Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Mo Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562 cohesive_energy=6.8105355844189335 mass=95.95 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 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: 0.0174052486313425 Energy: 0.01868104018527772 Energy: 1.4262772101191756 Energy: 0.018681040184863787 Energy: 0.0174052486313425 Energy: 0.01868104018527772 Energy: 0.01868104018527772 Energy: 22.719943194308353 Energy: 0.018681040184863787 Energy: 22.42615387996353 Energy: 0.018681040185691652 Energy: 22.359002096068014 Energy: 1.4262772101191756 Energy: 0.018681040184863787 Energy: 0.01740524863097456 Energy: 0.01868104018527772 Energy: 1.4262772101191756 Energy: 0.018681040184863787 Energy: 0.01868104018527772 Energy: 22.405518607213533 Energy: 0.01868104018527772 Energy: 22.481347562521826 Energy: 0.01868104018527772 Energy: 22.824182426664827 Energy: 0.0174052486313425 Energy: 0.01868104018527772 Energy: 1.4262772101191756 Energy: 0.01868104018527772 Energy: 0.0174052486313425 Energy: 0.01868104018527772 Energy: 0.01868104018527772 Energy: 22.388644036794794 Energy: 0.018681040184863787 Energy: 22.51011860094692 Energy: 0.01868104018527772 Energy: 22.395888146132815 minimum gb energy = 0.01740524863097456 eV minimum distance = 1.62429960403765 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 1.9445182461196813 Energy: 1.9867271083058253 Energy: 2.1428389169150384 Energy: 1.9867271083058253 Energy: 1.9445182461186847 Energy: 1.9867271083058253 Energy: 1.9947387131211005 Energy: 1.968232795873218 Energy: 1.8952612151151407 Energy: 1.9682327958722214 Energy: 1.9947387131211005 Energy: 1.9682327958722214 Energy: 2.0306396719383626 Energy: 1.9658806307840258 Energy: 1.9048595821021266 Energy: 1.9658806307840258 Energy: 2.030639671939359 Energy: 1.9658806307840258 Energy: 2.0239963382077377 Energy: 1.9041855764414202 Energy: 2.0194115366095406 Energy: 1.9041855764424165 Energy: 2.0239963382077377 Energy: 1.9041855764414202 Energy: 1.9925881320623475 Energy: 1.9915573775467592 Energy: 1.972189159722272 Energy: 1.9915573775467592 Energy: 1.9925881320623475 Energy: 1.9915573775467592 Energy: 1.8965835708170828 Energy: 1.9662512629166946 Energy: 2.0319925292934005 Energy: 1.966251262915698 Energy: 1.8965835708190755 Energy: 1.9662512629166946 Energy: 1.8955041778114463 Energy: 1.967682657681288 Energy: 2.036952686958504 Energy: 1.967682657681288 Energy: 1.8955041778094535 Energy: 1.967682657681288 Energy: 1.980871194414031 Energy: 1.9929994682042869 Energy: 2.0122288779954474 Energy: 1.9929994682032908 Energy: 1.9808711944180162 Energy: 1.9929994682032908 Energy: 1.9517697582834121 Energy: 1.8946278226854176 Energy: 2.0138921205951275 Energy: 1.8946278226864137 Energy: 1.9517697583471354 Energy: 1.8946278226864137 Energy: 1.899091701777801 Energy: 1.966029699545552 Energy: 2.0328187856234985 Energy: 1.966029699545552 Energy: 1.899091701777801 Energy: 1.966029699545552 Energy: 2.0259219218658036 Energy: 1.9690404001911737 Energy: 1.9619938965591972 Energy: 1.9690404001901771 Energy: 2.0259219218658036 Energy: 1.9690404001911737 Energy: 2.022839661286792 Energy: 1.9890455600447297 Energy: 2.0102330220529874 Energy: 1.9890455600447297 Energy: 2.022839661286792 Energy: 1.9890455600447297 Energy: 1.8991242252155962 Energy: 1.9690404001921704 Energy: 2.055594519434901 Energy: 1.9690404001921704 Energy: 1.899124225219582 Energy: 1.9690404001931665 Energy: 2.0328392060352805 Energy: 1.9659965698908257 Energy: 1.8990797198045093 Energy: 1.9659965698898292 Energy: 2.0328392060352805 Energy: 1.9659965698908257 Energy: 2.014531563811918 Energy: 1.8950241186274512 Energy: 1.9659839548448357 Energy: 1.8950241186264547 Energy: 2.014531563810922 Energy: 1.8950241186254582 Energy: 2.0120554532216506 Energy: 1.998103722225374 Energy: 1.9803868772727031 Energy: 1.9981037222263704 Energy: 2.0120554532216506 Energy: 1.9981037222263704 Energy: 2.0369519148551287 Energy: 1.9678413235438037 Energy: 1.924583469803585 Energy: 1.9678413235418104 Energy: 2.0369519148551287 Energy: 1.9678413235418104 Energy: 2.0320973287188453 Energy: 1.9656708992596703 Energy: 1.9336702829856205 Energy: 1.9656708992606664 Energy: 2.0320973287188453 Energy: 1.9656708992596703 Energy: 1.9617684250923015 Energy: 1.9915651263903742 Energy: 1.99586542403285 Energy: 1.9915651263903742 Energy: 1.9617684250913054 Energy: 1.9915651263903742 Energy: 2.011994372650701 Energy: 1.9042662179978422 Energy: 1.9478335835030025 Energy: 1.9042662179988383 Energy: 2.011994372650701 Energy: 1.9042662179978422 Energy: 1.9083846816480574 Energy: 1.9655635917469387 Energy: 2.0303813686111964 Energy: 1.9655635917469387 Energy: 1.908384681647061 Energy: 1.9655635917469387 Energy: 1.9310027495736557 Energy: 1.9682258013403071 Energy: 2.000868816648585 Energy: 1.9682258013403071 Energy: 1.931002749527822 Energy: 1.9682258013403071 Energy: 2.1077631023785637 Energy: 1.9867271083058253 Energy: 1.9445182461177337 Energy: 1.9867271083058253 Energy: 2.1077631023755745 Energy: 1.9867271083058253 minimum gb energy = 1.8946278226854176 eV minimum distance = 2.44189418300683 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 2.399448620876426 Energy: 2.0511892249141352 Energy: 2.18547424988152 Energy: 2.0511892249141352 Energy: 2.3994486208775596 Energy: 2.0511892249141352 Energy: 2.1687866353180163 Energy: 2.011562137682856 Energy: 2.175773513727536 Energy: 2.011562137682856 Energy: 2.1687866353180163 Energy: 2.011562137683422 Energy: 2.085188800540327 Energy: 2.0458529841064164 Energy: 2.0422776833389653 Energy: 2.0458529841064164 Energy: 2.0851888005408936 Energy: 2.0458529841064164 Energy: 2.0600252174294282 Energy: 1.981287033203364 Energy: 2.0678798460138825 Energy: 1.981287033203364 Energy: 2.060025217428295 Energy: 1.981287033203364 Energy: 2.0368240271795255 Energy: 2.0107336762660477 Energy: 2.0349323890082123 Energy: 2.0107336762649144 Energy: 2.036824027180659 Energy: 2.0107336762660477 Energy: 2.0933653930541585 Energy: 2.0125233205535547 Energy: 2.136001016808552 Energy: 2.012523320554688 Energy: 2.0933653930524585 Energy: 2.0125233205535547 Energy: 2.093437442643442 Energy: 2.0207645998625074 Energy: 2.206813448499679 Energy: 2.0207645998625074 Energy: 2.0934374426406084 Energy: 2.0207645998625074 Energy: 2.1617187147342003 Energy: 2.0171191567236857 Energy: 2.22684990790013 Energy: 2.017119156724252 Energy: 2.1617187147336336 Energy: 2.0171191567236857 Energy: 2.0058153448468925 Energy: 1.9809860145304405 Energy: 2.0889215502970706 Energy: 1.9809860145298737 Energy: 2.005815344851993 Energy: 1.9809860145304405 Energy: 2.0027675209233133 Energy: 2.046804954308354 Energy: 2.007629082408686 Energy: 2.0468049543094877 Energy: 2.0027675209233133 Energy: 2.046804954308921 Energy: 2.086625368534597 Energy: 2.0533329365222412 Energy: 2.1231533980158135 Energy: 2.0533329365216746 Energy: 2.0866253685374305 Energy: 2.0533329365222412 Energy: 2.0274310156255684 Energy: 2.0191677397099546 Energy: 2.068475864806359 Energy: 2.0191677397099546 Energy: 2.0274310156255684 Energy: 2.0191677397099546 Energy: 2.0621593169588124 Energy: 1.9811704476820233 Energy: 2.0860197275313457 Energy: 1.9811704476814564 Energy: 2.062159316303346 Energy: 1.9811704476820233 Energy: 2.1420686441291235 Energy: 2.0460115308216418 Energy: 2.4123713722722817 Energy: 2.0460115308216418 Energy: 2.1420686441291235 Energy: 2.0460115308216418 Energy: 2.031393005168849 Energy: 2.0163565959830985 Energy: 2.1573713343212715 Energy: 2.0163565959825323 Energy: 2.031393005170549 Energy: 2.0163565959819656 Energy: 2.028754740861698 Energy: 2.012957610728142 Energy: 2.0811193903449237 Energy: 2.012957610728708 Energy: 2.028754740858864 Energy: 2.012957610728708 Energy: 2.051161590287916 Energy: 2.0209983694031264 Energy: 2.0355510602586486 Energy: 2.020998369403693 Energy: 2.051161590317954 Energy: 2.0209983694031264 Energy: 2.064786046538987 Energy: 2.017904448377295 Energy: 2.108996714796422 Energy: 2.0179044483767283 Energy: 2.0647860465588233 Energy: 2.017904448377295 Energy: 2.1145318114541323 Energy: 2.017148760028633 Energy: 2.2305277710803377 Energy: 2.0171487600275 Energy: 2.1145318114541323 Energy: 2.017148760028633 Energy: 2.018020126418176 Energy: 1.9813849368525898 Energy: 2.1717432143559203 Energy: 1.981384936852023 Energy: 2.018020126417042 Energy: 1.9813849368514567 Energy: 2.0489490574314644 Energy: 2.0472408499391204 Energy: 2.1448765909155734 Energy: 2.0472408499391204 Energy: 2.0489490574320315 Energy: 2.0472408499391204 Energy: 2.088648682810079 Energy: 2.0495142308003103 Energy: 2.15891929318698 Energy: 2.049514230800876 Energy: 2.0886486828089454 Energy: 2.049514230800876 Energy: 2.0050531156275886 Energy: 2.017302579117468 Energy: 2.054809998948711 Energy: 2.017302579117468 Energy: 2.0050531156275886 Energy: 2.017302579117468 Energy: 2.0495156553939347 Energy: 2.0114434526185363 Energy: 2.0942259941668637 Energy: 2.01144345261797 Energy: 2.0495156554052696 Energy: 2.0114434526185363 Energy: 2.0936664261919997 Energy: 2.0224206566677183 Energy: 2.0446897474920034 Energy: 2.022420656667152 Energy: 2.093666426191433 Energy: 2.022420656667152 Energy: 2.123030592369187 Energy: 2.047192054846342 Energy: 2.1579678314302106 Energy: 2.047192054845775 Energy: 2.1230305923686204 Energy: 2.0471920548469082 Energy: 2.1228914564587726 Energy: 2.046988273114942 Energy: 2.185062892373126 Energy: 2.046988273114942 Energy: 2.1228914564587726 Energy: 2.0469882731155087 Energy: 2.0919750599738527 Energy: 2.0223879684089714 Energy: 2.0419894196691604 Energy: 2.0223879684089714 Energy: 2.0919750599738527 Energy: 2.0223879684095385 Energy: 2.0858687923358574 Energy: 2.0114139932634014 Energy: 2.124184505548743 Energy: 2.011413993263968 Energy: 2.0858687923352903 Energy: 2.0114139932634014 Energy: 2.0051949229219863 Energy: 2.017235537331174 Energy: 2.0326896556427525 Energy: 2.0172355373317403 Energy: 2.0051949229208526 Energy: 2.0172355373323074 Energy: 2.091165426671403 Energy: 2.049514230799743 Energy: 2.150859249377477 Energy: 2.0495142308003103 Energy: 2.091165426671403 Energy: 2.049514230799743 Energy: 2.048156157875339 Energy: 2.047240954599266 Energy: 2.1451366578619866 Energy: 2.047240954599266 Energy: 2.048156157874772 Energy: 2.047240954599266 Energy: 2.017906176685604 Energy: 1.9814688224224195 Energy: 2.1714974007959764 Energy: 1.9814688224224195 Energy: 2.0179061766776694 Energy: 1.9814688224224195 Energy: 2.1146619146754038 Energy: 2.017245812092888 Energy: 2.4086806962497906 Energy: 2.017245812092888 Energy: 2.11466191467597 Energy: 2.017245812092888 Energy: 2.0879052448995585 Energy: 2.017610478987465 Energy: 2.102094590168545 Energy: 2.017610478987465 Energy: 2.0879052449052256 Energy: 2.0176104789880323 Energy: 2.077358064209584 Energy: 2.0214083523684954 Energy: 2.0337263782057113 Energy: 2.0214083523679287 Energy: 2.0773580642101512 Energy: 2.0214083523679287 Energy: 2.078489928079874 Energy: 2.0137108626085816 Energy: 2.0649221776287447 Energy: 2.0137108626085816 Energy: 2.078489928080441 Energy: 2.0137108626085816 Energy: 2.0300828305422165 Energy: 2.016381204616322 Energy: 2.114784493691454 Energy: 2.0163812046157554 Energy: 2.030082830541083 Energy: 2.0163812046157554 Energy: 2.1403365409153126 Energy: 2.0459002892004685 Energy: 2.4127294340676264 Energy: 2.0459002892004685 Energy: 2.1403365409147455 Energy: 2.0459002892010356 Energy: 2.047528497507439 Energy: 1.9812208055791272 Energy: 2.086308929448831 Energy: 1.9812208055791272 Energy: 2.047528497474568 Energy: 1.9812208055791272 Energy: 2.027548023624455 Energy: 2.019156725349206 Energy: 2.0900880395021315 Energy: 2.019156725350339 Energy: 2.0275480236250214 Energy: 2.0191567253497724 minimum gb energy = 1.9809860145298737 eV minimum distance = 2.42887119478073 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 2.090491647204274 Energy: 2.0213033396610465 Energy: 2.420540200594579 Energy: 2.0213033396623596 Energy: 2.090491647204274 Energy: 2.0213033396610465 Energy: 2.095026774872031 Energy: 2.222211039161492 Energy: 2.3128551590540525 Energy: 2.222211039161492 Energy: 2.095026774872031 Energy: 2.222211039162805 Energy: 2.0950525234385964 Energy: 2.0217414714313717 Energy: 2.1276443088815786 Energy: 2.0217414714313717 Energy: 2.0950525234385964 Energy: 2.0217414714313717 Energy: 2.1451981456582203 Energy: 1.9670829083620138 Energy: 2.1970860742173466 Energy: 1.9670829083633274 Energy: 2.1451981456582203 Energy: 1.9670829083633274 Energy: 2.1109980844433816 Energy: 1.9674057068470159 Energy: 2.1780146368152034 Energy: 1.9674057068470159 Energy: 2.1109980844433816 Energy: 1.9674057068470159 Energy: 2.0914004046930725 Energy: 1.966132865589309 Energy: 2.2638809467910805 Energy: 1.9661328655906223 Energy: 2.0914004046943857 Energy: 1.9661328655906223 Energy: 2.0968229210420573 Energy: 1.966701930697011 Energy: 2.131406212286955 Energy: 1.966701930697011 Energy: 2.096822871714925 Energy: 1.966701930697011 Energy: 2.112895594915796 Energy: 1.9663795077670694 Energy: 2.115609678673616 Energy: 1.9663795077670694 Energy: 2.112895594915796 Energy: 1.9663795077683826 Energy: 2.1075654594788076 Energy: 2.120120503559688 Energy: 2.1126891450218785 Energy: 2.1201205035610013 Energy: 2.1075654607506724 Energy: 2.120120503559688 Energy: 2.09947620686923 Energy: 2.050274890683982 Energy: 2.1150277867577616 Energy: 2.050274890683982 Energy: 2.09947620686923 Energy: 2.050274890683982 Energy: 2.193724584288773 Energy: 1.9675513211035356 Energy: 2.220746664159436 Energy: 1.9675513211035356 Energy: 2.1937245842913993 Energy: 1.9675513211035356 Energy: 2.0994093066651276 Energy: 2.0213587766941234 Energy: 2.2646976502788214 Energy: 2.0213587766941234 Energy: 2.0994093066651276 Energy: 2.0213587766928103 Energy: 2.1259736732214654 Energy: 1.9852316246930344 Energy: 2.194590972928414 Energy: 1.9852316246917212 Energy: 2.125973673225405 Energy: 1.9852316246917212 Energy: 2.1007194123608626 Energy: 2.0206837155497364 Energy: 2.191970969558836 Energy: 2.0206837155497364 Energy: 2.1007194123608626 Energy: 2.0206837155497364 Energy: 2.0953413534319365 Energy: 2.020872304378332 Energy: 2.2244772100510897 Energy: 2.020872304377019 Energy: 2.0953413534332497 Energy: 2.020872304378332 Energy: 2.111314755072748 Energy: 2.0023417780022084 Energy: 2.2171023114894526 Energy: 2.0023417780035215 Energy: 2.111314755072748 Energy: 2.0023417780022084 Energy: 2.1031653448625858 Energy: 2.0495571584908596 Energy: 2.260414515222292 Energy: 2.049557158492173 Energy: 2.1031653448651824 Energy: 2.049557158492173 Energy: 2.2097765725651035 Energy: 1.966619746482676 Energy: 2.2198934108330386 Energy: 1.9666197464813628 Energy: 2.209776612462855 Energy: 1.9666197464813628 minimum gb energy = 1.966132865589309 eV minimum distance = 2.40724117501436 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 2.272164916503437 Energy: 2.131548863040299 Energy: 2.274674260167662 Energy: 2.131548863040299 Energy: 2.272164916503437 Energy: 2.1315488630410773 Energy: 2.2077277222285683 Energy: 2.209590029475097 Energy: 2.2606770485651864 Energy: 2.209590029475097 Energy: 2.2077277222285683 Energy: 2.209590029475097 Energy: 2.0985791374247693 Energy: 2.091336976036474 Energy: 2.121343821583282 Energy: 2.091336976036474 Energy: 2.0985791374247693 Energy: 2.091336976036474 Energy: 2.1520583441302006 Energy: 2.0710905269861 Energy: 2.395567297297803 Energy: 2.0710905269853206 Energy: 2.1520583441302006 Energy: 2.0710905269861 Energy: 2.1521391682405895 Energy: 2.1148222410290836 Energy: 2.299101501743096 Energy: 2.114822241029862 Energy: 2.1521391682405895 Energy: 2.1148222410290836 Energy: 2.315801676646664 Energy: 2.1147086517782525 Energy: 2.152166502514026 Energy: 2.1147086517790314 Energy: 2.315801676647443 Energy: 2.1147086517782525 Energy: 2.399504752094551 Energy: 2.0710759023958896 Energy: 2.1553899133561836 Energy: 2.0710759023958896 Energy: 2.3995047521023403 Energy: 2.0710759023958896 Energy: 2.1394959753789684 Energy: 2.091703203987427 Energy: 2.098566974324995 Energy: 2.0917032039882058 Energy: 2.1394959753781895 Energy: 2.0917032039882058 Energy: 2.257764757385385 Energy: 2.2096798281217707 Energy: 2.2627507258462707 Energy: 2.2096798281217707 Energy: 2.2577647573846056 Energy: 2.2096798281217707 Energy: 2.2944440244041537 Energy: 2.131548863040299 Energy: 2.272164916503437 Energy: 2.1315488630410773 Energy: 2.2944440244243705 Energy: 2.1315488630410773 Energy: 2.260677048766855 Energy: 2.209590029475097 Energy: 2.1328325793825473 Energy: 2.2095900294758755 Energy: 2.2606770487138887 Energy: 2.2095900294758755 Energy: 2.121343821582503 Energy: 2.091336976036474 Energy: 2.0985791374247693 Energy: 2.091336976036474 Energy: 2.121343821583282 Energy: 2.091336976036474 Energy: 2.3955672972985815 Energy: 2.0710905269861 Energy: 2.1520583441302006 Energy: 2.0710905269861 Energy: 2.3955672973001394 Energy: 2.0710905269861 Energy: 2.2991015014892757 Energy: 2.114822241029862 Energy: 2.1521391682405895 Energy: 2.1148222410290836 Energy: 2.2991015014301137 Energy: 2.114822241029862 Energy: 2.152166502514026 Energy: 2.1147086517782525 Energy: 2.2669549825575226 Energy: 2.1147086517774736 Energy: 2.152166502514026 Energy: 2.1147086517774736 Energy: 2.155389913355404 Energy: 2.071075902396669 Energy: 2.39950475209533 Energy: 2.071075902396669 Energy: 2.155389913355404 Energy: 2.071075902396669 Energy: 2.098566974324995 Energy: 2.091703203987427 Energy: 2.1394959753781895 Energy: 2.0917032039882058 Energy: 2.098566974324995 Energy: 2.091703203987427 Energy: 2.2627507258462707 Energy: 2.2096798281217707 Energy: 2.2577647573846056 Energy: 2.2096798281217707 Energy: 2.2627507258462707 Energy: 2.2096798281217707 Energy: 2.272164916503437 Energy: 2.1315488630410773 Energy: 2.38982540704625 Energy: 2.131548863040299 Energy: 2.272164916503437 Energy: 2.1315488630410773 Energy: 2.1328325793825473 Energy: 2.2095900294758755 Energy: 2.2606770487504977 Energy: 2.209590029475097 Energy: 2.1328325793825473 Energy: 2.209590029475097 Energy: 2.0985791374247693 Energy: 2.091336976036474 Energy: 2.121343821583282 Energy: 2.091336976037253 Energy: 2.0985791374247693 Energy: 2.091336976036474 Energy: 2.1520583441302006 Energy: 2.0710905269861 Energy: 2.3955672972985815 Energy: 2.0710905269853206 Energy: 2.1520583441302006 Energy: 2.0710905269861 Energy: 2.1521391682405895 Energy: 2.114822241029862 Energy: 2.299101501676145 Energy: 2.114822241029862 Energy: 2.1521391682405895 Energy: 2.1148222410290836 Energy: 2.1903177514728114 Energy: 2.1147086517782525 Energy: 2.152166502514026 Energy: 2.1147086517782525 Energy: 2.1903177514868317 Energy: 2.1147086517782525 Energy: 2.399504752094551 Energy: 2.0710759023958896 Energy: 2.1424315149353848 Energy: 2.0710759023958896 Energy: 2.399504752083646 Energy: 2.0710759023958896 Energy: 2.1394959753781895 Energy: 2.091703203987427 Energy: 2.098566974324995 Energy: 2.091703203987427 Energy: 2.139495975377411 Energy: 2.091703203987427 Energy: 2.2577647573846056 Energy: 2.2096798281209913 Energy: 2.2627507258462707 Energy: 2.2096798281209913 Energy: 2.2577647573861634 Energy: 2.2096798281209913 Energy: 2.389825407071175 Energy: 2.1315488630410773 Energy: 2.272164916503437 Energy: 2.131548863041856 Energy: 2.3898254070719545 Energy: 2.1315488630410773 Energy: 2.2606770487839554 Energy: 2.2095900294758755 Energy: 2.1328325793825473 Energy: 2.2095900294758755 Energy: 2.260677048717004 Energy: 2.2095900294758755 Energy: 2.121343821582503 Energy: 2.091336976036474 Energy: 2.0985791374247693 Energy: 2.091336976036474 Energy: 2.121343821582503 Energy: 2.091336976037253 minimum gb energy = 2.0710759023958896 eV minimum distance = 2.41011164892332 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 1.9580624037428258 Energy: 1.9541204653612716 Energy: 2.526610915892396 Energy: 1.9541204653612716 Energy: 1.9580624037428258 Energy: 1.9541204653612716 Energy: 1.9175971912114216 Energy: 2.021364126323821 Energy: 2.0050217667534547 Energy: 2.021364126323821 Energy: 1.9175971912114216 Energy: 2.021364126323821 Energy: 1.970036377728023 Energy: 2.2057362281009927 Energy: 2.1379522894195455 Energy: 2.2057362281009927 Energy: 1.970036377728023 Energy: 2.2057362281009927 Energy: 2.221422879559605 Energy: 1.9580604992153878 Energy: 2.2624181296744736 Energy: 1.9580604992153878 Energy: 2.221422878905483 Energy: 1.9580604992153878 Energy: 2.0031912007050505 Energy: 1.9543293521210365 Energy: 2.40970736665473 Energy: 1.9543293521210365 Energy: 2.0031912007050505 Energy: 1.9543293521210365 Energy: 1.9797139712236869 Energy: 2.204862627389788 Energy: 2.0064603685246096 Energy: 2.20486262738788 Energy: 1.9797139712236869 Energy: 2.204862627389788 Energy: 2.002360513035252 Energy: 2.0088081454730617 Energy: 1.970302944004621 Energy: 2.0088081454730617 Energy: 2.00236051303716 Energy: 2.0088081454730617 Energy: 1.958208495134559 Energy: 1.9585980916080161 Energy: 2.196440951741784 Energy: 1.9585980916080161 Energy: 1.958208495134559 Energy: 1.9585980916080161 Energy: 1.969920086576644 Energy: 1.9560616953803969 Energy: 2.211290962237845 Energy: 1.9560616953803969 Energy: 1.969920086576644 Energy: 1.9560616953803969 Energy: 1.9702270562130122 Energy: 2.2040200927694737 Energy: 1.970002663105306 Energy: 2.2040200927694737 Energy: 1.9702270562130122 Energy: 2.2040200927694737 Energy: 2.390674051536337 Energy: 1.956114393168635 Energy: 1.9695098263133308 Energy: 1.9561143931705427 Energy: 2.390674051538245 Energy: 1.956114393168635 Energy: 2.2347892067941277 Energy: 1.9586347453035091 Energy: 1.958254334545504 Energy: 1.9586347453035091 Energy: 2.2347892067941277 Energy: 1.9586347453035091 minimum gb energy = 1.9175971912114216 eV minimum distance = 2.441752506839 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 2.3220820701974056 Energy: 2.260187389135232 Energy: 2.3680094142782577 Energy: 2.260187389135232 Energy: 2.3220820701963336 Energy: 2.260187389135232 Energy: 2.1519011762094093 Energy: 2.211725394343037 Energy: 2.039036495933413 Energy: 2.1831415139337915 Energy: 2.1519011762094093 Energy: 2.211725394343037 Energy: 1.9965580140853734 Energy: 2.1977956337293 Energy: 2.0196329847203383 Energy: 2.197795633729836 Energy: 1.9965580140859094 Energy: 2.1977956337293 Energy: 2.0154583946752553 Energy: 2.1412044601860507 Energy: 2.208485417272627 Energy: 2.141204460185515 Energy: 2.0154583946747184 Energy: 2.1412044601860507 Energy: 2.0120249433244632 Energy: 2.141016218556186 Energy: 2.1575138054342142 Energy: 2.1410162185556505 Energy: 2.0120249433244632 Energy: 2.1410162185551145 Energy: 1.978133138339924 Energy: 2.122576385684938 Energy: 2.033195058693623 Energy: 2.098848704183094 Energy: 1.978133138339924 Energy: 2.1225763856854734 Energy: 2.288145384904702 Energy: 2.1655129557346213 Energy: 2.1260777929920316 Energy: 2.165512955733013 Energy: 2.28814538490363 Energy: 2.165512955734085 Energy: 2.1105636893394726 Energy: 2.142017829082941 Energy: 2.055260560522273 Energy: 2.142017829082405 Energy: 2.1105636893394726 Energy: 2.142017829082405 Energy: 2.1477489539411296 Energy: 2.282644392354756 Energy: 2.151328540733989 Energy: 2.2826443923552917 Energy: 2.147748953874167 Energy: 2.2826443923542197 Energy: 2.12251647895227 Energy: 2.2202892865684576 Energy: 2.0130798078700813 Energy: 2.220289286568993 Energy: 2.1225164789532935 Energy: 2.220289286568993 Energy: 2.174832752732105 Energy: 2.1525357007828076 Energy: 2.0437927367249564 Energy: 2.1525357007828076 Energy: 2.1748327527315685 Energy: 2.1525357007822716 Energy: 2.0128741610683196 Energy: 2.1447939445658823 Energy: 2.007801174869162 Energy: 2.1447939445664184 Energy: 2.0128741610677836 Energy: 2.1447939445664184 Energy: 1.9809414125816174 Energy: 2.099538611464642 Energy: 2.0351062692801833 Energy: 2.099538611465178 Energy: 1.9809414125826894 Energy: 2.099538611464642 Energy: 2.290969174370179 Energy: 2.236990784334838 Energy: 2.3467227472005914 Energy: 2.236990784335374 Energy: 2.2909691743696428 Energy: 2.236990784335374 Energy: 2.020060971191133 Energy: 2.208315108732184 Energy: 2.063842173340844 Energy: 2.208315108731648 Energy: 2.020060971192205 Energy: 2.208315108731648 Energy: 2.178988825488796 Energy: 2.128596247978257 Energy: 2.0109552093769505 Energy: 2.128596247977721 Energy: 2.178988825488796 Energy: 2.1285962479771845 Energy: 2.1317454301243384 Energy: 2.2030377707957616 Energy: 2.0131355127727932 Energy: 2.2030377707962976 Energy: 2.131745430124875 Energy: 2.2030377707962976 Energy: 2.014409311979295 Energy: 2.103828968787191 Energy: 2.0122080293537423 Energy: 2.103828968787727 Energy: 2.014409311979295 Energy: 2.103828968788263 Energy: 2.1186553964972155 Energy: 2.235062886479652 Energy: 1.9759099144251084 Energy: 2.235062886480188 Energy: 2.1186553964972155 Energy: 2.235062886479652 Energy: 2.0239833505182716 Energy: 2.2069216264938865 Energy: 2.0247221382600924 Energy: 2.206921626495494 Energy: 2.023983350515055 Energy: 2.2770643385047435 Energy: 1.975163288032638 Energy: 2.2357945798945407 Energy: 2.1236660258149302 Energy: 2.2357945798956127 Energy: 1.9751632880337104 Energy: 2.2357945798956127 Energy: 2.033387057032164 Energy: 2.1044133909634 Energy: 2.0147909622881293 Energy: 2.104413390964472 Energy: 2.033387057031628 Energy: 2.104413390964472 Energy: 2.013783790962712 Energy: 2.203011877508374 Energy: 2.13167852621373 Energy: 2.2030118775078376 Energy: 2.013783790962712 Energy: 2.2030118775078376 Energy: 2.010632180308795 Energy: 2.1283358720641727 Energy: 2.1790639156722778 Energy: 2.1283358720641727 Energy: 2.010632180308795 Energy: 2.1283358720636363 Energy: 2.0534477583139914 Energy: 2.208623539526122 Energy: 2.023319710203559 Energy: 2.208623539526122 Energy: 2.053447758311847 Energy: 2.2086235395266582 Energy: 2.344777502735663 Energy: 2.237200328950254 Energy: 2.2907186805136117 Energy: 2.2372003289497178 Energy: 2.344777502736735 Energy: 2.2372003289497178 Energy: 2.0349184410827355 Energy: 2.0997311409612527 Energy: 1.9814845824605032 Energy: 2.0997311409612527 Energy: 2.034918441080592 Energy: 2.0997311409607167 Energy: 1.9987691435897532 Energy: 2.1447276979872347 Energy: 2.01331394205015 Energy: 2.144727697986699 Energy: 1.998769143769245 Energy: 2.1447276979872347 Energy: 2.050252816271179 Energy: 2.142248495380327 Energy: 2.2435987534963804 Energy: 2.142248495380327 Energy: 2.050252816086327 Energy: 2.1422484953787184 Energy: 2.0124842901219457 Energy: 2.220526295446109 Energy: 2.1224569523341366 Energy: 2.220526295445573 Energy: 2.01248429012141 Energy: 2.220526295445573 Energy: 2.1412164774160907 Energy: 2.282644392354756 Energy: 2.160363162014267 Energy: 2.2826443923552917 Energy: 2.1412164774166262 Energy: 2.2826443923552917 Energy: 2.056608378843577 Energy: 2.14180949657812 Energy: 2.1103050141506055 Energy: 2.141809496577584 Energy: 2.0566082723254 Energy: 2.1418094965770478 Energy: 2.1440664973986037 Energy: 2.1654631827862696 Energy: 2.2881802305361574 Energy: 2.165463182786806 Energy: 2.1440664973980676 Energy: 2.165463182786806 Energy: 2.035362558109761 Energy: 2.150720604084212 Energy: 1.978138332175087 Energy: 2.1507206040852354 Energy: 2.035362558109761 Energy: 2.09921262827094 Energy: 2.216430922599282 Energy: 2.140954604004365 Energy: 2.012018429482397 Energy: 2.140954604004365 Energy: 2.2164309225944576 Energy: 2.140954604004365 Energy: 2.205475703225443 Energy: 2.1414317698060823 Energy: 2.0153766940512283 Energy: 2.1414317698060823 Energy: 2.2054757032259795 Energy: 2.1414317698066188 Energy: 2.013340816450682 Energy: 2.197731918222099 Energy: 1.997188361246491 Energy: 2.1977319182215624 Energy: 2.0133408164619406 Energy: 2.1977319182210264 Energy: 2.0374524766356648 Energy: 2.14182650339728 Energy: 2.151675590005096 Energy: 2.14182650339728 Energy: 2.0374524766351283 Energy: 2.16394269571637 Energy: 2.235612264748516 Energy: 2.2601873891363042 Energy: 2.3220820701974056 Energy: 2.260187389135232 Energy: 2.2356122647490517 Energy: 2.260187389135232 Energy: 2.039036495935557 Energy: 2.1531865747840446 Energy: 2.151901176207801 Energy: 2.183141513931647 Energy: 2.0390364959301963 Energy: 2.1531865747845806 Energy: 2.01963298459387 Energy: 2.1977956337287634 Energy: 1.9965580140853734 Energy: 2.1977956337287634 Energy: 2.01963298467209 Energy: 2.1977956337293 Energy: 2.2084854172720907 Energy: 2.1412044601860507 Energy: 2.0154583946752553 Energy: 2.141204460185515 Energy: 2.2084854172720907 Energy: 2.1412044601849787 Energy: 2.1132617756329775 Energy: 2.1410162185556505 Energy: 2.0120249433244632 Energy: 2.1410162185556505 Energy: 2.113261775635658 Energy: 2.1410162185556505 minimum gb energy = 1.975163288032638 eV minimum distance = 2.42137069729468 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 1.9910123216066147 Energy: 2.0926958363338364 Energy: 2.131255697592029 Energy: 2.0926958363338364 Energy: 1.9910123216066147 Energy: 2.0926958363338364 Energy: 2.4051585254495027 Energy: 2.140515501562089 Energy: 1.7524896200020927 Energy: 2.140515501562089 Energy: 2.4051585254495027 Energy: 2.140515501562089 Energy: 1.7122756474327583 Energy: 2.024974102998228 Energy: 1.7522603455639498 Energy: 2.024974102998228 Energy: 1.7122756474327583 Energy: 2.024974102998228 Energy: 1.7520534576951179 Energy: 2.0639881082318934 Energy: 1.8227372381463205 Energy: 2.0639881082318934 Energy: 1.7520534576951179 Energy: 2.0639881082318934 Energy: 1.751363904530719 Energy: 2.0898809266580645 Energy: 1.7505839822565674 Energy: 2.0898809266580645 Energy: 1.751363904530719 Energy: 2.089880926659285 Energy: 2.469564473268469 Energy: 2.0307574551327496 Energy: 1.9055034175677015 Energy: 2.0307574551327496 Energy: 2.469564473268469 Energy: 2.0307574551327496 Energy: 2.4691078839960405 Energy: 2.026198497262179 Energy: 1.9052929379070038 Energy: 2.026198497262179 Energy: 2.4691078839960405 Energy: 2.026198497262179 Energy: 1.751115371905419 Energy: 2.0896820773077733 Energy: 1.7707697704790588 Energy: 2.0896820773077733 Energy: 1.751115371905419 Energy: 2.0896820773077733 Energy: 1.751908241591652 Energy: 2.0638828165246834 Energy: 1.7512140265145621 Energy: 2.0638828165246834 Energy: 1.751908241591652 Energy: 2.0638828165246834 Energy: 1.7123839758893495 Energy: 2.025038516092149 Energy: 1.7553724634123422 Energy: 2.0250385160933697 Energy: 1.7123839758893495 Energy: 2.025038516092149 Energy: 2.405728415888709 Energy: 2.140515501562089 Energy: 1.824981503294869 Energy: 2.140515501562089 Energy: 2.405728415888709 Energy: 2.140515501562089 Energy: 1.9910123216066147 Energy: 2.0926958363338364 Energy: 2.2220084013045325 Energy: 2.0926958363338364 Energy: 1.9910123216066147 Energy: 2.0926958363326165 Energy: 2.4051585254495027 Energy: 2.140515501562089 Energy: 1.7524896200020927 Energy: 2.140515501562089 Energy: 2.4051585254507226 Energy: 2.140515501562089 Energy: 1.7122756474327583 Energy: 2.024974102998228 Energy: 1.7522603455810344 Energy: 2.024974102998228 Energy: 1.7122756474327583 Energy: 2.024974102998228 Energy: 1.7520534576951179 Energy: 2.0639881082318934 Energy: 1.7703232644663356 Energy: 2.0639881082318934 Energy: 1.7520534576951179 Energy: 2.0639881082331137 Energy: 1.751363904530719 Energy: 2.0898809266580645 Energy: 1.7505839825102842 Energy: 2.0898809266580645 Energy: 1.7513639045294989 Energy: 2.0898809266580645 Energy: 2.469564473268469 Energy: 2.0307574551327496 Energy: 1.905503417568922 Energy: 2.0307574551327496 Energy: 2.469564473268469 Energy: 2.03075745513397 Energy: 2.4691078839960405 Energy: 2.026198497262179 Energy: 1.905292937910665 Energy: 2.026198497262179 Energy: 2.469107883997261 Energy: 2.026198497262179 Energy: 1.751115371905419 Energy: 2.089682077306553 Energy: 1.7707697704814995 Energy: 2.089682077306553 Energy: 1.751115371905419 Energy: 2.0896820773077733 minimum gb energy = 1.7122756474327583 eV minimum distance = 2.41363362086196 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 1.7937566520204076 Energy: 2.0276237316244603 Energy: 1.8032357792439575 Energy: 2.0276237316244603 Energy: 1.7937566520204076 Energy: 2.027623731625354 Energy: 2.471843292183762 Energy: 1.9423603679518648 Energy: 1.586254604145579 Energy: 1.9423602157270106 Energy: 2.471843292183762 Energy: 1.9423602607878896 Energy: 1.764677719172386 Energy: 1.898418476313515 Energy: 1.8013561964534133 Energy: 1.898418476313515 Energy: 1.7646777191732796 Energy: 1.8984184763126213 Energy: 1.8460494903573434 Energy: 1.8921432053114589 Energy: 1.5867274040034605 Energy: 1.892143205309671 Energy: 1.8460494903591316 Energy: 1.8921432053105651 Energy: 1.5857496474510335 Energy: 2.025047936578332 Energy: 1.611839669498828 Energy: 2.0250479365774376 Energy: 1.5857496474519275 Energy: 2.025047936578332 Energy: 1.6124050720030398 Energy: 1.9922671779593337 Energy: 1.58667153554717 Energy: 1.9922671779584398 Energy: 1.6124050720030398 Energy: 1.9922671779584398 Energy: 1.6101101071419384 Energy: 2.0379560098987564 Energy: 1.5877064729628696 Energy: 2.03795600989965 Energy: 1.6101101071410446 Energy: 2.03795600989965 Energy: 2.1398492622190965 Energy: 2.069311297126097 Energy: 1.6295237316590863 Energy: 2.0693112971252035 Energy: 2.1398492622199905 Energy: 2.0693112971252035 Energy: 2.141062679764873 Energy: 2.0736185254063595 Energy: 2.1267217441716983 Energy: 2.0736185254081474 Energy: 2.141062679764873 Energy: 2.0736185254081474 Energy: 1.6125996796899549 Energy: 1.9139953107921128 Energy: 1.586517089131631 Energy: 1.9139953107974765 Energy: 1.6125996796908486 Energy: 1.9139953107983703 Energy: 1.6111678622844912 Energy: 1.9899387781351123 Energy: 1.5868242791103209 Energy: 1.9899387781360063 Energy: 1.6111678622844912 Energy: 1.9899387781369 Energy: 1.5876133426780032 Energy: 2.0716175489732 Energy: 1.5876209702148123 Energy: 2.0716175489732 Energy: 1.5876133426780032 Energy: 2.0716175489740936 Energy: 2.139731835728577 Energy: 1.8913744497164975 Energy: 1.6997799914799498 Energy: 1.891374449720073 Energy: 2.139731835728577 Energy: 1.8913744497173914 Energy: 1.7674326372346802 Energy: 1.9236652209259535 Energy: 1.6113802693138872 Energy: 1.9236652209250595 Energy: 1.7674326372346802 Energy: 1.9236652209250595 Energy: 2.470931346334687 Energy: 1.9411099845968043 Energy: 1.586032970814517 Energy: 1.9411099845985924 Energy: 2.470931346334687 Energy: 1.9411099845959108 Energy: 1.7970421637276723 Energy: 2.0287942639151897 Energy: 1.8787520988838489 Energy: 2.0287942639151897 Energy: 1.7970421637276723 Energy: 2.0287942639151897 Energy: 2.502478964333353 Energy: 1.9441586948349963 Energy: 1.6103964684718202 Energy: 1.9441586948412537 Energy: 2.502478964333353 Energy: 1.9441586948376781 Energy: 1.7672488297128648 Energy: 1.8991968001508268 Energy: 1.666300856028537 Energy: 1.8991968000579411 Energy: 1.7672488297137587 Energy: 1.899196800149039 Energy: 1.8515779214625236 Energy: 1.9153918513397568 Energy: 1.5866293366004673 Energy: 1.9153918513406507 Energy: 1.8515779214598416 Energy: 1.915391851338863 Energy: 1.5874422174495706 Energy: 2.028496257830828 Energy: 1.6127341583973696 Energy: 2.028496257829934 Energy: 1.5874422174495706 Energy: 2.028496257829934 Energy: 2.244417518603453 Energy: 2.0046579244686074 Energy: 1.7666743778812992 Energy: 2.0046579244677134 Energy: 2.244417518604347 Energy: 2.0046579244686074 Energy: 1.6124833222099437 Energy: 2.0311964518144876 Energy: 1.5919681924848421 Energy: 2.0311964518144876 Energy: 1.612483322210838 Energy: 2.0311964518118057 Energy: 2.1426436070498083 Energy: 2.0388021975253277 Energy: 1.8138977777348777 Energy: 2.0388021975244337 Energy: 2.1426436070498083 Energy: 2.0388021975253277 Energy: 1.5883467479855147 Energy: 2.087072613610969 Energy: 2.087789054424324 Energy: 2.0870726136100757 Energy: 1.5883467479855147 Energy: 2.0870726136100757 Energy: 1.6196081386440495 Energy: 1.9104557660190467 Energy: 1.766659386260242 Energy: 1.9104557660145771 Energy: 1.6196081386431556 Energy: 1.9104557660244104 Energy: 1.6128105335220597 Energy: 1.99150061736563 Energy: 1.5873268708656953 Energy: 1.991500617364736 Energy: 1.6128105335220597 Energy: 1.991500617364736 minimum gb energy = 1.5857496474510335 eV minimum distance = 2.45923405867894 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 2.24338332415046 Energy: 1.9470313625968334 Energy: 1.5585364080114872 Energy: 1.9470313625947195 Energy: 2.243383324149051 Energy: 1.9470313625806284 Energy: 2.468485843636237 Energy: 1.797445722146934 Energy: 1.4616303821661187 Energy: 1.7974457221476383 Energy: 2.468485843636237 Energy: 1.7974457221476383 Energy: 1.609041749069929 Energy: 1.865470785224458 Energy: 1.4933744947233978 Energy: 1.865470785224458 Energy: 1.6090417490692241 Energy: 1.865470785224458 Energy: 2.190997324942691 Energy: 1.748360953304603 Energy: 1.4608378261751778 Energy: 1.7483609533053075 Energy: 2.190997324942691 Energy: 1.7483609533053075 Energy: 1.591352691186722 Energy: 1.7411754892029874 Energy: 1.5219064887809608 Energy: 1.7411754892029874 Energy: 1.591352691186722 Energy: 1.7411754891973827 Energy: 1.9168483216466172 Energy: 1.8820457975920362 Energy: 1.461464513055936 Energy: 1.8820457975920362 Energy: 1.9168483216459127 Energy: 1.8820457975920362 Energy: 1.4597375124722558 Energy: 1.9091854743127405 Energy: 1.4600652526024287 Energy: 1.9091854743127405 Energy: 1.4597375124722558 Energy: 1.9091854743127405 Energy: 2.0314793721282696 Energy: 1.9361341326197323 Energy: 1.49172724128162 Energy: 1.936134132620437 Energy: 2.0314793721282696 Energy: 1.936134132620437 Energy: 1.4929360737022048 Energy: 1.842751359197107 Energy: 1.8700357817441495 Energy: 1.842751359197812 Energy: 1.4929360737029091 Energy: 1.842751359194289 Energy: 1.9265503996067654 Energy: 1.9331349153835955 Energy: 1.8801973463521953 Energy: 1.9331349153828907 Energy: 1.926550399606061 Energy: 1.9331349153835955 Energy: 1.9219157913066922 Energy: 1.9062081748695916 Energy: 1.8836731111812381 Energy: 1.906208174868887 Energy: 1.9219157913066922 Energy: 1.906208174868887 Energy: 1.498055128728694 Energy: 1.8980765833581097 Energy: 1.4917536062478973 Energy: 1.9799179139655954 Energy: 1.498055128728694 Energy: 1.898076583357405 Energy: 1.493387297720576 Energy: 1.8947383615126794 Energy: 1.7773982112639939 Energy: 1.8947383615126794 Energy: 1.493387297720576 Energy: 1.8947383615133837 Energy: 1.4643975429571154 Energy: 1.8635497111313637 Energy: 1.4614820555337718 Energy: 1.8635497111306596 Energy: 1.4643975429578202 Energy: 1.8635497111306596 Energy: 1.9213343499382687 Energy: 1.8402759653332852 Energy: 1.4615747092889746 Energy: 1.8402759653361032 Energy: 1.9213343499382687 Energy: 1.840275965334694 Energy: 1.5962149705439719 Energy: 1.9423189891664174 Energy: 1.4611043555302663 Energy: 1.9798168245323935 Energy: 1.5962149705439719 Energy: 1.8639158557501276 Energy: 1.8700557978068395 Energy: 1.876462152713661 Energy: 1.4932065501806808 Energy: 1.8764621527143655 Energy: 1.8700557978061345 Energy: 1.8764621527143655 Energy: 1.6137093455615563 Energy: 1.8982712024009596 Energy: 1.49457697236126 Energy: 1.8982712024002548 Energy: 1.6137093455615563 Energy: 1.8982712024002548 Energy: 2.4673638952044983 Energy: 1.7942392734368697 Energy: 1.4610955986181084 Energy: 1.7942392734389514 Energy: 2.4673638952044983 Energy: 1.7942392734347563 Energy: 1.8794907973131214 Energy: 1.9479844493575968 Energy: 1.7156358755900836 Energy: 1.9767229174841625 Energy: 1.8794905505357888 Energy: 1.8641586679703945 Energy: 2.4502265784751107 Energy: 1.7958249939756106 Energy: 1.4925861752476313 Energy: 1.7958249939749058 Energy: 2.4502265784744064 Energy: 1.795824993973497 Energy: 1.6136586741653567 Energy: 1.8624874086479573 Energy: 1.5783100180593972 Energy: 1.8624874086479573 Energy: 1.6136586741653567 Energy: 1.862487408648662 Energy: 2.233958554315662 Energy: 1.737897788599124 Energy: 1.460472944555839 Energy: 1.737897788599124 Energy: 2.2339585543163665 Energy: 1.7378977885984195 Energy: 1.5962838385302645 Energy: 1.8243417386683274 Energy: 1.4964823141136532 Energy: 1.7937765655824647 Energy: 1.5962838385302645 Energy: 1.838354932904617 Energy: 1.7075161251656283 Energy: 1.879893544613945 Energy: 1.5940068691005325 Energy: 1.8798935446146496 Energy: 1.7075161251649238 Energy: 1.8798935446146496 Energy: 1.4646125811389883 Energy: 1.794935085147468 Energy: 1.666446051887186 Energy: 1.7739840517704015 Energy: 1.464612581138284 Energy: 1.7949350851467634 Energy: 2.030303570624405 Energy: 1.9001870615056424 Energy: 1.611761499705316 Energy: 1.9001870615056424 Energy: 2.03030357062511 Energy: 1.9001870615056424 Energy: 1.498270173464282 Energy: 1.8417580227923005 Energy: 1.866172435380978 Energy: 1.830743999194551 Energy: 1.498270173464282 Energy: 1.8417580227930055 Energy: 1.9245006936380225 Energy: 1.9338825761484992 Energy: 1.880723382614363 Energy: 1.9338825761492033 Energy: 1.924500693638727 Energy: 1.9338825761484992 Energy: 1.462883681670839 Energy: 1.882124832939434 Energy: 1.8785365591970848 Energy: 1.8486067243459086 Energy: 1.4628836816701343 Energy: 1.8970464643190836 Energy: 1.4933512900127852 Energy: 1.9002015423577603 Energy: 1.6109247418318688 Energy: 1.9002015423577603 Energy: 1.4933512900127852 Energy: 1.9002015423577603 Energy: 1.4989677712659066 Energy: 1.893779335895057 Energy: 1.8724834807614046 Energy: 1.893779335895057 Energy: 1.4989677712659066 Energy: 1.893779335895057 Energy: 1.461221758462449 Energy: 1.863860482361505 Energy: 1.5932165172672423 Energy: 1.8638604823608005 Energy: 1.461221758463858 Energy: 1.863860482361505 minimum gb energy = 1.4597375124722558 eV minimum distance = 2.43379723046953 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 1.885878780106443 Energy: 1.7475792547782156 Energy: 1.597315188194769 Energy: 1.7475792547782156 Energy: 1.8858787801059482 Energy: 1.7475792547787101 Energy: 2.6548924519212433 Energy: 1.598874404394658 Energy: 1.3053125156267809 Energy: 1.598874404396636 Energy: 2.6548924519197596 Energy: 1.5988744044015808 Energy: 1.851942002390777 Energy: 1.7236289500803583 Energy: 1.5748529710360937 Energy: 1.723628950077886 Energy: 1.8519420023912716 Energy: 1.7236289500808528 Energy: 2.2147285429162498 Energy: 1.4762924298657525 Energy: 1.304915811886234 Energy: 1.4762924298766307 Energy: 2.214728542915755 Energy: 1.476292429785694 Energy: 1.4179871315462065 Energy: 1.6961974041962098 Energy: 1.3287489693362347 Energy: 1.6961974041971986 Energy: 1.4179871315452175 Energy: 1.6961974041971986 Energy: 2.0061628314892923 Energy: 1.6509740521752818 Energy: 1.3050351082775922 Energy: 1.6509740521747873 Energy: 2.006162831488798 Energy: 1.6509740521752818 Energy: 1.3939906463774236 Energy: 1.6293433609975208 Energy: 1.3109427131159086 Energy: 1.6293433609970265 Energy: 1.3939906463784126 Energy: 1.6293433609975208 Energy: 1.8125583133167131 Energy: 1.6559913212542916 Energy: 1.3119204875349693 Energy: 1.655991321254786 Energy: 1.8125583133137462 Energy: 1.6559913212537973 Energy: 1.3100876988899923 Energy: 1.6986180574113805 Energy: 1.5297434347005237 Energy: 1.6986180574103915 Energy: 1.3100876988894978 Energy: 1.6986180574103915 Energy: 1.6243548554472922 Energy: 1.7179453614970908 Energy: 1.6120366945077096 Energy: 1.7179453614975853 Energy: 1.6243548554453142 Energy: 1.7179453614970908 Energy: 1.304630706860605 Energy: 1.6573838173499587 Energy: 1.6176200298295187 Energy: 1.6573838173692428 Energy: 1.304630706860605 Energy: 1.6573838173296855 Energy: 2.057935183980457 Energy: 1.7460806960874016 Energy: 1.622502792598102 Energy: 1.7460806960878958 Energy: 2.0579351839799624 Energy: 1.7460806960878958 Energy: 1.5986186348561917 Energy: 1.6986236295442962 Energy: 1.9914537820484408 Energy: 1.6986236295438017 Energy: 1.5986186348561917 Energy: 1.6986236295438017 Energy: 1.6339233736907575 Energy: 1.7256009713348746 Energy: 2.001280195631559 Energy: 1.7256009713348746 Energy: 1.6339233736907575 Energy: 1.72560097133438 Energy: 1.6199173696358367 Energy: 1.6582030490727948 Energy: 2.010957898219111 Energy: 1.658203049054005 Energy: 1.6199173696363312 Energy: 1.658203049089112 Energy: 1.6065640414322364 Energy: 1.725912582391284 Energy: 1.6211725997070987 Energy: 1.7259125823908346 Energy: 1.6065640414322364 Energy: 1.725912582392273 Energy: 1.5985980841463858 Energy: 1.700574298535029 Energy: 1.9920250114941012 Energy: 1.700574298536018 Energy: 1.5985980841463858 Energy: 1.700574298536018 Energy: 1.3125702939312442 Energy: 1.7248782363375972 Energy: 1.5986421568927103 Energy: 1.724878236340564 Energy: 1.3125702939312442 Energy: 1.7248782363375972 Energy: 1.6209734743629864 Energy: 1.7045256315613488 Energy: 1.6001646635566162 Energy: 1.7045256315603599 Energy: 1.6209734743629864 Energy: 1.7045256315608543 Energy: 1.318298691776968 Energy: 1.7305947616510016 Energy: 1.3112810416862384 Energy: 1.7305947616500128 Energy: 1.3182986917774624 Energy: 1.7305947616500128 Energy: 1.5984741353574399 Energy: 1.701977254038934 Energy: 1.5974900831831076 Energy: 1.7019772540399227 Energy: 1.5984741353569456 Energy: 1.7019772540394285 Energy: 1.4023633982549768 Energy: 1.7244827592781629 Energy: 1.3051237140329819 Energy: 1.7244827592781629 Energy: 1.4023633982569546 Energy: 1.7244827592786574 Energy: 2.0072038961609064 Energy: 1.7263050022391362 Energy: 1.3131547749920387 Energy: 1.726305002238642 Energy: 2.0072038961609064 Energy: 1.726305002237653 Energy: 1.4261736373921767 Energy: 1.7295321662017318 Energy: 1.3049129360142542 Energy: 1.7295321662012373 Energy: 1.4261736373921767 Energy: 1.7295321662017318 Energy: 1.9941902398098355 Energy: 1.6874297956826214 Energy: 1.6086357581329496 Energy: 1.687429795683116 Energy: 1.9941902398108242 Energy: 1.6874297956836104 Energy: 1.845692943707975 Energy: 1.73506987770157 Energy: 1.3214062047101616 Energy: 1.73506987770157 Energy: 1.845692943706986 Energy: 1.7350698777010756 Energy: 2.4325546449077597 Energy: 1.6175470225958666 Energy: 1.3127949030820503 Energy: 1.6175470230762612 Energy: 2.4325546449072655 Energy: 1.6175470227416435 Energy: 1.880815201999945 Energy: 1.7317318482439095 Energy: 1.6204296516269112 Energy: 1.731731848243415 Energy: 1.880815201999945 Energy: 1.7317318482439095 Energy: 2.2151751604288754 Energy: 1.6569661583149498 Energy: 1.6131843232603482 Energy: 1.6569661583169273 Energy: 2.21517516042937 Energy: 1.6569661583149498 Energy: 1.845539628077879 Energy: 1.7347350177414234 Energy: 1.6636889490062052 Energy: 1.7347350177414234 Energy: 1.845539628077879 Energy: 1.7347350177414234 Energy: 2.007147666984857 Energy: 1.5413753864207398 Energy: 1.3124399806291132 Energy: 1.5413753864197508 Energy: 2.007147666985846 Energy: 1.5413753864197508 Energy: 1.4257208785649411 Energy: 1.7011031354495467 Energy: 1.4820474303027462 Energy: 1.7011031354490522 Energy: 1.4257208785649411 Energy: 1.7011031354495467 Energy: 1.8098871392855311 Energy: 1.623844008649908 Energy: 1.3183445055362428 Energy: 1.623844008649908 Energy: 1.8098871392860256 Energy: 1.6238440086504022 Energy: 1.4038795828380695 Energy: 1.6500730244375785 Energy: 1.8385779565497649 Energy: 1.6500730244390618 Energy: 1.403879582838564 Energy: 1.6500730244390618 Energy: 1.8402983704926226 Energy: 1.650155967740782 Energy: 1.4020526635925625 Energy: 1.650155967740782 Energy: 1.8402983704926226 Energy: 1.6501559677412763 Energy: 1.3185378695330874 Energy: 1.6246846671088881 Energy: 1.8089147129820682 Energy: 1.6246846671083939 Energy: 1.3185378695330874 Energy: 1.6246846671088881 Energy: 1.4796097844543623 Energy: 1.701092711306914 Energy: 1.425617821993703 Energy: 1.7010927113074086 Energy: 1.4796097844533735 Energy: 1.7010927113074086 Energy: 1.313049324401495 Energy: 1.5332240377104813 Energy: 2.006842055318246 Energy: 1.5332240382314222 Energy: 1.313049324401495 Energy: 1.5332240376813528 Energy: 1.6636889490076885 Energy: 1.7350912571113135 Energy: 1.8455782693853773 Energy: 1.7350912571103247 Energy: 1.6636889490062052 Energy: 1.7350912571103247 Energy: 1.4574866613218458 Energy: 1.6571870618925926 Energy: 2.2153667886016337 Energy: 1.6571870618841864 Energy: 1.4574866613267905 Energy: 1.6571870618935816 Energy: 1.62184803244752 Energy: 1.731382582436259 Energy: 1.8797829251734801 Energy: 1.731382582437248 Energy: 1.621848032566641 Energy: 1.731382582437248 Energy: 1.313637293415065 Energy: 1.6204135995417062 Energy: 2.433138504448254 Energy: 1.620413599536267 Energy: 1.3136372934155596 Energy: 1.6204135995392337 Energy: 1.321098171118653 Energy: 1.7349904898259336 Energy: 1.8454569683131006 Energy: 1.7349904898264281 Energy: 1.3210981711191474 Energy: 1.7349904898264281 Energy: 1.4587000373332855 Energy: 1.6872114297153058 Energy: 1.994171318969791 Energy: 1.6872114297153058 Energy: 1.4587000373303187 Energy: 1.6872114297158003 Energy: 1.3049001127897648 Energy: 1.7296768779247809 Energy: 1.4254804376874817 Energy: 1.7296768779242864 Energy: 1.3049001127892705 Energy: 1.7296768779252751 Energy: 1.3128061658055028 Energy: 1.7263050022411142 Energy: 2.0070431033395044 Energy: 1.7263050022411142 Energy: 1.3128061658050083 Energy: 1.7263050022411142 Energy: 1.305891624662107 Energy: 1.7244191774709279 Energy: 1.4036368251132163 Energy: 1.7244191774709279 Energy: 1.3058916246581516 Energy: 1.7244191774704334 minimum gb energy = 1.304630706860605 eV minimum distance = 2.48773135958002 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.3993900271424654 Energy: 0.40081034610162614 Energy: 2.661359175339453 Energy: 0.40081034610294053 Energy: 0.39939002714280336 Energy: 0.4008103461026026 Energy: 0.43397896925383445 Energy: 1.2199348640635288 Energy: 1.0403153326807077 Energy: 1.2199348640645054 Energy: 0.433978969253534 Energy: 1.2199348640638668 Energy: 0.39939002714280336 Energy: 0.40081034610162614 Energy: 2.4915067491734306 Energy: 0.4008103461026026 Energy: 0.3993900271431038 Energy: 0.4008103461026026 Energy: 0.43397896925319607 Energy: 1.219934864062853 Energy: 1.0403153326803698 Energy: 1.2199348640638668 Energy: 0.433978969253534 Energy: 1.2199348640638668 Energy: 0.3993900271424654 Energy: 0.40081034610192656 Energy: 2.491506748586778 Energy: 0.4008103461026026 Energy: 0.3993900271421274 Energy: 0.4008103461026026 Energy: 0.43397896925218216 Energy: 1.2199348640631908 Energy: 1.0403153326800318 Energy: 1.2199348640641672 Energy: 0.43397896925319607 Energy: 1.2199348640641672 Energy: 0.39939002714280336 Energy: 0.40081034610162614 Energy: 2.4915067488933236 Energy: 0.4008103461026026 Energy: 0.39939002714280336 Energy: 0.40081034610226457 minimum gb energy = 0.3993900271421274 eV minimum distance = 2.65493188213435 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 2.1436586813130813 Energy: 1.737350655364196 Energy: 1.5512830748046584 Energy: 1.7373506553637872 Energy: 2.1436586813134895 Energy: 1.7373506553632965 Energy: 2.5813031581345594 Energy: 1.3014251545760724 Energy: 1.322484782865048 Energy: 1.301425154576481 Energy: 2.5813031581345594 Energy: 1.3014251545760724 Energy: 1.9254641015576452 Energy: 1.7120988384458207 Energy: 1.5532666778981141 Energy: 1.71209883844533 Energy: 1.925464101559444 Energy: 1.71209883844533 Energy: 2.4265226911537368 Energy: 1.5245212608055523 Energy: 1.288609507640157 Energy: 1.524521260804653 Energy: 2.426522691153328 Energy: 1.4569223874208017 Energy: 1.695681649822416 Energy: 1.6594386585859138 Energy: 1.31533583780659 Energy: 1.6594386585864045 Energy: 1.6956816498219256 Energy: 1.6594386585846057 Energy: 2.075367121033062 Energy: 1.5733748863285693 Energy: 1.323224615190736 Energy: 1.57337488632767 Energy: 2.075367121033471 Energy: 1.57337488632767 Energy: 1.5274734209008132 Energy: 1.6501884235911517 Energy: 1.4818016213573972 Energy: 1.650188423589353 Energy: 1.527473420901304 Energy: 1.6501884235884532 Energy: 1.834777454836728 Energy: 1.642412395728622 Energy: 1.368792146108553 Energy: 1.6424123957263328 Energy: 1.8347774548358284 Energy: 1.6175289382169944 Energy: 1.3495182597372035 Energy: 1.5554209683504812 Energy: 1.6461539973994272 Energy: 1.5554209683504812 Energy: 1.3495182597376127 Energy: 1.5554209683491729 Energy: 1.6778039519839667 Energy: 1.654920150563525 Energy: 1.625367735308603 Energy: 1.6549201505658142 Energy: 1.6778039519834762 Energy: 1.6549201505658142 Energy: 1.3171793809848393 Energy: 1.650220052714236 Energy: 1.8355767518652368 Energy: 1.6502200527133366 Energy: 1.3171793809853298 Energy: 1.650220052714236 Energy: 1.6840863139758029 Energy: 1.6927434135014825 Energy: 1.6850667781492163 Energy: 1.6927434135005832 Energy: 1.6840863139762934 Energy: 1.6818447527891813 Energy: 1.2858199949229634 Energy: 1.4240955954161532 Energy: 2.0395922342519426 Energy: 1.4240955954152539 Energy: 1.2858199949229634 Energy: 1.4240955954152539 Energy: 1.6834838071402547 Energy: 1.7112318818652534 Energy: 2.0103181466174433 Energy: 1.7112318818648444 Energy: 1.6834838071402547 Energy: 1.711231881864354 Energy: 1.451035788693275 Energy: 1.6043430187258714 Energy: 2.241686444298802 Energy: 1.6043430187262804 Energy: 1.4510357886937657 Energy: 1.6043430187267707 Energy: 1.3436524604620783 Energy: 1.7150233659042642 Energy: 2.0371984717987566 Energy: 1.7150233659029557 Energy: 1.3436524604616698 Energy: 1.717024995112784 Energy: 1.2862077688250706 Energy: 1.6105604185222442 Energy: 2.0393605684463254 Energy: 1.6105604185209357 Energy: 1.2862077688250706 Energy: 1.6105604185209357 Energy: 1.3383285089713954 Energy: 1.7113525691309344 Energy: 2.010797750393212 Energy: 1.711352569131425 Energy: 1.3383285089713954 Energy: 1.711352569131425 Energy: 1.4507825906195868 Energy: 1.6891991318235362 Energy: 1.9970529037854594 Energy: 1.6891991318235362 Energy: 1.4507825906204863 Energy: 1.6891991318239448 Energy: 1.2888176510011737 Energy: 1.704572564003405 Energy: 1.7062039069919939 Energy: 1.714229775936731 Energy: 1.2888176510011737 Energy: 1.717291106767235 Energy: 1.2858757790871702 Energy: 1.683815498196727 Energy: 1.905381663893461 Energy: 1.6838154981972178 Energy: 1.2858757790876607 Energy: 1.683815498198117 Energy: 1.3065382296728032 Energy: 1.7111293936404939 Energy: 1.6650358930431706 Energy: 1.7111293936400849 Energy: 1.3065382296728032 Energy: 1.7111293936404939 Energy: 1.616914766958392 Energy: 1.6544853786380926 Energy: 1.6269245356919422 Energy: 1.6544853786367029 Energy: 1.616914766958392 Energy: 1.6544853786371934 Energy: 1.6268587354791506 Energy: 1.7144402955068474 Energy: 1.3498857582763426 Energy: 1.7054057210523927 Energy: 1.6268587354791506 Energy: 1.717749077528974 Energy: 1.6240653019901246 Energy: 1.7027764074204246 Energy: 1.4565446693791282 Energy: 1.7027764074209153 Energy: 1.6240653019905333 Energy: 1.7027764074204246 Energy: 1.6494635902930792 Energy: 1.710849703969728 Energy: 1.331899084311921 Energy: 1.710849703969728 Energy: 1.6494635902930792 Energy: 1.710849703969728 Energy: 1.9982999943458202 Energy: 1.6946641669983444 Energy: 1.293130835828065 Energy: 1.6946641669992437 Energy: 1.9982999943454118 Energy: 1.6946641669988352 Energy: 2.012798332210671 Energy: 1.7142645064241069 Energy: 1.2858716151183027 Energy: 1.7142645064250062 Energy: 2.012798332210671 Energy: 1.718511944593029 Energy: 2.0094015433273857 Energy: 1.6994969538157634 Energy: 1.549782682855268 Energy: 1.699496953816254 Energy: 2.009401543326486 Energy: 1.699496953816254 Energy: 2.039430333599072 Energy: 1.7100242152976681 Energy: 1.2840713066980036 Energy: 1.7100242152985674 Energy: 2.039430333598663 Energy: 1.7100242152985674 Energy: 2.397393406505681 Energy: 1.7085290997640872 Energy: 1.2929295175075926 Energy: 1.7085290997640872 Energy: 2.3973934065047815 Energy: 1.7085290997640872 Energy: 2.012802926954303 Energy: 1.7051112124724865 Energy: 1.6284303485273217 Energy: 1.705111212472977 Energy: 2.0128029269547936 Energy: 1.705111212473386 Energy: 2.008588941874657 Energy: 1.655938948557183 Energy: 1.29571940470086 Energy: 1.6559389485566922 Energy: 2.008588941874657 Energy: 1.6559389485566922 Energy: 1.6494492127006595 Energy: 1.6968741359575839 Energy: 1.284238130503302 Energy: 1.6968741359575839 Energy: 1.6494492127006595 Energy: 1.6968741359571748 Energy: 1.9988817094998268 Energy: 1.7084698764817123 Energy: 1.3380067315053903 Energy: 1.7084698764817123 Energy: 1.9988817094993363 Energy: 1.7084698764822028 Energy: 1.6268451335003877 Energy: 1.6450468771449465 Energy: 1.63610037517261 Energy: 1.6450468771458457 Energy: 1.6268451335008782 Energy: 1.6450468771463362 Energy: 1.6232177374514416 Energy: 1.6559930552744893 Energy: 1.3553511200776347 Energy: 1.6559930552753888 Energy: 1.6232177374518504 Energy: 1.6559930552744893 Energy: 1.3065692216835685 Energy: 1.6533669782696037 Energy: 1.6295630793238303 Energy: 1.653366978270912 Energy: 1.306569221684468 Energy: 1.653366978270912 Energy: 1.617008441926883 Energy: 1.7091037113729333 Energy: 1.6819931925874012 Energy: 1.7091037113743235 Energy: 1.617008441926883 Energy: 1.7091037113738328 Energy: 1.2881925254647888 Energy: 1.5612446164025082 Energy: 2.004512718143815 Energy: 1.5612446164003007 Energy: 1.2881925254647888 Energy: 1.5612446164003007 Energy: 1.2856401450144177 Energy: 1.6562909153485725 Energy: 1.7007167125629774 Energy: 1.6562909153481635 Energy: 1.2856401450144177 Energy: 1.6562909153485725 Energy: 1.3374233055002271 Energy: 1.5838952137275255 Energy: 2.0001113899396796 Energy: 1.5838952137298148 Energy: 1.337423305500636 Energy: 1.5838952137293243 Energy: 1.2842942385251854 Energy: 1.7086711964258734 Energy: 2.093035991600247 Energy: 1.7086711964262822 Energy: 1.2842942385247766 Energy: 1.708671196426773 Energy: 1.288419364141111 Energy: 1.301441903095493 Energy: 2.240927148147319 Energy: 1.301441903097292 Energy: 1.288419364141111 Energy: 1.301441903097292 Energy: 1.33332928728096 Energy: 1.733287404782752 Energy: 2.117460476233314 Energy: 1.7332874047831608 Energy: 1.3333292872800604 Energy: 1.7332874047831608 Energy: 1.337148750531142 Energy: 1.3447750076630534 Energy: 2.243885238023129 Energy: 1.3447750076630534 Energy: 1.337148750531142 Energy: 1.3447750076635439 Energy: 1.353678375733781 Energy: 1.7087814012264508 Energy: 2.0911383221431605 Energy: 1.7087814012269416 Energy: 1.3536783757333724 Energy: 1.7087814012264508 Energy: 1.2885726499434125 Energy: 1.3295174211672052 Energy: 2.2144647433215128 Energy: 1.3295174211672052 Energy: 1.2885726499439032 Energy: 1.3295174211667964 Energy: 1.3327602268074759 Energy: 1.6566607615910112 Energy: 1.7047452913295364 Energy: 1.6566607615897027 Energy: 1.3327602268078849 Energy: 1.6566607615915014 Energy: 1.332985742249489 Energy: 1.5708430992214966 Energy: 1.836484603765584 Energy: 1.5708430992210058 Energy: 1.3329857422503886 Energy: 1.5708430992210058 Energy: 1.6715654419740549 Energy: 1.6483106536659509 Energy: 1.68217535529354 Energy: 1.6483106536672592 Energy: 1.6715654419745454 Energy: 1.6483106536659509 minimum gb energy = 1.2840713066980036 eV minimum distance = 2.45792415964461 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 2.0200496887842125 Energy: 1.9201580705754162 Energy: 1.7469003043515408 Energy: 1.9201580705760335 Energy: 2.0200496887842125 Energy: 1.9201580705747987 Energy: 2.453271773812277 Energy: 1.462373411708338 Energy: 1.4748330213471281 Energy: 1.462373411708338 Energy: 2.453271773812894 Energy: 1.462373411708338 Energy: 1.9698053961186155 Energy: 1.889990950775365 Energy: 1.7170030288437168 Energy: 1.889990950775365 Energy: 1.9698053961192328 Energy: 1.889990950775365 Energy: 1.947606996186194 Energy: 1.47062988605656 Energy: 1.4320409448419575 Energy: 1.47062988605656 Energy: 1.947606996185577 Energy: 1.47062988605656 Energy: 1.5391961448368843 Energy: 1.795328048288226 Energy: 1.593599820178684 Energy: 1.795328048288226 Energy: 1.5391961448375016 Energy: 1.795328048288226 Energy: 1.7174610205531655 Energy: 1.798835070978647 Energy: 1.4761960440778223 Energy: 1.7988350709780296 Energy: 1.7174610205537828 Energy: 1.7988350709780296 Energy: 1.4924235088832714 Energy: 1.797690189361255 Energy: 1.7033906294373726 Energy: 1.7976901893606378 Energy: 1.4924235088838884 Energy: 1.7976901893606378 Energy: 1.4983896180654332 Energy: 1.7868585852385828 Energy: 1.5395632033932134 Energy: 1.7868585852392 Energy: 1.4983896180654332 Energy: 1.7868585852385828 Energy: 1.4307471508910892 Energy: 1.614841461731329 Energy: 2.0670981898051664 Energy: 1.614841461731329 Energy: 1.430747150890472 Energy: 1.6148414617307114 Energy: 1.5362142850116356 Energy: 1.8813342106908757 Energy: 1.9623464458655957 Energy: 1.8813342106908757 Energy: 1.5362142850116356 Energy: 1.8813342106908757 Energy: 1.4239836396220718 Energy: 1.621593185847177 Energy: 2.207022656807388 Energy: 1.621593185847177 Energy: 1.4239836396220718 Energy: 1.621593185847177 Energy: 1.491397578539545 Energy: 1.9073037250632123 Energy: 2.015996410318458 Energy: 1.907303725062595 Energy: 1.491397578539545 Energy: 1.907303725062595 Energy: 1.4305638642216063 Energy: 1.8543342539457328 Energy: 2.077731832954521 Energy: 1.85433425394635 Energy: 1.4305638642216063 Energy: 1.8543342539457328 Energy: 1.4238026742910397 Energy: 1.8810364958946897 Energy: 1.9622290974964494 Energy: 1.881036495895307 Energy: 1.4238026742910397 Energy: 1.881036495895307 Energy: 1.423810274984653 Energy: 1.8523484786153317 Energy: 1.8995579985687048 Energy: 1.8523484786147146 Energy: 1.423810274984653 Energy: 1.8523484786147146 Energy: 1.4300959950272025 Energy: 1.9076525377664424 Energy: 1.5391970486645337 Energy: 1.9076525377658253 Energy: 1.4300959950272025 Energy: 1.9076525377652083 Energy: 1.4303231202612736 Energy: 1.799351821984178 Energy: 1.9201110751349006 Energy: 1.799351821984795 Energy: 1.4303231202612736 Energy: 1.799351821984795 Energy: 1.8903807360128013 Energy: 1.8798372482278072 Energy: 1.4927876134250944 Energy: 1.87983724822719 Energy: 1.8903807360128013 Energy: 1.879837248226573 Energy: 1.890627813767834 Energy: 1.8996610570206607 Energy: 1.4236393933421734 Energy: 1.8996610570200436 Energy: 1.890627813767834 Energy: 1.8996610570206607 Energy: 1.909404369158196 Energy: 1.9070243230424317 Energy: 1.4308736474212997 Energy: 1.9070243230411972 Energy: 1.9094043691575788 Energy: 1.9070243230418145 Energy: 1.909809396929324 Energy: 1.8882840830641854 Energy: 1.792366414916602 Energy: 1.8882840830641854 Energy: 1.909809396929324 Energy: 1.8882840830635683 Energy: 2.4385758612882427 Energy: 1.8798799748728003 Energy: 1.4237349401146628 Energy: 1.8798799748734176 Energy: 2.4385758612876254 Energy: 1.879879974874035 Energy: 2.439189420813094 Energy: 1.8799481182418467 Energy: 1.4236739936528233 Energy: 1.8799481182412296 Energy: 2.439189420813094 Energy: 1.8799481182412296 Energy: 1.9096277308801286 Energy: 1.8882280945873633 Energy: 1.6578199347294584 Energy: 1.8882280945873633 Energy: 1.909627730879511 Energy: 1.8882280945873633 Energy: 1.9094591957689522 Energy: 1.90679120166488 Energy: 1.430749836412469 Energy: 1.90679120166488 Energy: 1.9094591957695695 Energy: 1.9067912016654973 Energy: 1.89062645553729 Energy: 1.8994786916747537 Energy: 1.423762969917396 Energy: 1.8994786916747537 Energy: 1.89062645553729 Energy: 1.8994786916747537 Energy: 1.89036196130226 Energy: 1.8797999455970267 Energy: 1.4927625930260733 Energy: 1.8797999455964096 Energy: 1.89036196130226 Energy: 1.8797999455970267 Energy: 1.4303413057507859 Energy: 1.7990224176368 Energy: 1.6586202030441497 Energy: 1.7990224176368 Energy: 1.4303413057507859 Energy: 1.7990224176361826 Energy: 1.430051136814278 Energy: 1.907657758387361 Energy: 1.5392275528132504 Energy: 1.9076577583867438 Energy: 1.430051136814278 Energy: 1.9076577583867438 Energy: 1.4238164780133067 Energy: 1.8523484786153317 Energy: 1.9032096262672806 Energy: 1.8523484786153317 Energy: 1.4238164780133067 Energy: 1.8523484786147146 Energy: 1.4237908926082685 Energy: 1.8810777595552177 Energy: 1.9624305940345799 Energy: 1.8810777595552177 Energy: 1.4237908926082685 Energy: 1.8810777595552177 Energy: 1.4307415002686317 Energy: 1.8543597170664152 Energy: 2.172796417690911 Energy: 1.8543597170670323 Energy: 1.4307415002686317 Energy: 1.8543597170670323 Energy: 1.4914436353729368 Energy: 1.9073250036984803 Energy: 2.015794804179679 Energy: 1.907325003697863 Energy: 1.4914436353729368 Energy: 1.907325003697863 Energy: 1.4240029117463615 Energy: 1.621228154475581 Energy: 2.207042685800357 Energy: 1.621228154475581 Energy: 1.4240029117463615 Energy: 1.621228154474964 Energy: 1.5362142850091667 Energy: 1.8810412094053734 Energy: 1.962273739534853 Energy: 1.8810412094053734 Energy: 1.5362142850091667 Energy: 1.8810412094047562 Energy: 1.430726830363986 Energy: 1.6148084482695206 Energy: 1.9600576513663952 Energy: 1.614808448270138 Energy: 1.4307268303633687 Energy: 1.6148084482695206 Energy: 1.4985054312726498 Energy: 1.786377480081392 Energy: 1.5398100906232064 Energy: 1.7863774800820091 Energy: 1.4985054312726498 Energy: 1.7863774800820091 Energy: 1.4924420121584665 Energy: 1.797492628819149 Energy: 1.703809090113817 Energy: 1.797492628819149 Energy: 1.4924420121584665 Energy: 1.797492628819149 minimum gb energy = 1.4236393933421734 eV minimum distance = 2.39532271025333 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 2.200519001137671 Energy: 2.0756626563342118 Energy: 1.8885830222646196 Energy: 2.0756626563342118 Energy: 2.2005190011369127 Energy: 2.0756626563342118 Energy: 2.4673834161883628 Energy: 1.584279079222859 Energy: 1.5811524444169507 Energy: 1.5842790792221004 Energy: 2.4673834161876047 Energy: 1.584279079222859 Energy: 1.6841093619559426 Energy: 1.9549976886459781 Energy: 1.834433621302397 Energy: 1.9549976886452198 Energy: 1.6841093619559426 Energy: 1.9549976886467366 Energy: 2.1382300130262846 Energy: 1.569344696662385 Energy: 1.5336313797047436 Energy: 1.569344696662385 Energy: 2.1382300130262846 Energy: 1.569344696662385 Energy: 1.6044162675294085 Energy: 1.9563696347378443 Energy: 1.741230686745097 Energy: 1.9563696347378443 Energy: 1.6044162675294085 Energy: 1.9563696347378443 Energy: 1.6039025986652702 Energy: 1.959604328262283 Energy: 1.5859021878664041 Energy: 1.959604328262283 Energy: 1.6039025986652702 Energy: 1.959604328262283 Energy: 1.5341560333089836 Energy: 1.7598063067166387 Energy: 1.8760380626448179 Energy: 1.7598063067158807 Energy: 1.5341560333089836 Energy: 1.7598063067158807 Energy: 1.6741281017552836 Energy: 1.9553229446982243 Energy: 1.6975359285147218 Energy: 1.9553229446982243 Energy: 1.6741281017560417 Energy: 1.9553229446982243 Energy: 1.5204478482257686 Energy: 1.7534428636267338 Energy: 2.3303789705626596 Energy: 1.7534428636259756 Energy: 1.5204478482265267 Energy: 1.7534428636259756 Energy: 1.5987628996738938 Energy: 2.0272772593779322 Energy: 2.1461200773951252 Energy: 2.0272772593779322 Energy: 1.5987628996738938 Energy: 2.027277259377174 Energy: 1.534097543822006 Energy: 2.027662089321372 Energy: 1.872495465201044 Energy: 2.027662089321372 Energy: 1.534097543822006 Energy: 2.027662089321372 Energy: 1.52159101952493 Energy: 1.955386446603777 Energy: 1.6968707751354193 Energy: 1.955386446603777 Energy: 1.5215910195256885 Energy: 1.955386446603777 Energy: 1.5201333242315977 Energy: 1.5210061165034496 Energy: 1.9988032856531335 Energy: 1.5210061165034496 Energy: 1.5201333242315977 Energy: 1.5210061165034496 Energy: 1.5349155185588343 Energy: 2.026790768314213 Energy: 1.604812044592303 Energy: 2.026790768314213 Energy: 1.5349155185588343 Energy: 2.026790768314213 Energy: 1.5337911985548331 Energy: 1.9657170477472383 Energy: 1.5198764332432253 Energy: 1.9657170477479964 Energy: 1.5337911985548331 Energy: 1.9657170477479964 Energy: 2.1096563531012738 Energy: 1.7566493230531348 Energy: 1.5341971865041655 Energy: 1.7566493230531348 Energy: 2.1096563531012738 Energy: 1.7566493230531348 Energy: 2.108731393221257 Energy: 1.9494141817704678 Energy: 1.8147913097468298 Energy: 1.9494141817689512 Energy: 2.108731393221257 Energy: 1.9494141817689512 Energy: 2.1459174569343116 Energy: 2.0264561682492372 Energy: 1.5200844755142837 Energy: 2.026456168250753 Energy: 2.1459174569343116 Energy: 2.026456168250753 Energy: 2.1453999300199618 Energy: 2.0269044679357497 Energy: 1.5202830947586727 Energy: 2.026904467934992 Energy: 2.1453999300199618 Energy: 2.026904467934992 Energy: 2.1097688726068755 Energy: 2.053322761476542 Energy: 1.5338122890521628 Energy: 2.053322761476542 Energy: 2.1097688726068755 Energy: 2.053322761476542 Energy: 2.1084999090159853 Energy: 2.0817452249578516 Energy: 1.5824626157224595 Energy: 2.0817452249578516 Energy: 2.1084999090159853 Energy: 2.0817452249578516 Energy: 1.5355213611904892 Energy: 1.9664359696745954 Energy: 1.5197690369388313 Energy: 1.9664359696738376 Energy: 1.5355213611904892 Energy: 1.9664359696745954 Energy: 1.533568184932801 Energy: 2.026024143796464 Energy: 1.534786174619657 Energy: 2.026024143796464 Energy: 1.533568184932801 Energy: 2.026024143795706 Energy: 1.5226601722308215 Energy: 1.970561324250677 Energy: 1.5336752332207966 Energy: 1.970561324250677 Energy: 1.5226601722300634 Energy: 1.970561324250677 Energy: 1.5198069032596295 Energy: 2.0812845112989162 Energy: 1.6660023898710619 Energy: 2.0812845112989162 Energy: 1.5198069032596295 Energy: 2.0812845112989162 Energy: 1.535474747500641 Energy: 2.0265031804234153 Energy: 2.1244271946957176 Energy: 2.0265031804234153 Energy: 1.535474747500641 Energy: 2.0265031804241733 Energy: 1.6003274850347748 Energy: 2.026148048784586 Energy: 2.147740037713042 Energy: 2.026148048784586 Energy: 1.600327485035533 Energy: 2.026148048784586 Energy: 1.5228364486749284 Energy: 2.0275979125488717 Energy: 1.932430528239199 Energy: 2.0275979125481136 Energy: 1.5228364486749284 Energy: 2.0275979125481136 Energy: 1.6740614582586006 Energy: 1.9521282972924758 Energy: 1.665804359993922 Energy: 1.9521282972932341 Energy: 1.6740614582586006 Energy: 1.9521282972932341 Energy: 1.535884753304767 Energy: 1.7591848923597595 Energy: 1.876969610188418 Energy: 1.7591848923597595 Energy: 1.535884753304767 Energy: 1.7591848923597595 Energy: 1.5803501764125838 Energy: 1.9645819904055024 Energy: 1.5349942799749405 Energy: 1.9645819904055024 Energy: 1.580350176413342 Energy: 1.9645819904055024 minimum gb energy = 1.5197690369388313 eV minimum distance = 2.41501842319799 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 1.847270481263395 Energy: 2.155349142706812 Energy: 1.6530857993362873 Energy: 2.155349142706812 Energy: 1.847270481263395 Energy: 2.155349142706812 Energy: 2.127905749724995 Energy: 1.7422678950590715 Energy: 1.7297936619055394 Energy: 1.7422678950590715 Energy: 2.127905749724995 Energy: 1.74226789505809 Energy: 1.7375404891581494 Energy: 2.151888268662314 Energy: 1.6525312849341793 Energy: 2.151888268662314 Energy: 1.737540489159131 Energy: 2.151888268662314 Energy: 1.7370726490489026 Energy: 1.6540605304969513 Energy: 1.7285220083479895 Energy: 1.6540605304969513 Energy: 1.7370726490489026 Energy: 1.6540605304969513 Energy: 1.6744065117647187 Energy: 1.7295314030818185 Energy: 1.9478569614293848 Energy: 1.7295314030818185 Energy: 1.6744065117647187 Energy: 1.7295314030808369 Energy: 1.707321650951205 Energy: 2.1461863142217603 Energy: 1.739056398859046 Energy: 2.1461863142217603 Energy: 1.707321650952187 Energy: 2.1461863142217603 Energy: 1.6519701442136037 Energy: 1.927750257375097 Energy: 2.127937305614208 Energy: 1.927750257375097 Energy: 1.6519701442136037 Energy: 1.927750257375097 Energy: 1.7350991208021456 Energy: 2.146373491495788 Energy: 1.8463869342493056 Energy: 2.146373491495788 Energy: 1.7350991208011641 Energy: 2.146373491495788 Energy: 1.6745223672404448 Energy: 1.743309046831329 Energy: 1.6620304387689127 Energy: 1.743309046831329 Energy: 1.6745223672394631 Energy: 1.743309046831329 Energy: 1.6519404352886091 Energy: 2.165833564406096 Energy: 1.738941994531705 Energy: 2.165833564406096 Energy: 1.6519404352886091 Energy: 2.165833564406096 Energy: 1.6517343623184664 Energy: 1.652805299470442 Energy: 1.6521414477490688 Energy: 1.652805299470442 Energy: 1.6517343623184664 Energy: 1.652805299470442 Energy: 1.674327957472307 Energy: 1.9402605846321057 Energy: 1.7281692039257182 Energy: 1.940260584631124 Energy: 1.674327957472307 Energy: 1.940260584631124 Energy: 1.674334369368401 Energy: 2.1484753342714358 Energy: 1.6943394307624733 Energy: 2.1484753342714358 Energy: 1.674334369368401 Energy: 2.148475334272417 Energy: 2.0673986914699416 Energy: 2.194844099484623 Energy: 1.6518812010367758 Energy: 2.194844099484623 Energy: 2.0673986914640516 Energy: 2.194844099484623 Energy: 2.468324142736425 Energy: 2.1472671194571746 Energy: 1.699018057559059 Energy: 2.1472671194571746 Energy: 2.468324142736425 Energy: 2.1472671194571746 Energy: 1.6744078056472258 Energy: 2.146427138767824 Energy: 1.675415850333409 Energy: 2.146427138767824 Energy: 1.6744078056472258 Energy: 2.146427138767824 Energy: 1.6742016210613433 Energy: 1.9420638638486578 Energy: 1.6517111162538043 Energy: 1.9420638638486578 Energy: 1.6742016210613433 Energy: 1.9420638638476766 Energy: 1.6517874919931652 Energy: 1.9718976178070617 Energy: 1.6520489512342371 Energy: 1.9718976178070617 Energy: 1.6517874919921836 Energy: 1.971897617809962 Energy: 1.6516974489453884 Energy: 1.9419996914352697 Energy: 1.6742234264136 Energy: 1.9419996914352697 Energy: 1.6516974489453884 Energy: 1.9419996914352697 Energy: 1.6749591288712533 Energy: 2.1461248505409847 Energy: 1.6745826160248383 Energy: 2.146124850540003 Energy: 1.67495912886929 Energy: 2.146124850539021 Energy: 1.6988267990255712 Energy: 2.147761739509829 Energy: 2.468311509892528 Energy: 2.147761739509829 Energy: 1.6988267990275345 Energy: 2.147761739509829 Energy: 1.6518593958228398 Energy: 1.927466961153952 Energy: 2.067133569663343 Energy: 1.927466961153952 Energy: 1.6518593958218581 Energy: 1.927466961153952 Energy: 1.7407639007192792 Energy: 2.1485313806684534 Energy: 1.6743250114426562 Energy: 2.1485313806694353 Energy: 1.7407639007202609 Energy: 2.1485313806694353 Energy: 1.7280162310433564 Energy: 1.9400575382594576 Energy: 1.6744401366899235 Energy: 1.940057538258476 Energy: 1.7280162310433564 Energy: 1.940057538258476 minimum gb energy = 1.6516974489453884 eV minimum distance = 2.41448836215769 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 1.8381570328469086 Energy: 1.8391200505085423 Energy: 2.1876664369204164 Energy: 1.8391200505085423 Energy: 1.8381570328469086 Energy: 1.8391200505085423 Energy: 1.8475742332605736 Energy: 1.8296024178169463 Energy: 1.831300274145759 Energy: 1.8296024178169463 Energy: 1.847574233261962 Energy: 1.8296024178169463 Energy: 1.829309079028269 Energy: 1.8293936934832198 Energy: 2.186845962819091 Energy: 1.8293936934832198 Energy: 1.829309079028269 Energy: 1.8293936934832198 Energy: 1.899502298850269 Energy: 1.8283150711871239 Energy: 1.826539981822293 Energy: 1.8283150711871239 Energy: 1.8995022988488808 Energy: 1.8283150711871239 Energy: 1.8277896428423177 Energy: 1.8299943064587216 Energy: 1.8490481624691448 Energy: 1.8299943064587216 Energy: 1.8277896428423177 Energy: 1.8299943064587216 Energy: 1.8281003641401066 Energy: 1.8367269337300112 Energy: 1.8354101495284707 Energy: 1.8367269337300112 Energy: 1.8281003641401066 Energy: 1.8367269337300112 Energy: 1.8371469028810918 Energy: 2.0472515680102243 Energy: 1.8473618117767598 Energy: 2.047251568008836 Energy: 1.8371469028810918 Energy: 2.0472515680102243 Energy: 1.827516390361127 Energy: 2.162246687912755 Energy: 1.826734814681531 Energy: 2.1622466879113666 Energy: 1.8275163903597387 Energy: 2.1622466879113666 Energy: 1.827668198542738 Energy: 1.8288041064541165 Energy: 2.0145105308960614 Energy: 1.8288041064527283 Energy: 1.827668198542738 Energy: 1.8288041064541165 Energy: 1.8375556771138912 Energy: 1.8070148403516664 Energy: 1.8314739758137615 Energy: 1.8070148403516664 Energy: 1.8375556771138912 Energy: 1.8070148403516664 Energy: 1.8370208077883743 Energy: 2.1581812566207597 Energy: 1.8305341622373392 Energy: 2.158181256619372 Energy: 1.8370208077883743 Energy: 2.158181256619372 Energy: 1.8286358245161651 Energy: 1.8309707916815383 Energy: 1.84504687987641 Energy: 1.8309707916815383 Energy: 1.8286358245161651 Energy: 1.83097079168015 Energy: 1.8277369658080516 Energy: 2.0720248143435627 Energy: 1.8293897010465114 Energy: 2.0720248143435627 Energy: 1.8277369658094398 Energy: 2.0720248143435627 Energy: 1.8300474751748106 Energy: 1.8289509746775485 Energy: 1.835857599747918 Energy: 1.828950974678937 Energy: 1.8300474751748106 Energy: 1.8289509746775485 Energy: 1.8362396832812444 Energy: 2.1457901629250857 Energy: 1.8365171128751188 Energy: 2.1457901629250857 Energy: 1.8362396832812444 Energy: 2.1457901629250857 Energy: 1.8431283936116947 Energy: 2.159805209656955 Energy: 1.8442809502975328 Energy: 2.1598052096555667 Energy: 1.8431283936103064 Energy: 2.159805209656955 Energy: 1.8295844269369805 Energy: 1.8305527308148255 Energy: 1.8281504228699386 Energy: 1.8305527308148255 Energy: 1.8295844269369805 Energy: 1.8305527308148255 minimum gb energy = 1.8070148403516664 eV minimum distance = 2.43759382612993 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 2.4275889661381376 Energy: 2.4332380172481893 Energy: 2.585832891744935 Energy: 2.4332380172481893 Energy: 2.4275889661381376 Energy: 2.4332380172481893 Energy: 2.2332814086907296 Energy: 1.8630244166575745 Energy: 1.845439365066005 Energy: 1.8630244166575745 Energy: 2.2332814086901935 Energy: 1.8630244166586467 Energy: 1.8459291308457415 Energy: 1.950944971535232 Energy: 2.2241072200968754 Energy: 1.950944971534696 Energy: 1.8459291308462775 Energy: 1.9509449715336238 Energy: 1.8626734843568167 Energy: 2.24914536962202 Energy: 1.9519677199838736 Energy: 2.2491453696252366 Energy: 1.8626734843578885 Energy: 2.249145369622556 Energy: 1.8426733281550352 Energy: 1.9089876698962134 Energy: 2.267896752987114 Energy: 1.9089876698967494 Energy: 1.8426733281544994 Energy: 1.9089876698972856 Energy: 2.0081473061992345 Energy: 2.259545226536108 Energy: 1.9821672142810878 Energy: 2.2595452265339637 Energy: 2.0081473061981625 Energy: 2.2595452265344997 Energy: 1.8478051045161672 Energy: 1.9722985188659545 Energy: 2.2528402190346473 Energy: 1.9722985188648825 Energy: 1.8478051045156312 Energy: 1.9722985188638105 Energy: 2.2148996179844715 Energy: 2.054626269624077 Energy: 1.842185153302707 Energy: 2.054626269625685 Energy: 2.2148996179844715 Energy: 2.0546262696230047 Energy: 1.983517816288397 Energy: 2.2607491641822692 Energy: 1.863560522778603 Energy: 2.2607491641822692 Energy: 1.9835178162878608 Energy: 2.260749164181733 Energy: 2.4602739389435317 Energy: 1.9112532022928301 Energy: 1.8501220847176865 Energy: 1.9402206860528657 Energy: 2.4602739389429957 Energy: 1.9112532022928301 Energy: 1.9533144156433222 Energy: 2.3348634286466186 Energy: 1.9839527915057573 Energy: 2.334863428647155 Energy: 1.9533144156433222 Energy: 2.3348634286466186 Energy: 1.8672078652183532 Energy: 2.2693468237825662 Energy: 1.862191323923158 Energy: 2.269346823771308 Energy: 1.8672078652194255 Energy: 2.2693468237857823 Energy: 1.8515395424912213 Energy: 2.0652921626321668 Energy: 2.4781101009183715 Energy: 2.0652921626353833 Energy: 1.8515395424912213 Energy: 2.0652921626359193 Energy: 1.863695491540066 Energy: 2.4996452167960546 Energy: 2.428057633316579 Energy: 2.499645216795518 Energy: 1.863695491538994 Energy: 2.499645216795518 Energy: 1.8486341119965701 Energy: 2.5725647792133404 Energy: 1.9499136441558762 Energy: 2.5725647792122683 Energy: 1.8486341119971061 Energy: 2.5725647792122683 Energy: 1.9527350881290226 Energy: 2.335670368696471 Energy: 1.8623149181588825 Energy: 2.44007765593832 Energy: 1.9527350881290226 Energy: 2.335670368695399 Energy: 1.9676417883488384 Energy: 2.4258859595098365 Energy: 1.8620944972457498 Energy: 2.425885959510373 Energy: 1.967641788347766 Energy: 2.4258859595098365 Energy: 2.43686245685981 Energy: 2.2158686923400115 Energy: 1.8580122444638967 Energy: 2.215868692341084 Energy: 2.4368624568603456 Energy: 2.21586869234162 Energy: 2.200802264246246 Energy: 2.1842652363691992 Energy: 1.8416506753781239 Energy: 2.1842652363504365 Energy: 2.2008022642392766 Energy: 2.184265236392202 Energy: 1.8416769006580809 Energy: 2.1452359492441766 Energy: 1.8412619774501744 Energy: 2.5685041025126907 Energy: 1.8416769006580809 Energy: 2.145235949336871 Energy: 1.841810115437383 Energy: 2.1842686024508775 Energy: 2.423112390590515 Energy: 2.184268602450342 Energy: 1.841810115437919 Energy: 2.184268602449806 Energy: 1.8580002618619849 Energy: 2.217521691393888 Energy: 2.445112721376555 Energy: 2.2175216913928155 Energy: 1.8580002618614486 Energy: 2.217521691393888 Energy: 1.8493860407872094 Energy: 2.423929945079735 Energy: 1.9675943126158262 Energy: 2.423929945079735 Energy: 1.8493860407872094 Energy: 2.423929945079735 Energy: 1.8621958208169636 Energy: 2.2861878874146986 Energy: 1.9531817622388579 Energy: 2.329726237949012 Energy: 1.8621958208169636 Energy: 2.2861878874146986 Energy: 1.9494325567779764 Energy: 2.5725382815926388 Energy: 1.861819143550691 Energy: 2.5725382815926388 Energy: 1.9494325567774404 Energy: 2.5725382815921027 Energy: 2.4280320963497135 Energy: 2.4996324507893175 Energy: 1.8635426472037262 Energy: 2.4996324507893175 Energy: 2.428032096350786 Energy: 2.4996324507898535 Energy: 2.4787404903922234 Energy: 2.0588419367118607 Energy: 1.851911070101525 Energy: 2.058841936697386 Energy: 2.4787404903922234 Energy: 2.058841936665757 Energy: 1.862211019626369 Energy: 2.260946893462607 Energy: 1.866752191819878 Energy: 2.2609468934652877 Energy: 1.862211019625833 Energy: 2.2609468934652877 Energy: 1.982787521023765 Energy: 2.3381858644630102 Energy: 1.95346964805126 Energy: 2.3381858644635463 Energy: 1.982787521023765 Energy: 2.3381858644624742 Energy: 1.8501442727660773 Energy: 2.0326049908652983 Energy: 2.4601123958385447 Energy: 2.0326049908652983 Energy: 1.8501442727660773 Energy: 2.0326049908652983 Energy: 1.8639511293346545 Energy: 2.2609351566592046 Energy: 1.9833253551360603 Energy: 2.2609351566586686 Energy: 1.8639511293341184 Energy: 2.2609351566575966 Energy: 1.842186906386728 Energy: 2.0551273755079644 Energy: 2.2147326309514175 Energy: 2.055127375518101 Energy: 1.842186906386728 Energy: 2.055127375565813 Energy: 2.2531567988792567 Energy: 1.9717403640584996 Energy: 1.847807417512192 Energy: 1.9717403640584996 Energy: 2.2531567988797927 Energy: 1.9717403640584996 Energy: 1.9821046625015883 Energy: 2.2593078984057917 Energy: 2.00695373744789 Energy: 2.2593078984057917 Energy: 1.9821046625015883 Energy: 2.259307898403647 Energy: 2.235519716746015 Energy: 1.9089876698956774 Energy: 1.8426523451536632 Energy: 1.9089876698956774 Energy: 2.2355197167444065 Energy: 1.9089876698956774 Energy: 1.9521304965717188 Energy: 2.2508038547082583 Energy: 1.8619089455814672 Energy: 2.2508038547071862 Energy: 1.9521304965711825 Energy: 2.2508038547082583 Energy: 2.2238648695803884 Energy: 1.949141076427497 Energy: 1.8454907405331766 Energy: 1.949141076428569 Energy: 2.223864869580925 Energy: 1.949141076429105 Energy: 1.845432638758371 Energy: 1.8627021966335633 Energy: 2.23333437140298 Energy: 1.8627021966340993 Energy: 1.845432638757835 Energy: 1.8627021966340993 Energy: 2.252779607931534 Energy: 2.4332380172481893 Energy: 2.427588966135457 Energy: 2.4332380172481893 Energy: 2.2527796079309983 Energy: 2.4332380172481893 Energy: 1.845439365066005 Energy: 1.8630244166581107 Energy: 2.233281408691266 Energy: 1.8630244166575745 Energy: 1.845439365065469 Energy: 1.8630244166575745 Energy: 2.2241072200952674 Energy: 1.950944971535232 Energy: 1.8459291308457415 Energy: 1.950944971534696 Energy: 2.224107220094195 Energy: 1.950944971535232 Energy: 1.9519677199838736 Energy: 2.2491453696247006 Energy: 1.8626734843541364 Energy: 2.2491453696257726 Energy: 1.9519677199838736 Energy: 2.249145369623628 Energy: 2.267896752987114 Energy: 1.9089876698962134 Energy: 1.8426733281544994 Energy: 1.9089876698972856 Energy: 2.267896752986578 Energy: 1.9089876698962134 minimum gb energy = 1.8412619774501744 eV minimum distance = 2.41384920623878 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 1.9952170221844294 Energy: 2.41194911680355 Energy: 2.277790252518366 Energy: 2.4119491168052956 Energy: 1.9952170221844294 Energy: 2.411949116804423 Energy: 1.9936275896708517 Energy: 1.8231119019858242 Energy: 1.822986293715543 Energy: 1.8231119019840785 Energy: 1.9936275896708517 Energy: 1.8231119019840785 Energy: 1.804927723324985 Energy: 1.9937191661871163 Energy: 2.2154680081138447 Energy: 1.9937191661897349 Energy: 1.804927723324985 Energy: 1.9937191661862432 Energy: 2.1244256527550625 Energy: 1.9609120462805327 Energy: 1.9599188442861848 Energy: 1.960912046281406 Energy: 2.1244256527541894 Energy: 1.9609120462822784 Energy: 1.8113760027002286 Energy: 1.8952830626269799 Energy: 2.077143803276692 Energy: 1.895283062624361 Energy: 1.8113760027002286 Energy: 1.8952830626261068 Energy: 1.994679110856955 Energy: 1.9602833638889965 Energy: 1.9601485921528372 Energy: 1.9602833638889965 Energy: 1.9946791109816973 Energy: 1.9602833638881236 Energy: 1.8113480322046112 Energy: 1.9844559008434317 Energy: 1.8214871982181937 Energy: 1.9844559008443048 Energy: 1.8113480322046112 Energy: 1.9844559008434317 Energy: 1.805765095133817 Energy: 1.8884261630353936 Energy: 1.823036682790846 Energy: 1.8884261630371393 Energy: 1.8057650950178037 Energy: 1.8884261630432495 Energy: 1.9971814632668883 Energy: 2.4505268721411824 Energy: 1.8207998646284063 Energy: 2.4505268721420554 Energy: 1.9971814632668883 Energy: 2.4505268721403093 Energy: 1.985849225380794 Energy: 1.8231170673180526 Energy: 1.8388953140078454 Energy: 1.8231170673189254 Energy: 1.9858492253799214 Energy: 1.823117067321544 Energy: 1.8112375937156637 Energy: 2.1282009432451785 Energy: 1.9632718925744768 Energy: 2.1282009432460516 Energy: 1.8112375937156637 Energy: 2.128200943244306 Energy: 1.895516116214197 Energy: 1.9652698353013056 Energy: 1.9659833093097225 Energy: 1.9652698353021785 Energy: 1.8955161162150698 Energy: 1.9652698353021785 Energy: 1.8153235468530722 Energy: 2.2644722541079245 Energy: 1.9612381525919458 Energy: 2.2644722541026874 Energy: 1.8153235468521993 Energy: 2.2644722541018147 Energy: 1.991081219028277 Energy: 2.3037873948434795 Energy: 1.9667495009508922 Energy: 2.303787394844352 Energy: 1.9910812190291496 Energy: 2.3037873948434795 Energy: 1.8042926920811058 Energy: 1.984098839768214 Energy: 1.8207920966339928 Energy: 1.984098839768214 Energy: 1.8042926920811058 Energy: 1.9840988397699597 Energy: 2.354808458975256 Energy: 2.2193287979645087 Energy: 1.8385683341701968 Energy: 2.2193287979645087 Energy: 2.3548084590642095 Energy: 2.219328797962763 Energy: 2.007562089790186 Energy: 2.5084436452140157 Energy: 1.821638853295062 Energy: 2.508443645210524 Energy: 2.007562089790186 Energy: 2.5084436452131427 Energy: 1.9810645828511033 Energy: 1.9847837032679425 Energy: 1.8218571741406855 Energy: 1.9847837032688154 Energy: 1.9810645828511033 Energy: 1.9847837032670699 Energy: 1.8045789437479725 Energy: 2.129952699436032 Energy: 1.9616626940219881 Energy: 2.1299526994334137 Energy: 1.8045789437462263 Energy: 2.129952699442142 Energy: 1.9862086984137126 Energy: 2.5266415719315116 Energy: 1.9790044712842632 Energy: 2.526641571930639 Energy: 1.9862086984163314 Energy: 2.526641571929766 Energy: 1.8101004444553208 Energy: 2.2637824574454566 Energy: 1.9626397149461943 Energy: 2.263782457446329 Energy: 1.8101004444570663 Energy: 2.263782457446329 Energy: 1.804445136170564 Energy: 2.130089874399929 Energy: 1.9804283426770966 Energy: 2.13008987426987 Energy: 1.8044451361714366 Energy: 2.1300898745403822 Energy: 1.8039608997557652 Energy: 1.98676457708773 Energy: 1.8210657598170867 Energy: 1.9867645770903486 Energy: 1.8039608997548924 Energy: 1.9867645770868574 Energy: 2.0169616952139684 Energy: 2.52253888991149 Energy: 1.821435480845206 Energy: 2.52253888991149 Energy: 2.0169616952139684 Energy: 2.5225388899106176 Energy: 1.99846847790951 Energy: 2.2761143443305945 Energy: 1.8216612966858088 Energy: 2.276114344335832 Energy: 1.9984684779130013 Energy: 2.276114344336705 Energy: 1.803986278579833 Energy: 1.9858618261463463 Energy: 1.8200684128472437 Energy: 1.9858618261463463 Energy: 1.8039862785815792 Energy: 1.9858618261463463 Energy: 1.8045214456016572 Energy: 2.1310067709390603 Energy: 1.971596248387411 Energy: 2.131006770941679 Energy: 1.8045214456007845 Energy: 2.131006770940806 minimum gb energy = 1.8039608997548924 eV minimum distance = 2.35955111049072 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 2.0435006330063072 Energy: 2.374849416124428 Energy: 2.3964639244408916 Energy: 2.374849416124428 Energy: 2.0435006330063072 Energy: 2.374849416124428 Energy: 2.019514819441607 Energy: 1.860904995526661 Energy: 1.830083030306785 Energy: 1.860904995527297 Energy: 2.019514819440335 Energy: 1.860904995527297 Energy: 1.8293333285099902 Energy: 2.0092254880128984 Energy: 2.1049562637628734 Energy: 2.0092254880135343 Energy: 1.8293333285099902 Energy: 2.0092254880135343 Energy: 2.3544740876191574 Energy: 2.3453657363831035 Energy: 1.9875929655896047 Energy: 2.3453657363824676 Energy: 2.3544740876191574 Energy: 2.3453657363831035 Energy: 1.846871782900913 Energy: 1.936008856872421 Energy: 2.0804470680708174 Energy: 1.9360088568495257 Energy: 1.846871782900913 Energy: 1.936008856867333 Energy: 2.3343893212585205 Energy: 1.9784566281690257 Energy: 1.8456138282363868 Energy: 1.9784566281677536 Energy: 2.3343893212591564 Energy: 1.9784566281683897 Energy: 1.8495950480227576 Energy: 1.978016524040366 Energy: 1.859892213084751 Energy: 1.97801652403973 Energy: 1.8495950480233938 Energy: 1.97801652403973 Energy: 2.098609245041026 Energy: 1.9320738528134602 Energy: 1.8463659727461297 Energy: 1.9320738528140962 Energy: 2.098609245041662 Energy: 1.9320738528153683 Energy: 1.98927146805092 Energy: 2.3457314770048616 Energy: 2.3595796493620282 Energy: 2.3457314770048616 Energy: 1.98927146805092 Energy: 2.3457314770048616 Energy: 2.1958105249866753 Energy: 2.0106374741216926 Energy: 1.8301482025186475 Energy: 2.0106374741210566 Energy: 2.1958105250051188 Energy: 2.0106374741216926 Energy: 1.8332011778738801 Energy: 1.9132971807777244 Energy: 2.3545260199935933 Energy: 1.9132971807770884 Energy: 1.8332011778738801 Energy: 1.9132971807783603 Energy: 1.8603694809943239 Energy: 2.5477335810656094 Energy: 2.0473993104894386 Energy: 2.547733581066881 Energy: 1.860369480992416 Energy: 2.5477335810662454 Energy: 1.8290485398346679 Energy: 1.858160855697195 Energy: 2.0267965816552227 Energy: 1.858160855697195 Energy: 1.8290485398346679 Energy: 1.858160855697195 Energy: 1.9909229730302134 Energy: 2.1010954098700303 Energy: 1.8300569326462768 Energy: 2.1010954098700303 Energy: 1.9909229730295772 Energy: 2.1010954098713026 Energy: 1.9970122639962438 Energy: 2.3096009563887163 Energy: 1.887055484569261 Energy: 2.309598564907771 Energy: 1.9970122639962438 Energy: 2.3096027325275226 Energy: 1.978004672088183 Energy: 2.011348089434952 Energy: 1.8445683035842741 Energy: 2.011348089419052 Energy: 1.978004672089455 Energy: 2.011348089693045 Energy: 1.8449325773245813 Energy: 2.119831370884567 Energy: 1.9916523887074935 Energy: 2.1198313708648517 Energy: 1.8449325773226732 Energy: 2.1198313708788437 Energy: 1.8571738059351306 Energy: 1.979637245504967 Energy: 1.8447407446160615 Energy: 1.979637245504331 Energy: 1.8571738059364027 Energy: 1.979637245504967 Energy: 1.8689259952033668 Energy: 2.0790157999875243 Energy: 1.98943712218518 Energy: 2.079015799986253 Energy: 1.8689259952040027 Energy: 2.079015799986253 Energy: 1.8304946029303542 Energy: 2.2671782493878094 Energy: 1.9904171738813325 Energy: 2.2671782493897177 Energy: 1.8304946029316258 Energy: 2.2671782493814496 Energy: 1.8304691885892823 Energy: 2.011863033268088 Energy: 1.8578598539067006 Energy: 2.01186303326618 Energy: 1.8304691885899183 Energy: 2.011863033265544 Energy: 2.5863417349579123 Energy: 2.104870064065508 Energy: 1.829436777992017 Energy: 2.104870064820708 Energy: 2.5863417349566404 Energy: 2.1048700642313833 Energy: 2.5695426714527323 Energy: 2.1944460415573386 Energy: 1.859696849264915 Energy: 2.19444604155861 Energy: 2.5695426714527323 Energy: 2.194446041559246 Energy: 1.8278259485288912 Energy: 2.01257389421129 Energy: 1.8599633820922639 Energy: 2.0125738942131988 Energy: 1.827825948528255 Energy: 2.012573894211926 Energy: 1.8296628779625277 Energy: 2.2594378624059956 Energy: 1.9893270025858207 Energy: 2.2594378624053597 Energy: 1.8296628779612558 Energy: 2.2594378624053597 Energy: 1.8690112194628508 Energy: 2.29497394727935 Energy: 1.988671826360941 Energy: 2.29497394727935 Energy: 1.8690112194628508 Energy: 2.294973947279986 Energy: 1.8706810071961506 Energy: 2.0103390941496655 Energy: 1.9808218622894078 Energy: 2.0103390939182257 Energy: 1.8706810071961506 Energy: 2.0103390942208375 Energy: 1.9781060674615383 Energy: 2.5931329814936577 Energy: 1.977340410681825 Energy: 2.5931329814942936 Energy: 1.9781060674621742 Energy: 2.5931329814942936 Energy: 1.9772963427087376 Energy: 2.0103627067237015 Energy: 1.865010544341347 Energy: 2.010362717379293 Energy: 1.9772963427074655 Energy: 2.010362462974126 Energy: 1.9898558590994022 Energy: 2.296824549213971 Energy: 1.8691753820636618 Energy: 2.2968245492126993 Energy: 1.9898558590968582 Energy: 2.296824549209519 Energy: 1.9888899056209595 Energy: 2.2596286653043824 Energy: 1.8298691264194284 Energy: 2.2596286652961144 Energy: 1.9888899056215954 Energy: 2.2596286652992945 Energy: 1.8599180541730118 Energy: 2.0134125438243022 Energy: 1.832903540378208 Energy: 2.0134125438204866 Energy: 1.8599180541730118 Energy: 2.0134125438262105 Energy: 1.8608742625926102 Energy: 2.1952308971572325 Energy: 2.3046251829624596 Energy: 2.1952308971591403 Energy: 1.8608742625919743 Energy: 2.1952308971559606 Energy: 1.8293481389415391 Energy: 2.1051068447075436 Energy: 2.588612887469027 Energy: 2.1051068447145393 Energy: 1.8293481389415391 Energy: 2.1051068447081795 Energy: 1.8574151827093617 Energy: 2.0135162450485233 Energy: 1.8293377523771173 Energy: 2.013516245050432 Energy: 1.8574151827087255 Energy: 2.013516245049796 Energy: 2.0031039808141227 Energy: 2.2632564806438644 Energy: 1.8285107220476602 Energy: 2.263256480675028 Energy: 2.0031039808134867 Energy: 2.263256480575815 minimum gb energy = 1.827825948528255 eV minimum distance = 2.37223515598461 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 1.7662175218648712 Energy: 1.76603460452201 Energy: 2.031564011632166 Energy: 1.76603460452132 Energy: 1.7662175218646585 Energy: 1.7660346045215587 Energy: 2.2305319102966097 Energy: 1.7674708268621282 Energy: 1.765930038761325 Energy: 1.7674708268618895 Energy: 2.2305319102961576 Energy: 1.7674708268625798 Energy: 1.765922649481523 Energy: 1.767183749304414 Energy: 2.230691772692702 Energy: 1.767183749304414 Energy: 1.7659226494817621 Energy: 1.767183749304653 Energy: 2.423372538176668 Energy: 1.7660346045215587 Energy: 1.76621752186511 Energy: 1.7660346045217712 Energy: 2.423372538175739 Energy: 1.7660346045215587 Energy: 1.7659300387615642 Energy: 1.767470826862341 Energy: 2.2305319102961576 Energy: 1.7674708268621282 Energy: 1.765930038761325 Energy: 1.767470826862341 Energy: 2.230691772692702 Energy: 1.767183749304175 Energy: 1.765922649481523 Energy: 1.767183749304414 Energy: 2.230691772692941 Energy: 1.767183749304175 Energy: 1.76621752186511 Energy: 1.766034604522249 Energy: 2.4233725381808635 Energy: 1.7660346045217712 Energy: 1.7662175218648712 Energy: 1.766034604522249 Energy: 2.2305319102968486 Energy: 1.7674708268625798 Energy: 1.765930038761325 Energy: 1.767470826862341 Energy: 2.2305319102966097 Energy: 1.7674708268621282 Energy: 1.765922649481523 Energy: 1.767183749304414 Energy: 2.230691772692702 Energy: 1.767183749303936 Energy: 1.765922649481523 Energy: 1.7671837493048652 Energy: 1.9889924947061635 Energy: 1.76603460452201 Energy: 1.76621752186511 Energy: 1.7660346045215587 Energy: 1.9889924947070927 Energy: 1.7660346045215587 minimum gb energy = 1.765922649481523 eV minimum distance = 2.42921024941995 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 2.4049070347612607 Energy: 2.027435419175595 Energy: 2.6195912369130414 Energy: 2.027435419176294 Energy: 2.4049070347612607 Energy: 2.027435419178392 Energy: 2.4359250845274123 Energy: 1.9185493390234856 Energy: 1.795062970745105 Energy: 1.918549339022087 Energy: 2.435925083360825 Energy: 1.918549339019989 Energy: 1.8234772645301067 Energy: 1.822777829247146 Energy: 2.0688644816848423 Energy: 1.8227778292485448 Energy: 1.8234772645294077 Energy: 1.8227778292478454 Energy: 2.545487555144531 Energy: 2.4145250447279456 Energy: 1.9076215688560172 Energy: 2.4145250447279456 Energy: 2.545487555144531 Energy: 2.4145250447258477 Energy: 1.8834221861747287 Energy: 1.8847682644772552 Energy: 2.4996535545582006 Energy: 1.8847682644779549 Energy: 1.8834221861747287 Energy: 1.8847682644779549 Energy: 2.095439683639313 Energy: 1.9107711083793117 Energy: 1.8028545061199321 Energy: 1.9107711083807102 Energy: 2.095439683640012 Energy: 1.9107711083807102 Energy: 1.883504568855772 Energy: 1.8851039156289213 Energy: 2.162188288064819 Energy: 1.885103915628222 Energy: 1.883504568855772 Energy: 1.8851039156289213 Energy: 1.8852005286021656 Energy: 2.361860622546677 Energy: 1.9096050629519405 Energy: 2.3618606225501737 Energy: 1.8852005286021656 Energy: 2.361860622546677 Energy: 1.8235497659398288 Energy: 2.2784922373665983 Energy: 2.373920536034943 Energy: 2.2784922373679968 Energy: 1.8235497659391293 Energy: 2.2784922373665983 Energy: 1.8252224014833751 Energy: 1.9181148258837408 Energy: 1.793371371661652 Energy: 1.9181148258837408 Energy: 1.8252224014833751 Energy: 1.9181148258837408 Energy: 2.356982910411992 Energy: 1.7947524174319756 Energy: 1.919018837202395 Energy: 1.7947524174424645 Energy: 2.356982910411992 Energy: 1.7947524174165914 Energy: 2.4057228839536626 Energy: 2.1742853138263794 Energy: 1.7933674841097473 Energy: 2.1742853138256795 Energy: 2.4057228839529636 Energy: 2.1742853138256795 Energy: 1.8233180363167791 Energy: 2.0094911234412205 Energy: 1.7955780163107624 Energy: 2.00949112344192 Energy: 1.8233180363167791 Energy: 2.00949112344262 Energy: 1.8250605371752358 Energy: 2.0431215140684014 Energy: 1.9159015462478461 Energy: 2.0431215140684014 Energy: 1.8250605371752358 Energy: 2.0431215140698 Energy: 1.8846094356897893 Energy: 2.1661959799751584 Energy: 1.9108479535371645 Energy: 2.166195979974459 Energy: 1.8846094356904888 Energy: 2.1661959799751584 Energy: 1.8849265176318968 Energy: 2.258161588893527 Energy: 1.7995447282984751 Energy: 2.258161588898422 Energy: 1.8849265176318968 Energy: 2.258161588897023 Energy: 1.884518310088994 Energy: 2.2446509987258203 Energy: 1.8004774916361677 Energy: 2.2446509987244223 Energy: 1.8845183100882945 Energy: 2.2446509987244223 Energy: 1.8844025187921147 Energy: 2.069197693614525 Energy: 1.9096511429570322 Energy: 2.069197693614525 Energy: 1.884402518791415 Energy: 2.0691976936138254 Energy: 1.8234230994862732 Energy: 2.0430830999009504 Energy: 1.9100405690572029 Energy: 2.0430830999009504 Energy: 1.8234230994862732 Energy: 2.0430830999009504 Energy: 1.8235007220009583 Energy: 1.9214431646858092 Energy: 1.7949793518214199 Energy: 1.9214431646865082 Energy: 1.8235007220002586 Energy: 1.9214431646872077 Energy: 2.3835775314339904 Energy: 2.1737305960624216 Energy: 1.7937079463978778 Energy: 2.173730596061023 Energy: 2.3835775314339904 Energy: 2.1737305960603237 Energy: 2.359378337489014 Energy: 1.7929971604414017 Energy: 1.915959748237548 Energy: 1.792997160442101 Energy: 2.3593783374897135 Energy: 1.792997160442101 Energy: 1.82445378339608 Energy: 1.9178274856578583 Energy: 1.7938201074545863 Energy: 1.9178274856571593 Energy: 1.824453783396779 Energy: 1.9178274856543625 Energy: 1.8232643908073483 Energy: 2.278130747490834 Energy: 2.3733436056980923 Energy: 2.2781307474915335 Energy: 1.823264390808048 Energy: 2.2781307474915335 Energy: 1.8859416687090211 Energy: 2.0692764599298727 Energy: 1.912758944682824 Energy: 2.0692764599298727 Energy: 1.8859416687062243 Energy: 2.069276459930572 Energy: 1.8848788906517038 Energy: 2.074870576375578 Energy: 1.912621339745954 Energy: 2.074870576376976 Energy: 1.8848788906517038 Energy: 2.074870576375578 Energy: 1.885176465333819 Energy: 2.159262670184612 Energy: 1.8028104147907345 Energy: 2.159262670184612 Energy: 1.885176465333819 Energy: 2.1592626701860107 Energy: 1.8849616000652023 Energy: 2.0325198544596925 Energy: 2.372542730650649 Energy: 2.0325198544596925 Energy: 1.8849616000645026 Energy: 2.032519854460392 Energy: 2.0324444863427273 Energy: 2.2999757687359867 Energy: 1.9080825557886973 Energy: 2.2999757687366857 Energy: 2.032444486343427 Energy: 2.2999757687359867 Energy: 1.8251251945922924 Energy: 1.8238859961261804 Energy: 2.095568424763109 Energy: 1.8238859961254814 Energy: 1.8251251945922924 Energy: 1.8238859961254814 Energy: 2.4370367986714676 Energy: 1.9270806347134164 Energy: 1.799904813162317 Energy: 1.9270806347134164 Energy: 2.437036798670768 Energy: 1.9270806347134164 Energy: 2.362508289731904 Energy: 2.3468916284425325 Energy: 1.9268613022186554 Energy: 2.3468916284418335 Energy: 2.362508289731205 Energy: 2.3468916284418335 Energy: 2.4369053545291663 Energy: 1.9171703528896826 Energy: 1.7933194409725068 Energy: 1.9171703528903816 Energy: 2.436905354529866 Energy: 1.9171703528903816 minimum gb energy = 1.7929971604414017 eV minimum distance = 2.40763229299132 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 1.8901395169312818 Energy: 1.8827001625357684 Energy: 2.6038375639355866 Energy: 1.8827001625357684 Energy: 1.8901395169322783 Energy: 1.8827001625357684 Energy: 2.4901959453234666 Energy: 1.8297478137804877 Energy: 1.818149650704377 Energy: 1.8297478137794911 Energy: 2.490195945851328 Energy: 1.8297478137804877 Energy: 1.840974325863451 Energy: 1.9294882367101887 Energy: 2.15319477119994 Energy: 1.9294882367101887 Energy: 1.840974325863451 Energy: 1.9294882367101887 Energy: 2.490332944582242 Energy: 2.300659410498374 Energy: 1.820910825565848 Energy: 2.3006594104973774 Energy: 2.490332944582242 Energy: 2.3006594104973774 Energy: 1.8162942610599067 Energy: 2.5309823943397975 Energy: 2.4970911358058467 Energy: 2.5309823943397975 Energy: 1.8162942610599067 Energy: 2.5309823943397975 Energy: 1.8186410341368109 Energy: 2.3418634485443137 Energy: 1.818033564770672 Energy: 2.3418634485463063 Energy: 1.8186410341358143 Energy: 2.3418634485463063 Energy: 1.840927167602742 Energy: 1.8320608930426918 Energy: 1.8377256506246415 Energy: 1.8320608930426918 Energy: 1.840927167601746 Energy: 1.8320608930426918 Energy: 1.8314504762637318 Energy: 2.2628650893901407 Energy: 2.470281668329679 Energy: 2.2628650895763753 Energy: 1.831450476264728 Energy: 2.2628650895893285 Energy: 1.8454850238510077 Energy: 2.152991930429189 Energy: 2.4800948228018194 Energy: 2.152991930429189 Energy: 1.8454850238500116 Energy: 2.152991930429189 Energy: 1.853580316142015 Energy: 1.8320601063884987 Energy: 1.8495308712976173 Energy: 1.8320601063865054 Energy: 1.853580316142015 Energy: 1.8320601063884987 Energy: 1.8288936759303682 Energy: 2.275649000674012 Energy: 1.8372078890585477 Energy: 2.275649000675008 Energy: 1.8288936759303682 Energy: 2.275649000674012 Energy: 1.8320576811507503 Energy: 1.9529961696146998 Energy: 1.832115426274732 Energy: 1.9529961696146998 Energy: 1.8320576811507503 Energy: 1.9529961696146998 Energy: 1.8371807641395288 Energy: 2.275154432294626 Energy: 1.8289019912644278 Energy: 2.275154432294626 Energy: 1.8371807641355435 Energy: 2.2751544322966186 Energy: 1.8496137353147715 Energy: 1.8324782789498526 Energy: 1.8536087838009796 Energy: 1.832478278948856 Energy: 1.8496137353157678 Energy: 1.832478278948856 Energy: 2.4800539906808843 Energy: 2.1523463554890476 Energy: 1.8452483433571443 Energy: 2.1523463835419805 Energy: 2.4800539906808843 Energy: 2.152346359774622 Energy: 2.4703506543792746 Energy: 2.2633264255428953 Energy: 1.8305107985469267 Energy: 2.2633264255428953 Energy: 2.4703506543792746 Energy: 2.2633264255428953 Energy: 1.837399959196057 Energy: 1.8323035747207579 Energy: 1.8128082183237038 Energy: 1.832303574718765 Energy: 1.837399959196057 Energy: 1.832303574717769 Energy: 1.8177944119013154 Energy: 2.342572725801502 Energy: 1.8262552613026608 Energy: 2.342572725801502 Energy: 1.8177944119013154 Energy: 2.342572725801502 Energy: 2.497088415292387 Energy: 2.531023112893545 Energy: 1.8167879868385661 Energy: 2.531023112892549 Energy: 2.4970884152913904 Energy: 2.531023112893545 Energy: 1.8210069220722782 Energy: 2.3004423807151735 Energy: 2.490386194511187 Energy: 2.3004423807131804 Energy: 1.8210069220722782 Energy: 2.3004423807141765 Energy: 2.1534193809405355 Energy: 1.9294882367101887 Energy: 1.8383851971517058 Energy: 1.9294882367101887 Energy: 2.1534193809405355 Energy: 1.9294882367101887 Energy: 1.8181280895522536 Energy: 1.8302644456253896 Energy: 2.4879077145111346 Energy: 1.830264445624393 Energy: 1.8181280895512575 Energy: 1.830264445624393 Energy: 2.6038375639355866 Energy: 1.8827001625357684 Energy: 1.8901395169312818 Energy: 1.8827001625357684 Energy: 2.6038375639355866 Energy: 1.8827001625357684 minimum gb energy = 1.8128082183237038 eV minimum distance = 2.4679892666485 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 2.210725682689473 Energy: 1.8542292377856024 Energy: 2.5459388730285655 Energy: 1.8542292377843381 Energy: 2.210725682689473 Energy: 1.8542292377862346 Energy: 2.550710216862051 Energy: 2.1970046083819152 Energy: 1.8094527678624721 Energy: 2.1970046083819152 Energy: 2.550710216862051 Energy: 2.1970046083819152 Energy: 1.8107659548374282 Energy: 1.8919071404207939 Energy: 2.369922037299378 Energy: 1.8919071404207939 Energy: 1.8107659548380604 Energy: 1.8919071404214258 Energy: 1.900643646681147 Energy: 2.236827820341368 Energy: 1.8309462181203149 Energy: 2.236827820340736 Energy: 1.900643646681147 Energy: 2.2368278203420005 Energy: 2.1509506409269963 Energy: 2.3246775453592723 Energy: 2.110699012837652 Energy: 2.324677545358009 Energy: 2.1509506409263635 Energy: 2.3246775453592723 Energy: 2.1384900886883114 Energy: 2.1497915680116435 Energy: 1.8198193869646446 Energy: 2.1497915680116435 Energy: 2.1384900886902076 Energy: 2.0715967593726865 Energy: 1.8081150755137168 Energy: 1.8269122965420739 Energy: 1.8314153466628333 Energy: 1.8269122965420739 Energy: 1.8081150755137168 Energy: 1.826912296542706 Energy: 1.8310540678990843 Energy: 2.308107845349892 Energy: 2.1372108055061902 Energy: 2.308107845349892 Energy: 1.8310540678984517 Energy: 2.308107845349892 Energy: 2.1139740261313635 Energy: 2.1122552630999545 Energy: 2.1400625876886856 Energy: 2.1122552630999545 Energy: 2.1139740261319955 Energy: 2.1122552630999545 Energy: 1.8280518821486837 Energy: 2.025310136755412 Energy: 1.8132389126017618 Energy: 2.1195846429690866 Energy: 1.8280518821486837 Energy: 2.025310136755412 Energy: 1.8086799098891255 Energy: 2.2859850014137972 Energy: 1.8312448392996168 Energy: 2.2859850014150616 Energy: 1.8086799098897577 Energy: 2.2859850014144296 Energy: 1.808169838779521 Energy: 1.9350570949855836 Energy: 2.5248559792398737 Energy: 1.9350570949824235 Energy: 1.808169838779521 Energy: 1.9350570949843198 Energy: 2.124738863944956 Energy: 2.3310846147318984 Energy: 2.2001028035243704 Energy: 2.3310846147312665 Energy: 2.1247388639455878 Energy: 2.3310846147318984 Energy: 1.8094755499674724 Energy: 2.2403027135582727 Energy: 1.8172009770695328 Energy: 2.2403027135570084 Energy: 1.8094755499668402 Energy: 2.2403027135589046 Energy: 2.110224706345894 Energy: 1.898334628434133 Energy: 1.8055709946991876 Energy: 1.8983346284328686 Energy: 2.1102247063484216 Energy: 1.898334628433501 Energy: 1.8306968162358572 Energy: 2.1953472937694007 Energy: 2.449628833701166 Energy: 2.1953472937694007 Energy: 1.8306968162364892 Energy: 2.1953472937694007 Energy: 2.5468319204345167 Energy: 2.0280101425465022 Energy: 2.1649011468246964 Energy: 2.0280101425427093 Energy: 2.5468319204345167 Energy: 2.028010142544606 Energy: 1.8038412705931022 Energy: 1.8246468309443675 Energy: 2.4089461498258355 Energy: 1.8246468309437354 Energy: 1.8038412705924702 Energy: 1.8246468309443675 Energy: 2.1821147003496772 Energy: 1.826246154639111 Energy: 1.8059893379378562 Energy: 1.826246154639111 Energy: 2.1821147003496772 Energy: 1.826246154639111 Energy: 2.176131146129743 Energy: 2.027635770468552 Energy: 1.832714816083547 Energy: 2.027635770472288 Energy: 2.176131146129743 Energy: 2.027635770476712 Energy: 2.5205935949023934 Energy: 2.2139569031793735 Energy: 1.8242992992840261 Energy: 2.2139569031781092 Energy: 2.5205935949023934 Energy: 2.2139569031781092 Energy: 1.806256923392315 Energy: 2.1773287221673545 Energy: 2.110244228436607 Energy: 2.1773287221667226 Energy: 1.806256923391683 Energy: 2.1773287221667226 Energy: 1.8320058727711304 Energy: 2.287087517695166 Energy: 1.8036529628176847 Energy: 2.287087517695166 Energy: 1.8320058727711304 Energy: 2.287087517694534 Energy: 2.205348284194951 Energy: 2.379423775678915 Energy: 1.8074364621451606 Energy: 2.3794237756801793 Energy: 2.205348284194951 Energy: 2.379423775679547 Energy: 2.5079164108582983 Energy: 1.9370961845738466 Energy: 1.8076678494111653 Energy: 1.9370961846187251 Energy: 2.5079164108582983 Energy: 1.9370961846041872 Energy: 1.827768323401806 Energy: 2.281547472927208 Energy: 1.8081030397883595 Energy: 2.281547472927208 Energy: 1.8277683234011737 Energy: 2.281547472927208 Energy: 1.8053848757702045 Energy: 2.176959826725757 Energy: 2.1137155644233934 Energy: 2.1769598267263888 Energy: 1.8053848757702045 Energy: 2.176959826725757 Energy: 2.1384159021584472 Energy: 2.1012401066614967 Energy: 1.827679774611945 Energy: 2.1012401066564403 Energy: 2.1384159021578153 Energy: 2.1012401066614967 Energy: 2.139747265422965 Energy: 2.3082245795265064 Energy: 1.8316111600227758 Energy: 2.308224579527139 Energy: 2.1397472654210685 Energy: 2.308224579527139 Energy: 1.831272234226799 Energy: 1.8278486239194396 Energy: 1.8043196059930524 Energy: 1.827848623917543 Energy: 1.8312722342261671 Energy: 1.8278486239181755 Energy: 1.8086016660700686 Energy: 2.0737225764411633 Energy: 2.5205055961841865 Energy: 2.0737225764411633 Energy: 1.8086016660700686 Energy: 2.0737225764405314 Energy: 2.112645667589341 Energy: 2.037524976886178 Energy: 2.176532729583547 Energy: 2.0375249768874424 Energy: 2.112645667589341 Energy: 2.03752497688681 Energy: 1.8279095412715123 Energy: 2.17523133469064 Energy: 2.222864241128523 Energy: 2.17523133469064 Energy: 1.8279095412715123 Energy: 2.1752313346912717 Energy: 2.3917672508822294 Energy: 1.8919087327100133 Energy: 1.8123064346538305 Energy: 1.891908732709381 Energy: 2.3917672508809646 Energy: 1.891908732709381 Energy: 1.8065588855138874 Energy: 2.1901079464948694 Energy: 2.3288445749827424 Energy: 2.1901079464961333 Energy: 1.8065588855132553 Energy: 2.1901079464961333 Energy: 2.1260233694378186 Energy: 2.0650737211528085 Energy: 2.222728550000435 Energy: 2.0650737211534405 Energy: 2.1260233694378186 Energy: 2.0650737211534405 Energy: 1.8043515291896142 Energy: 2.3191483900793544 Energy: 2.539019337771873 Energy: 2.319148390077458 Energy: 1.8043515291896142 Energy: 2.3191483900749303 minimum gb energy = 1.8036529628176847 eV minimum distance = 2.37246047734447 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 1.692067435698858 Energy: 1.6541606745077861 Energy: 2.770744227732082 Energy: 1.6541606745181412 Energy: 1.692067435698858 Energy: 1.6541606745284958 Energy: 2.5061450072051468 Energy: 1.64617441243517 Energy: 1.6459292350502674 Energy: 1.6461744124386217 Energy: 2.5061450072051468 Energy: 1.646174412436896 Energy: 1.6926246930077258 Energy: 1.9166188940010092 Energy: 1.6489262603493133 Energy: 1.9166188940010092 Energy: 1.6926246930077258 Energy: 1.9166188940010092 Energy: 2.4659368644643784 Energy: 1.6489072605604678 Energy: 1.6459692413418967 Energy: 1.6489072605621933 Energy: 2.465936864460927 Energy: 1.6489072605621933 Energy: 1.6898700059961789 Energy: 2.2531478136559837 Energy: 1.6498551185100463 Energy: 2.2531478136559837 Energy: 1.6898700059979048 Energy: 2.2531478136559837 Energy: 1.6935511832302237 Energy: 1.724316928521385 Energy: 1.6479908926487317 Energy: 1.7243169285196593 Energy: 1.6935511832302237 Energy: 1.7243169285196593 Energy: 2.461995228189307 Energy: 1.646811426206014 Energy: 1.6537175484337314 Energy: 1.646811426206014 Energy: 2.461995228189307 Energy: 1.646811426206014 Energy: 1.6946033235738807 Energy: 1.6469392753809302 Energy: 1.6585718119639776 Energy: 1.6469392753809302 Energy: 1.6946033235738807 Energy: 1.6469392753792045 Energy: 2.362212909329689 Energy: 1.7228557932634916 Energy: 1.6467858734944507 Energy: 1.7228557932634916 Energy: 2.3622129093314146 Energy: 1.7228557932634916 Energy: 1.6949405519816845 Energy: 1.647602087674126 Energy: 1.6469999672806943 Energy: 1.6476020876724002 Energy: 1.69494055198341 Energy: 1.647602087674126 Energy: 2.3765335287871316 Energy: 1.64676655403914 Energy: 1.6523686676005698 Energy: 1.6467665642841312 Energy: 2.3765335287871316 Energy: 1.6467665543254666 Energy: 1.68593191012681 Energy: 1.9087978060658837 Energy: 2.412311512501589 Energy: 1.9087978060658837 Energy: 1.68593191012681 Energy: 1.9087978060658837 Energy: 2.377268324447958 Energy: 1.6466058511541228 Energy: 1.6523980477725175 Energy: 1.6466058512231156 Energy: 2.377268324447958 Energy: 1.6466058511834614 Energy: 1.6943543913836612 Energy: 1.6476744219055126 Energy: 1.6463222110572633 Energy: 1.6476744219055126 Energy: 1.6943543913836612 Energy: 1.6476744219055126 minimum gb energy = 1.6459292350502674 eV minimum distance = 2.5456635851924 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 2.303016895761695 Energy: 1.9159463961946692 Energy: 2.4286967008055504 Energy: 1.9159463961992178 Energy: 2.303016895762453 Energy: 1.9159463962037324 Energy: 2.2749649713462854 Energy: 2.4406954864521384 Energy: 1.9013751021171301 Energy: 2.440695486451381 Energy: 2.274964971345527 Energy: 2.4406954864521384 Energy: 1.9044308123427598 Energy: 2.067926710120423 Energy: 1.9054286853923712 Energy: 2.067926710121181 Energy: 1.9044308123427598 Energy: 2.067926710121181 Energy: 1.9229252485591024 Energy: 2.032335960221126 Energy: 1.9014424631507638 Energy: 2.0323359602218845 Energy: 1.9229252485591024 Energy: 2.0323359602218845 Energy: 2.1878463816671463 Energy: 2.161026228639904 Energy: 1.9288422793923308 Energy: 2.161026228639904 Energy: 2.1878463816671463 Energy: 2.1610262286406625 Energy: 1.9519668219413742 Energy: 2.2037454164451273 Energy: 2.1804265495458632 Energy: 2.2037454164458854 Energy: 1.9519668219413742 Energy: 2.203745416446644 Energy: 1.923583876476191 Energy: 2.2090514382110205 Energy: 1.9512477895382245 Energy: 2.2090514382110205 Energy: 1.9235838764754327 Energy: 2.209051438210262 Energy: 1.9050427147870346 Energy: 2.030945414483193 Energy: 2.009248203782254 Energy: 2.030945414483193 Energy: 1.9050427147870346 Energy: 2.030945414483193 Energy: 2.1869259428718095 Energy: 2.1250134919198205 Energy: 1.9009997256623288 Energy: 2.1250134919198205 Energy: 2.1869259428725676 Energy: 2.1250134919198205 Energy: 1.9028903773214743 Energy: 2.443719278410127 Energy: 2.042310321839193 Energy: 2.443719278410127 Energy: 1.902890377324507 Energy: 2.443719278410127 Energy: 2.2126883925196665 Energy: 2.0031372756931716 Energy: 2.242166473838628 Energy: 2.0031372756946877 Energy: 2.2126883925196665 Energy: 2.003137275695446 Energy: 1.901282538912077 Energy: 2.202786071098414 Energy: 2.2186718023688443 Energy: 2.202786071098414 Energy: 1.901282538912077 Energy: 2.202786071097656 Energy: 1.9031907887481185 Energy: 2.2480314055397814 Energy: 2.046699486193764 Energy: 2.248031405538265 Energy: 1.9031907887488768 Energy: 2.2480314055397814 Energy: 1.9223879170725515 Energy: 2.1249754266215684 Energy: 1.929995012823806 Energy: 2.1249754266208103 Energy: 1.92238791707331 Energy: 2.1249754266215684 Energy: 1.9015143397424354 Energy: 2.3455090154677802 Energy: 2.1186170349712743 Energy: 2.3455090154677802 Energy: 1.9015143397431937 Energy: 2.3455090154677802 Energy: 2.4369238816444274 Energy: 2.4356089686281037 Energy: 1.9924545445185435 Energy: 2.4356089686281037 Energy: 2.4369238816444274 Energy: 2.4356089686281037 Energy: 1.9512911351548285 Energy: 2.432666458547544 Energy: 2.1185277351434015 Energy: 2.432666458547544 Energy: 1.9512911351555864 Energy: 2.432666458548302 Energy: 2.1907501108881164 Energy: 2.4148327877905023 Energy: 1.9009076524627353 Energy: 2.4148327877905023 Energy: 2.1907501108881164 Energy: 2.4148327877905023 Energy: 1.9257596573794264 Energy: 1.927474921999917 Energy: 1.9237709527155162 Energy: 1.9274749220029495 Energy: 1.9257596573801847 Energy: 1.927474921999917 Energy: 1.9046829699444985 Energy: 2.2281879512479374 Energy: 1.9004318054403646 Energy: 2.2281879512479374 Energy: 1.9046829699444985 Energy: 2.2281879512479374 Energy: 2.2151529793853446 Energy: 2.2021614068078486 Energy: 1.9018224253491287 Energy: 2.2021614068093647 Energy: 2.2151529793853446 Energy: 2.2021614068070905 Energy: 2.23151157161258 Energy: 1.9185315307135276 Energy: 2.1585678329942573 Energy: 1.9185315307120459 Energy: 2.231511571687602 Energy: 1.9185315307128041 Energy: 2.041692296217699 Energy: 2.440893582707626 Energy: 1.9425250126613836 Energy: 2.440893582707626 Energy: 2.041692296217699 Energy: 2.440893582707626 Energy: 1.9023412742252896 Energy: 2.125212759802338 Energy: 2.255241262813251 Energy: 2.125212759802338 Energy: 1.9023412742245311 Energy: 2.125212759802338 Energy: 2.0102981546886776 Energy: 2.0309530089505725 Energy: 1.9028544407814758 Energy: 2.0309530089513306 Energy: 2.0102981546886776 Energy: 2.0309530089513306 Energy: 1.9523162695471745 Energy: 2.2091420389610157 Energy: 1.923180691486308 Energy: 2.2091420389602567 Energy: 1.9523162695471745 Energy: 2.2091420389610157 Energy: 2.181362193858949 Energy: 2.2038407864857295 Energy: 2.1887418269911927 Energy: 2.2038407864857295 Energy: 2.181362193858949 Energy: 2.2038407864864875 Energy: 1.9264747167981175 Energy: 2.1608473272991713 Energy: 1.951725281586523 Energy: 2.1608473272984132 Energy: 1.9264747167981175 Energy: 2.1608473272991713 Energy: 1.9038694900170086 Energy: 2.0320406352186824 Energy: 1.9227382346196706 Energy: 2.0320406352186824 Energy: 1.9038694900170086 Energy: 2.0320406352186824 Energy: 1.906994824222797 Energy: 2.2138715062843057 Energy: 1.9041159788877617 Energy: 2.2138715062843057 Energy: 1.906994824222797 Energy: 2.2138715062843057 Energy: 1.900287438427111 Energy: 2.4416228246520983 Energy: 2.2572588803310647 Energy: 2.4416228246520983 Energy: 1.9002874384278694 Energy: 2.4416228246520983 minimum gb energy = 1.900287438427111 eV minimum distance = 2.42126461445124 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 1.9961110444992791 Energy: 2.1302519875083035 Energy: 2.1141450958158643 Energy: 2.1302519875069548 Energy: 1.9961110444992791 Energy: 2.1302519875083035 Energy: 1.9332550857035433 Energy: 2.0849227605271943 Energy: 1.9129435512294377 Energy: 2.0849227605271943 Energy: 1.9332550857035433 Energy: 2.106780542175409 Energy: 1.9134316623827885 Energy: 2.086473931162844 Energy: 1.9137950200038387 Energy: 2.086473931162844 Energy: 1.9134316623841376 Energy: 2.086473931162844 Energy: 1.9147861944110176 Energy: 2.3472675420336 Energy: 1.9135100701957874 Energy: 2.343726341027635 Energy: 1.9147861944110176 Energy: 2.109292690360838 Energy: 1.9137490930292027 Energy: 2.08639487049216 Energy: 1.9129315061221521 Energy: 2.08639487049216 Energy: 1.9137490930292027 Energy: 2.08639487049216 Energy: 1.9131130551838746 Energy: 2.1067633999092936 Energy: 1.933398641269272 Energy: 2.1067633999092936 Energy: 1.9131130551838746 Energy: 2.1067633999092936 Energy: 2.114145095814515 Energy: 2.1302519875083035 Energy: 1.9961110444992791 Energy: 2.1302519875069548 Energy: 2.114145095813166 Energy: 2.1302519875083035 Energy: 1.912943551230787 Energy: 2.106780542175409 Energy: 1.9332550857035433 Energy: 2.106780542175409 Energy: 1.9129435512294377 Energy: 2.152480877672808 Energy: 1.9137950200024896 Energy: 2.086473931162844 Energy: 1.9134316623827885 Energy: 2.086473931164193 Energy: 1.9137950200038387 Energy: 2.086473931162844 Energy: 1.9135100701957874 Energy: 2.3472675420349494 Energy: 1.9147861944110176 Energy: 2.109292690360838 Energy: 1.9135100701957874 Energy: 2.4235717677196984 Energy: 1.9129315061181047 Energy: 2.08639487049216 Energy: 1.9137490930292027 Energy: 2.08639487049216 Energy: 1.912931506119454 Energy: 2.08639487049216 Energy: 1.933398641269272 Energy: 2.1067633999092936 Energy: 1.9131130551838746 Energy: 2.1067633999092936 Energy: 1.933398641269272 Energy: 2.1067633999092936 Energy: 1.9961110444992791 Energy: 2.1302519875083035 Energy: 2.3719711452687062 Energy: 2.1302519875069548 Energy: 1.9961110444979302 Energy: 2.1302519875083035 Energy: 1.9332550857035433 Energy: 2.106780542175409 Energy: 1.912943551230787 Energy: 2.106780542175409 Energy: 1.9332550857035433 Energy: 2.106780542175409 Energy: 1.9134316623841376 Energy: 2.086473931162844 Energy: 1.9137950200038387 Energy: 2.086473931162844 Energy: 1.9134316623827885 Energy: 2.086473931162844 Energy: 1.914786194412367 Energy: 2.109292690360838 Energy: 1.9135100701957874 Energy: 2.109292690360838 Energy: 1.9147861944110176 Energy: 2.109292690360838 Energy: 1.9137490930292027 Energy: 2.08639487049216 Energy: 1.912931506119454 Energy: 2.08639487049216 Energy: 1.9137490930292027 Energy: 2.08639487049216 minimum gb energy = 1.9129315061181047 eV minimum distance = 2.4518433540116 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 2.180347712923815 Energy: 2.35131547044064 Energy: 2.0893250047441367 Energy: 2.3513154704417416 Energy: 2.180347712923815 Energy: 2.3513154704417416 Energy: 2.080233169782749 Energy: 2.2614231401086404 Energy: 1.9890957861111396 Energy: 2.261423140110843 Energy: 2.080233169782749 Energy: 2.2614231401097418 Energy: 1.987235712817143 Energy: 2.0804516501353714 Energy: 1.9910374993874314 Energy: 2.080451650134269 Energy: 1.9872357128182443 Energy: 2.080451650133168 Energy: 2.0125809529704544 Energy: 2.0759604021001214 Energy: 2.0854737401301175 Energy: 2.0759604021001214 Energy: 2.0125809529693526 Energy: 2.0759604021012232 Energy: 2.0909940935762186 Energy: 2.31056136230297 Energy: 1.9909598839940363 Energy: 2.310561362301869 Energy: 2.0909940935762186 Energy: 2.310561362301869 Energy: 2.012879934127452 Energy: 2.075785203328399 Energy: 2.0804911166295508 Energy: 2.075785203328399 Energy: 2.012879934127452 Energy: 2.075785203328399 Energy: 2.0128113581636664 Energy: 2.220447500068486 Energy: 1.9927065566900517 Energy: 2.2204475000717903 Energy: 2.012811358164768 Energy: 2.2204475000717903 Energy: 2.088661318637363 Energy: 2.2425346152867536 Energy: 1.9893540051355545 Energy: 2.2425346152878554 Energy: 2.088661318637363 Energy: 2.2425346152878554 Energy: 2.0857359784294385 Energy: 2.2300815676512857 Energy: 2.0954321373505373 Energy: 2.2300815675984613 Energy: 2.0857359784294385 Energy: 2.2300815675455863 Energy: 2.0960604779845666 Energy: 2.1191717344724204 Energy: 2.021210578737629 Energy: 2.1191717344790297 Energy: 2.0960604779845666 Energy: 2.119171734440475 Energy: 1.9887843010494803 Energy: 2.0821842997592617 Energy: 2.0854322175254 Energy: 2.082184299757058 Energy: 1.9887843010494803 Energy: 2.0821842997581594 Energy: 1.9857255235900597 Energy: 2.080807685422016 Energy: 2.0891556882950595 Energy: 2.080807685422016 Energy: 1.985725523588958 Energy: 2.0808076854242192 Energy: 1.9894438934767762 Energy: 2.058873290745801 Energy: 2.036171714668158 Energy: 2.0588732907446996 Energy: 1.9894438934756744 Energy: 2.058873290748004 Energy: 1.9858663794164573 Energy: 2.177798231779613 Energy: 2.0900793361836087 Energy: 2.177798231778511 Energy: 1.9858663794153557 Energy: 2.177798231778511 Energy: 2.0900204492784615 Energy: 2.121815091715406 Energy: 2.037491484069201 Energy: 2.1218150917165075 Energy: 2.0900204492784615 Energy: 2.121815091714305 Energy: 2.0855264082641245 Energy: 2.2298519436609916 Energy: 2.0885398106617608 Energy: 2.2298519436609916 Energy: 2.0855264082641245 Energy: 2.2298519436609916 Energy: 2.0851591120515627 Energy: 2.2341108468317388 Energy: 2.032246473902894 Energy: 2.2341108468284343 Energy: 2.0851591120515627 Energy: 2.234110846829536 Energy: 2.2017054148480937 Energy: 2.3371512015194904 Energy: 2.021754516580821 Energy: 2.3371512015194904 Energy: 2.2017054148480937 Energy: 2.3371512015194904 Energy: 1.9897414236831568 Energy: 2.1765619772670255 Energy: 2.120386635315193 Energy: 2.1765619772648224 Energy: 1.9897414236831568 Energy: 2.1765619772659237 Energy: 1.9854219955979628 Energy: 2.187376982572586 Energy: 2.021651625452686 Energy: 2.187376982571485 Energy: 1.9854219955990642 Energy: 2.187376982572586 Energy: 1.9902359877606652 Energy: 2.0773088329764784 Energy: 2.085776875075306 Energy: 2.0773088329775797 Energy: 1.990235987759564 Energy: 2.0773088329764784 minimum gb energy = 1.9854219955979628 eV minimum distance = 2.46868299176872 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 2.239832962301003 Energy: 2.0762810196399295 Energy: 2.1276807090894274 Energy: 2.0762810196417862 Energy: 2.239832962301003 Energy: 2.0762810196380723 Energy: 2.1124192213309025 Energy: 2.259312701635901 Energy: 2.045697309619515 Energy: 2.259312701636829 Energy: 2.112419221331831 Energy: 2.259312701635901 Energy: 2.026093244732041 Energy: 2.0333044738203796 Energy: 2.0447262964607953 Energy: 2.0333044738194506 Energy: 2.0260932447329694 Energy: 2.0333044738194506 Energy: 2.0528893117480664 Energy: 2.1824461479880797 Energy: 2.0755069273688784 Energy: 2.1824461479899373 Energy: 2.0528893117480664 Energy: 2.1824461479899373 Energy: 1.991382662756985 Energy: 2.304253045921244 Energy: 1.998110460375165 Energy: 2.304253045922173 Energy: 1.991382662756985 Energy: 2.304253045922173 Energy: 2.0323276974351194 Energy: 2.060575950267246 Energy: 2.0131163952794333 Energy: 2.0605759502681744 Energy: 2.0323276974351194 Energy: 2.0605759502681744 Energy: 2.008104483069463 Energy: 2.146929467592032 Energy: 2.034181664492437 Energy: 2.146929467592032 Energy: 2.0081044830685344 Energy: 2.1469294675929604 Energy: 2.078699478469633 Energy: 2.1827417719274127 Energy: 2.0334721293674183 Energy: 2.1827417719255555 Energy: 2.078699478469633 Energy: 2.1827417719255555 Energy: 2.1294686684451527 Energy: 2.2066138958074317 Energy: 2.127350090636822 Energy: 2.2066138958065036 Energy: 2.1294686684451527 Energy: 2.2066138958065036 Energy: 2.0481800220477036 Energy: 2.288630738307169 Energy: 2.083185325828957 Energy: 2.288630738307169 Energy: 2.0481800220477036 Energy: 2.2886307383080977 Energy: 2.045844238390531 Energy: 2.0065559672451063 Energy: 2.08329575469452 Energy: 2.006555967246035 Energy: 2.045844238390531 Energy: 2.006555967246035 Energy: 2.129561332445323 Energy: 2.20679327645395 Energy: 2.05714229581446 Energy: 2.206793276453022 Energy: 2.129561332445323 Energy: 2.206793276453022 Energy: 2.047396277770537 Energy: 2.371003566352944 Energy: 2.0338103778640155 Energy: 2.371003566352015 Energy: 2.047396277769608 Energy: 2.371003566352015 Energy: 2.007070433255707 Energy: 2.1330601053666234 Energy: 2.033203743324849 Energy: 2.1330601053666234 Energy: 2.007070433255707 Energy: 2.1330601053666234 Energy: 2.040816790464261 Energy: 2.0134934630349637 Energy: 2.012104451352753 Energy: 2.013493463034035 Energy: 2.0408167904633325 Energy: 2.013493463034035 Energy: 2.0452805954410356 Energy: 2.304253045921244 Energy: 1.998476732255207 Energy: 2.304253045921244 Energy: 2.0452805954410356 Energy: 2.304253045920315 Energy: 2.0527381788015977 Energy: 2.182470166487799 Energy: 1.9902835477441891 Energy: 2.182470166487799 Energy: 2.0527381788015977 Energy: 2.182470166487799 Energy: 2.0306428694819365 Energy: 2.0264283231389912 Energy: 2.0453366990652797 Energy: 2.0264283231408475 Energy: 2.030642869481008 Energy: 2.0264283231408475 Energy: 2.088854451209452 Energy: 2.052156479232075 Energy: 2.0446393729288284 Energy: 2.052156479233003 Energy: 2.088854451209452 Energy: 2.052156479233003 Energy: 2.239832962301003 Energy: 2.076281019640858 Energy: 2.1560848041525387 Energy: 2.076281019639001 Energy: 2.239832962301003 Energy: 2.0762810196399295 Energy: 2.1124192213309025 Energy: 2.259312701635901 Energy: 2.045697309619515 Energy: 2.259312701636829 Energy: 2.1124192213309025 Energy: 2.259312701637757 Energy: 2.0260932447329694 Energy: 2.0333044738203796 Energy: 2.0447262964607953 Energy: 2.033304473818522 Energy: 2.0260932447329694 Energy: 2.0333044738194506 Energy: 2.0528893117480664 Energy: 2.1824461479880797 Energy: 2.0755069273688784 Energy: 2.1824461479899373 Energy: 2.0528893117480664 Energy: 2.1824461479899373 Energy: 1.991382662756985 Energy: 2.304253045921244 Energy: 1.998110460375165 Energy: 2.304253045922173 Energy: 1.991382662756985 Energy: 2.304253045922173 Energy: 2.0323276974351194 Energy: 2.0605759502681744 Energy: 2.0131163952794333 Energy: 2.060575950267246 Energy: 2.032327697434191 Energy: 2.0605759502681744 minimum gb energy = 1.9902835477441891 eV minimum distance = 2.4200871669826 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 2.1485964448182386 Energy: 1.918784691418055 Energy: 2.1724120431180114 Energy: 1.918784691418055 Energy: 2.1485964448182386 Energy: 1.918784691418055 Energy: 2.0060429259896715 Energy: 2.0923949520924228 Energy: 1.9321618201169937 Energy: 2.0923949520924228 Energy: 2.0060429259896715 Energy: 2.092394952091621 Energy: 1.9240411992498905 Energy: 2.1344249067036927 Energy: 1.932139844799577 Energy: 2.1344249067044943 Energy: 1.9240411992490891 Energy: 2.1344249067044943 Energy: 1.9734892864447722 Energy: 2.10532789679731 Energy: 1.9505720924936516 Energy: 2.10532789679731 Energy: 1.9734892864447722 Energy: 2.10532789679731 Energy: 1.9188486226550057 Energy: 2.1634172695324803 Energy: 1.9233739614149314 Energy: 2.163417269531679 Energy: 1.9188486226550057 Energy: 2.163417269531679 Energy: 1.9525931373920191 Energy: 2.1246845327520463 Energy: 1.9206192973650835 Energy: 2.124684532752848 Energy: 1.9525931373920191 Energy: 2.124684532752848 Energy: 1.971923262588783 Energy: 2.182864543878864 Energy: 1.9234804180664242 Energy: 2.1828645438796657 Energy: 1.9719232625871803 Energy: 2.1828645438796657 Energy: 1.9332197305578476 Energy: 2.092049741987062 Energy: 1.9207009116500497 Energy: 2.0920497419878634 Energy: 1.9332197305578476 Energy: 2.0920497419878634 Energy: 1.9187670864974222 Energy: 2.1356951087081653 Energy: 2.0532783376476393 Energy: 2.135695108708967 Energy: 1.9187670864966209 Energy: 2.135695108708967 Energy: 1.9190283276537912 Energy: 2.1376682621008656 Energy: 1.9323405530990305 Energy: 2.137668262101667 Energy: 1.9190283276545925 Energy: 2.137668262101667 Energy: 1.9341655069033337 Energy: 2.1318778435099897 Energy: 1.9244622361889845 Energy: 2.1318778435099897 Energy: 1.9341655069041352 Energy: 2.1318778435099897 Energy: 1.9180777263534834 Energy: 2.2193317645877775 Energy: 1.866146081225077 Energy: 2.2193317645869763 Energy: 1.9180777263526818 Energy: 2.2193317645869763 Energy: 1.9184425450894396 Energy: 1.8657044948373787 Energy: 1.932480696092129 Energy: 1.8657044948357757 Energy: 1.9184425450894396 Energy: 1.8657044948365773 Energy: 1.899006920143249 Energy: 2.1317466491916277 Energy: 2.0566208523965948 Energy: 2.1317466491916277 Energy: 1.8990069201440505 Energy: 2.1317466491916277 Energy: 1.9214699177755583 Energy: 2.1044225935072722 Energy: 1.9352611805234066 Energy: 2.1044225935056695 Energy: 1.9214699177755583 Energy: 2.1044225935056695 Energy: 1.9187827197203886 Energy: 2.0915579368763426 Energy: 1.9389153753783184 Energy: 2.0915579368763426 Energy: 1.9187827197203886 Energy: 2.0915579368755415 Energy: 1.98877967322225 Energy: 2.0939379492550354 Energy: 1.9376650681805427 Energy: 2.0939379492550354 Energy: 1.9887796732230516 Energy: 2.0939379492550354 Energy: 1.9190093998547004 Energy: 2.2269120270067866 Energy: 1.9329727463066315 Energy: 2.2269120270067866 Energy: 1.9190093998538988 Energy: 2.2269120270067866 Energy: 1.9524490714286655 Energy: 2.093622214114465 Energy: 1.9376857503226452 Energy: 2.0936222141152663 Energy: 1.9524490714286655 Energy: 2.0936222141152663 Energy: 1.9188198307411761 Energy: 2.091529958989181 Energy: 1.9391639082105014 Energy: 2.091529958989181 Energy: 1.9188198307411761 Energy: 2.091529958989181 Energy: 1.9213819552978364 Energy: 2.1045258170999284 Energy: 1.9347898677434259 Energy: 2.104525817098325 Energy: 1.9213819552986378 Energy: 2.104525817098325 Energy: 1.8991775113142675 Energy: 2.1317646876422023 Energy: 2.0566722232987518 Energy: 2.1317646876422023 Energy: 1.8991775113142675 Energy: 2.1317646876430034 Energy: 1.9183034633618732 Energy: 1.865314783434351 Energy: 1.9324642010599653 Energy: 1.8653147834351524 Energy: 1.9183034633618732 Energy: 1.865314783435954 Energy: 1.9202776331223848 Energy: 2.217327775883883 Energy: 1.8669409623511393 Energy: 2.2173277758846845 Energy: 1.9202776331223848 Energy: 2.2173277758846845 Energy: 1.93391300724964 Energy: 2.131928453908117 Energy: 2.0191272464028063 Energy: 2.1319284539089187 Energy: 1.9339130072504416 Energy: 2.13192845390972 Energy: 1.9191537376815901 Energy: 2.1381765954943583 Energy: 1.9323636649997475 Energy: 2.1381765954943583 Energy: 1.9191537376823917 Energy: 2.13817659549516 Energy: 1.9188870345957623 Energy: 2.136303098702676 Energy: 2.014652632482289 Energy: 2.136303098702676 Energy: 1.9188870345949607 Energy: 2.136303098702676 Energy: 1.9336186698976647 Energy: 2.0920552573398834 Energy: 1.9205570012828848 Energy: 2.092055257339082 Energy: 1.9336186698976647 Energy: 2.092055257339082 Energy: 1.971537294768307 Energy: 2.1828645438796657 Energy: 1.9236924648614675 Energy: 2.182864543880467 Energy: 1.971537294768307 Energy: 2.182864543880467 minimum gb energy = 1.865314783434351 eV minimum distance = 2.44394660430411 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 2.022378585808649 Energy: 2.187598653404786 Energy: 2.096850313149975 Energy: 2.187598653404786 Energy: 2.0223785858093537 Energy: 2.187598653404113 Energy: 1.8403754162631074 Energy: 2.0382936967821137 Energy: 1.897888744694067 Energy: 2.0382936967821137 Energy: 1.8403754162631074 Energy: 2.0382936967828185 Energy: 1.832810565818176 Energy: 2.092974907365847 Energy: 1.8946965924300478 Energy: 2.092974907365847 Energy: 1.8328105658188807 Energy: 2.092974907365847 Energy: 1.8392627308658354 Energy: 2.064505257830155 Energy: 1.8837721572652033 Energy: 2.064505257830155 Energy: 1.83926273086654 Energy: 2.116426325487733 Energy: 1.8399442938135149 Energy: 2.133481154153385 Energy: 1.839218097666666 Energy: 2.133481154153385 Energy: 1.8399442938128103 Energy: 2.13348115415268 Energy: 1.8361050213340016 Energy: 2.042779102230147 Energy: 1.8480536445175648 Energy: 2.042779102230147 Energy: 1.8361050213340016 Energy: 2.042779102230147 Energy: 1.8386246654468752 Energy: 2.094595284470673 Energy: 1.823606473027877 Energy: 2.0945952844713775 Energy: 1.8386246654475797 Energy: 2.0945952844713775 Energy: 1.8468710859628987 Energy: 2.0878366083632236 Energy: 1.8444288323610147 Energy: 2.0960792418740337 Energy: 1.8468710859628987 Energy: 2.065188782143154 Energy: 1.839975226812504 Energy: 2.0420420045876937 Energy: 1.8332481291318177 Energy: 2.042042004586989 Energy: 1.839975226812504 Energy: 2.042042004586989 Energy: 1.8424377424790466 Energy: 2.098979366721255 Energy: 1.8250638817878142 Energy: 2.098979366721255 Energy: 1.8424377424783418 Energy: 2.098979366721255 Energy: 1.9150686068094092 Energy: 2.0374802425019056 Energy: 1.9163228111501291 Energy: 2.0374802425019056 Energy: 1.9150686068094092 Energy: 2.0374802425012017 Energy: 1.8977424468128465 Energy: 2.094345466444936 Energy: 1.8397339362523544 Energy: 2.0943454664456405 Energy: 1.8977424468121418 Energy: 2.0943454664456405 Energy: 1.8949357950650547 Energy: 2.109666078711322 Energy: 1.8690925571534216 Energy: 2.109666078711322 Energy: 1.8949357950650547 Energy: 2.1096660787106174 Energy: 1.8838071367632998 Energy: 1.9685086426784595 Energy: 1.8382821513900511 Energy: 1.8573544037588634 Energy: 1.8838071367632998 Energy: 1.9685086426826865 Energy: 1.8336283867297256 Energy: 1.8075970248108963 Energy: 1.8383903345984194 Energy: 1.8075970248123057 Energy: 1.8336283867297256 Energy: 1.8075970248116011 Energy: 1.8943763948687582 Energy: 2.1219146287354067 Energy: 1.83685727785128 Energy: 2.1219146287354067 Energy: 1.8943763948680539 Energy: 2.1219146287354067 Energy: 1.823464584474661 Energy: 2.116507812619392 Energy: 1.8403546957316925 Energy: 2.116507812619392 Energy: 1.823464584474661 Energy: 2.116507812620097 Energy: 1.8437068779246721 Energy: 2.0418363878184964 Energy: 1.842383755763428 Energy: 2.0418363878184964 Energy: 1.8437068779253767 Energy: 2.0418363878184964 Energy: 1.8702221378499662 Energy: 2.0436724736607634 Energy: 1.833999270247791 Energy: 2.0436724736607634 Energy: 1.8702221378499662 Energy: 2.0436724736607634 Energy: 1.8259363919478118 Energy: 2.178730538180612 Energy: 1.842138151149549 Energy: 2.178730538179908 Energy: 1.825936391947107 Energy: 2.178730538179908 Energy: 1.8751843120832823 Energy: 1.8759544875125245 Energy: 1.8447338746785362 Energy: 1.8759544875132292 Energy: 1.8751843120832823 Energy: 1.8759544875132292 Energy: 1.8244975916172466 Energy: 2.0442687838432163 Energy: 1.8419210142365992 Energy: 2.0442687838432163 Energy: 1.8244975916172466 Energy: 2.0442687838432163 Energy: 1.8389319558462722 Energy: 2.030121736679267 Energy: 1.8403197989025983 Energy: 2.0301217366785624 Energy: 1.8389319558462722 Energy: 2.0301217366785624 Energy: 1.8391567843440793 Energy: 2.100715980123928 Energy: 1.9200263366429204 Energy: 2.074324047333233 Energy: 1.8391567843426704 Energy: 2.096842319112113 Energy: 1.840068956738475 Energy: 2.060508514623432 Energy: 1.8441863968372594 Energy: 2.0605085146241366 Energy: 1.840068956738475 Energy: 2.060508514623432 Energy: 1.8696746967993174 Energy: 2.1212602034037564 Energy: 1.8942510418792697 Energy: 2.1212602034044616 Energy: 1.8696746967993174 Energy: 2.1212602034044616 Energy: 1.8379321938297708 Energy: 1.8080340300006557 Energy: 1.8066410051668897 Energy: 1.8080340300006557 Energy: 1.8379321938290667 Energy: 1.8080340299999507 Energy: 1.8377730988550378 Energy: 1.8081219150455792 Energy: 1.8092493158012761 Energy: 1.8081219150455792 Energy: 1.8377730988550378 Energy: 1.8081219150462837 Energy: 1.9728968897606498 Energy: 2.1427730539745427 Energy: 1.9715053802994165 Energy: 2.1427730539745427 Energy: 1.9728968897606498 Energy: 2.1427730539745427 Energy: 1.8423729381416163 Energy: 2.023618056477231 Energy: 1.8089021767113105 Energy: 2.0236180564765265 Energy: 1.8423729381423208 Energy: 2.023618056477231 Energy: 1.839404516327055 Energy: 2.098459827329117 Energy: 1.8387965972955316 Energy: 2.098459827329821 Energy: 1.839404516327055 Energy: 2.098459827329821 Energy: 1.869754394999277 Energy: 2.0317598667840637 Energy: 1.847310525585405 Energy: 2.031759866782654 Energy: 1.869754394999277 Energy: 2.0317598667833594 Energy: 1.8401177205197012 Energy: 2.1788358992629497 Energy: 1.8443397082735846 Energy: 2.178835899262245 Energy: 1.8401177205197012 Energy: 2.178835899262245 minimum gb energy = 1.8066410051668897 eV minimum distance = 2.44543674819837 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.019687820681986913 Energy: 0.020002168495750323 Energy: 12.049971887212811 Energy: 0.020002168496335716 Energy: 0.019687820681986913 Energy: 0.020002168496335716 Energy: 0.0199496270980836 Energy: 1.0330392140863374 Energy: 0.0199496270980836 Energy: 1.0330392140875082 Energy: 0.0199496270980836 Energy: 1.0330392140875082 Energy: 6.340697489211098 Energy: 0.020002168496335716 Energy: 0.019687820681986913 Energy: 0.020002168495750323 Energy: 31.048930857248756 Energy: 0.020002168496335716 Energy: 0.0199496270980836 Energy: 1.033039214086923 Energy: 0.0199496270980836 Energy: 1.033039214086923 Energy: 0.0199496270980836 Energy: 1.0330392140875082 minimum gb energy = 0.019687820681986913 eV minimum distance = 2.69846477725328 Angstroms sigma value = 1