148 Energy: 1.1344727447747247 Energy: 1.1023362444830025 Energy: 1.039989177894277 Energy: 1.0871942176366614 Energy: 1.0399891778955066 Energy: 1.1243480319082908 Energy: 1.0466115891666734 Energy: 1.044630450070132 Energy: 1.0466115891703627 Energy: 1.1317230176598412 Energy: 1.1135726300203481 Energy: 1.012868124757725 Energy: 1.1135726300203481 Energy: 1.0896942547283206 Energy: 1.0516800287924384 Energy: 1.122312529509533 Energy: 1.0516800287924384 Energy: 1.0932262798689574 Energy: 1.0708852467272372 Energy: 1.181693890139177 Energy: 1.070885246675615 Energy: 1.0368521131780537 Energy: 1.1059845441587859 Energy: 1.1396863469626546 Energy: 1.105984544157556 Energy: 1.0837714456740393 Energy: 1.1093254869913853 Energy: 1.1387469388598408 Energy: 1.1093254869913853 Energy: 1.1825675431665468 Energy: 1.110313400738352 Energy: 1.2133984269086264 Energy: 1.110313400738352 Energy: 1.2341655522293564 Energy: 1.177785356124707 Energy: 1.138387642285169 Energy: 1.1777853561259368 Energy: 1.2033195471185367 Energy: 1.172195591673307 Energy: 1.222583868923967 Energy: 1.172195591673307 Energy: 1.1836465802276894 Energy: 1.1330762761752684 Energy: 1.222659056805825 Energy: 1.1330762761777278 Energy: 1.168586999040123 Energy: 1.1881608491239792 Energy: 1.2516169874138043 Energy: 1.1881608491227493 Energy: 1.1794379215227864 Energy: 1.196290590134516 Energy: 1.208848997727713 Energy: 1.196290590135746 Energy: 1.3530316132219977 Energy: 1.0838199203813195 Energy: 1.2226682717646409 Energy: 1.0838199203776302 Energy: 1.288292498011067 Energy: 1.1767992929940883 Energy: 1.2213107238482332 Energy: 1.1767992929940883 minimum gb energy = 0.9929682011949837 eV minimum distance = 2.3074918624398 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 1.8604135468934124 Energy: 1.1457134769258652 Energy: 1.1666008971230413 Energy: 1.1732273657591235 Energy: 1.2683821072536843 Energy: 1.173608284407109 Energy: 1.1647293010663302 Energy: 1.173608284408151 Energy: 1.126686272694763 Energy: 1.060776064673862 Energy: 1.161794685525014 Energy: 1.0607760646728202 Energy: 1.0681825261319637 Energy: 1.0802333011921381 Energy: 1.1409198150256405 Energy: 1.0802333011931797 Energy: 1.114671929861745 Energy: 1.0770702863199546 Energy: 1.1773962358518393 Energy: 1.0770702863199546 Energy: 1.0754337203591913 Energy: 1.0107213977154366 Energy: 1.1039396689908543 Energy: 1.0107213977143945 Energy: 1.0635267408000884 Energy: 1.0237663397201269 Energy: 1.0190505098121698 Energy: 1.0237663397201269 Energy: 1.0880704808555335 Energy: 1.054117041864597 Energy: 1.0768455578166145 Energy: 1.0541170418656387 Energy: 1.0457855357865238 Energy: 0.9652769092176094 Energy: 1.019768270754291 Energy: 0.9652769092144842 Energy: 0.9829935332827159 Energy: 0.9733847138263283 Energy: 1.0956297037266298 Energy: 0.9733847138263283 Energy: 0.9844863370614316 Energy: 0.9876041520759725 Energy: 1.084371026303076 Energy: 0.987604152078056 Energy: 1.066450428239906 Energy: 0.9594096766280406 Energy: 1.0209337854269478 Energy: 0.9594096766280406 Energy: 1.0336888819920278 Energy: 0.9615332929545447 Energy: 0.9824462801178053 Energy: 0.961533292953503 Energy: 1.079465222899468 Energy: 0.9816147588260128 Energy: 0.9563367214776998 Energy: 0.9816147588270545 Energy: 1.0030801606969255 Energy: 0.9855734419458685 Energy: 1.0531168728735076 Energy: 0.9855734419469103 Energy: 0.9849059282318727 Energy: 1.0162256226702144 Energy: 1.0357669351732384 Energy: 1.0162256226722977 Energy: 0.9394826743431293 Energy: 0.9630013296304467 Energy: 1.0136718577257557 Energy: 0.9630013296325302 Energy: 1.1519297363412018 Energy: 0.9494677981641904 Energy: 1.0222343928026902 Energy: 0.9494677981652322 Energy: 1.0137976396605393 Energy: 0.9814825380368615 Energy: 0.9208945170864273 Energy: 0.9814825380337834 Energy: 1.038287133898101 Energy: 1.0183703449447463 Energy: 0.9289733843686007 Energy: 1.0183703449426627 Energy: 1.0239469119007119 Energy: 0.9817814464559468 Energy: 1.004429908618438 Energy: 0.9817814464569885 Energy: 0.9746503249646502 Energy: 0.9976606487145816 Energy: 1.0411895065910663 Energy: 0.9976606487166653 Energy: 0.9555118098237299 Energy: 1.0169607880015001 Energy: 1.0974405247852779 Energy: 1.0169607880035836 Energy: 1.0703263745909326 Energy: 0.9847983797897415 Energy: 1.013650606626331 Energy: 0.9847983797897415 Energy: 1.0831773646526583 Energy: 0.9546809240545016 Energy: 1.0033154351225162 Energy: 0.9546809240565851 Energy: 1.0545105596833972 Energy: 0.973835064274388 Energy: 0.9607767842015922 Energy: 0.9738350642723045 Energy: 1.086827701188177 Energy: 0.9566894511994557 Energy: 1.0407778542985149 Energy: 0.9566894511994557 Energy: 1.0853966649116067 Energy: 0.9968766448707184 Energy: 1.0883719352081447 Energy: 0.9968766448696766 Energy: 1.0169813749921923 Energy: 1.010473257996717 Energy: 1.092155544074257 Energy: 1.010473257996717 Energy: 1.0519520277046792 Energy: 1.0136529125111264 Energy: 1.052676910612968 Energy: 1.0136529125111264 Energy: 1.0956086482825027 Energy: 1.1031927684107656 Energy: 1.1414547574648466 Energy: 1.1031927684118075 Energy: 1.1237057845107938 Energy: 1.1121150020154464 Energy: 1.0698193161989038 Energy: 1.1121150020133628 Energy: 1.0816734429870576 Energy: 1.0824594385512283 Energy: 1.1393050232203803 Energy: 1.082459438556437 Energy: 1.0455807111755713 Energy: 1.126621414338554 Energy: 1.3206416568406971 Energy: 1.126621414338554 Energy: 1.1803518116201694 Energy: 1.1722488098472965 Energy: 1.2330939764649385 Energy: 1.1722488098472965 Energy: 1.1219518962490114 Energy: 1.1030645581655654 Energy: 1.1627964693001114 Energy: 1.1030645581541056 Energy: 1.2029072524862492 Energy: 1.0662766144557052 Energy: 1.1182569140451548 Energy: 1.0662766144567468 minimum gb energy = 0.9208945170864273 eV minimum distance = 2.33115450299895 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 1.8595847104585834 Energy: 1.0306748496447642 Energy: 1.0994080603486254 Energy: 0.9789226498547196 Energy: 1.0704345835033473 Energy: 0.9823485083393882 Energy: 0.935619657908785 Energy: 0.9823485083402917 Energy: 0.9715577076620207 Energy: 0.9749771091827607 Energy: 1.0047080337798926 Energy: 0.9749771091827607 Energy: 0.9255513292007636 Energy: 0.9664493365398398 Energy: 1.0119357423540778 Energy: 0.966449336538936 Energy: 0.9235212201953534 Energy: 0.9693061454306203 Energy: 1.0423808173775395 Energy: 0.9693061454297167 Energy: 0.9591688838000869 Energy: 0.9039954934737708 Energy: 0.9338705484024314 Energy: 0.9039954934728673 Energy: 0.939285124646968 Energy: 0.9029936314014566 Energy: 0.896825875350457 Energy: 0.9029936314014566 Energy: 0.9809600524240769 Energy: 0.9668944703032406 Energy: 0.9491173732216349 Energy: 0.9668944703032406 Energy: 0.8972177474184478 Energy: 0.8621619293553158 Energy: 0.9474931000561858 Energy: 0.8621619293562193 Energy: 0.8926008147667792 Energy: 0.8739047900738107 Energy: 0.9320021539492186 Energy: 0.8739047900738107 Energy: 0.9204992083801228 Energy: 0.8637314034724747 Energy: 0.938109098825339 Energy: 0.8637314034715712 Energy: 0.9276632867327295 Energy: 0.8680922767478664 Energy: 0.9203521152144467 Energy: 0.8680922767496735 Energy: 0.9522704883533162 Energy: 0.8477856911513838 Energy: 0.8954690331518539 Energy: 0.8477856911504801 Energy: 0.945416018754896 Energy: 0.834021976958577 Energy: 0.8992871249086557 Energy: 0.83402197695677 Energy: 0.9155137934522926 Energy: 0.8923848777080253 Energy: 0.9338565144097299 Energy: 0.8923848777071218 Energy: 0.9119412847932569 Energy: 0.9109974657706935 Energy: 0.9273003079446615 Energy: 0.91099746576979 Energy: 0.8851196969619566 Energy: 0.8779383498497566 Energy: 0.9250222078529897 Energy: 0.877938349848853 Energy: 1.1482483549077274 Energy: 0.8756468691505556 Energy: 0.9505321714726322 Energy: 0.8756468691496521 Energy: 0.9453100961803423 Energy: 0.8406925425449838 Energy: 0.8569882558862776 Energy: 0.8406925425440803 Energy: 0.9697733845591371 Energy: 0.8504279153766101 Energy: 0.8860549096814361 Energy: 0.8504279153766101 Energy: 0.9601857880800799 Energy: 0.8774975738126369 Energy: 0.9612702432538335 Energy: 0.8774975738126369 Energy: 0.8584951302338283 Energy: 0.8475887930915583 Energy: 0.967676228534414 Energy: 0.8475887930960759 Energy: 0.946375771470528 Energy: 0.8711560291672139 Energy: 0.9845960433320552 Energy: 0.8711560291672139 Energy: 0.9384385924410302 Energy: 0.8867388933633241 Energy: 0.9230942934603446 Energy: 0.8867388933633241 Energy: 0.9589618771314666 Energy: 0.9448102882842102 Energy: 0.8677903010096886 Energy: 0.9448102882814996 Energy: 0.9272879110779979 Energy: 0.864685058715089 Energy: 0.9355471311466639 Energy: 0.864685058715089 Energy: 0.9214192998385955 Energy: 0.8868836836855032 Energy: 0.9620353643576428 Energy: 0.8868836836845997 Energy: 0.8788007551727248 Energy: 0.9078887131151776 Energy: 0.9453585186809162 Energy: 0.9078887131142741 Energy: 0.922745433828933 Energy: 0.8637523162508481 Energy: 0.9450124122214083 Energy: 0.8637523162508481 Energy: 0.8989892635131445 Energy: 0.879820893467271 Energy: 0.9422494946364213 Energy: 0.8798208934663675 Energy: 0.9385463661353441 Energy: 0.9281489790495173 Energy: 0.9033799584822462 Energy: 0.9281489790486138 Energy: 0.9328948704561026 Energy: 0.8613614355972647 Energy: 0.9231164284655095 Energy: 0.8613614355972647 Energy: 0.9705996198600995 Energy: 0.8082791559986439 Energy: 0.9367282173422785 Energy: 0.8082791559986439 Energy: 0.865180720854758 Energy: 0.8748007462001197 Energy: 0.9370952930948568 Energy: 0.8748007462019268 Energy: 0.9196242018458554 Energy: 0.913888835706428 Energy: 0.9297374833671781 Energy: 0.913888835706428 Energy: 0.9348529675325433 Energy: 0.8940630183497019 Energy: 0.9378570334261608 Energy: 0.8940630183506054 Energy: 0.9696516575222477 Energy: 1.006088086564538 Energy: 0.990217160582514 Energy: 1.0060880865654418 Energy: 0.9867629059649139 Energy: 0.9616397395403881 Energy: 0.9900426474763696 Energy: 0.9616397395403881 Energy: 0.969636772384559 Energy: 0.9636268397217691 Energy: 0.9728949710821279 Energy: 0.9636268397253832 Energy: 0.9009805180235718 Energy: 0.9035972851867407 Energy: 1.0751029495023272 Energy: 0.9035972851867407 Energy: 1.105094196662665 Energy: 0.9783203451345557 Energy: 1.0222422673235725 Energy: 0.9783203451354592 Energy: 1.0083515689336995 Energy: 1.011401711341545 Energy: 1.009239291128385 Energy: 1.0114017113424485 Energy: 1.0031662810178559 Energy: 0.9092610533661913 Energy: 1.009936328624964 Energy: 0.9092610533788409 minimum gb energy = 0.8082791559986439 eV minimum distance = 2.30087946541 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.014279750045321284 Energy: 0.11589902950007644 Energy: 0.8727895501994347 Energy: 0.014386471091659388 Energy: 0.07604661632402308 Energy: 0.11598576524305336 Energy: 0.07653930830285355 Energy: 0.11598576524235875 Energy: 0.07695601727407629 Energy: 0.11601258291934635 Energy: 0.014909075653362587 Energy: 0.11601258292004095 Energy: 0.07430080378176081 Energy: 0.1166219412497205 Energy: 0.016120012994506838 Energy: 0.1166219412497205 Energy: 0.07565421128924782 Energy: 0.11588689287977458 Energy: 0.07479994488526343 Energy: 0.11588689287908 Energy: 0.01505313877472745 Energy: 0.11591139951318838 Energy: 0.07451069117991521 Energy: 0.11591139951453898 minimum gb energy = 0.014279750045321284 eV minimum distance = 2.47510270412525 Angstroms sigma value = 1