Model name: model_name=EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.614728152751923 cohesive_energy=3.524844861148951 mass=63.546 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: 0.01363436607891352 Energy: 0.7622868931406985 Energy: 0.01363436607891352 Energy: 0.7622868931406985 Energy: 0.01363436607891352 Energy: 0.7622868931410121 Energy: 0.7622868931406985 Energy: 0.7605514427983034 Energy: 0.7622868931410121 Energy: 0.7605514428004293 Energy: 0.7622868931406985 Energy: 0.7605514427988959 Energy: 0.01363436607891352 Energy: 0.7622868931406985 Energy: 0.01363436607891352 Energy: 0.7622868931410121 Energy: 0.01363436607891352 Energy: 0.7622868931412909 Energy: 0.7622868931406985 Energy: 0.7605514427995232 Energy: 0.7622868931410121 Energy: 0.7605514428004293 Energy: 0.7622868931406985 Energy: 0.7605514428004293 Energy: 0.01363436607891352 Energy: 0.7622868931406985 Energy: 0.01363436607891352 Energy: 0.7622868931406985 Energy: 0.01363436607891352 Energy: 0.7622868931406985 Energy: 0.7622868931406985 Energy: 0.7605514427992095 Energy: 0.7622868931410121 Energy: 0.7605514428001157 Energy: 0.7622868931406985 Energy: 0.7605514427988959 minimum gb energy = 0.01363436607891352 eV minimum distance = 2.38131046282838 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9125245840340707 Energy: 0.8537884110335445 Energy: 0.9125245840340707 Energy: 0.8537884110342996 Energy: 0.9125245840333156 Energy: 0.8537884110335445 Energy: 0.9788485795098837 Energy: 0.792241936415091 Energy: 0.9788485795098837 Energy: 0.7922419364143359 Energy: 0.9788485795083738 Energy: 0.7922419364143359 Energy: 0.8629711090329294 Energy: 0.9006061153583159 Energy: 0.9093260632067092 Energy: 0.900606115362846 Energy: 0.8629711090336843 Energy: 0.9006061153575609 Energy: 0.9547239305788547 Energy: 0.8378279069707489 Energy: 0.9547239305796096 Energy: 0.8378279069707489 Energy: 0.9547239305803646 Energy: 0.8378279069699939 Energy: 0.8674023013455664 Energy: 0.9525957432804829 Energy: 0.8674023013455664 Energy: 0.9525957432804829 Energy: 0.8674023013470764 Energy: 0.9525957432804829 Energy: 0.9083770967280981 Energy: 0.8252333671827583 Energy: 0.908377096725833 Energy: 0.8252333671835131 Energy: 0.908377096726588 Energy: 0.8252333671835131 Energy: 0.8349032454615224 Energy: 0.8981959372194944 Energy: 0.8349032454600123 Energy: 0.8981959372210044 Energy: 0.8349032454607673 Energy: 0.8981959372217595 Energy: 0.835405400314855 Energy: 0.9660275729361884 Energy: 0.8354054003133448 Energy: 0.9660275729369434 Energy: 0.8354054003133448 Energy: 0.9660275729369434 Energy: 0.9260714552957108 Energy: 0.9037840607583456 Energy: 0.9260714552964656 Energy: 0.9037840607591008 Energy: 0.9260714552957108 Energy: 0.9037840607591008 Energy: 0.7837311969982083 Energy: 0.9549062385883684 Energy: 0.7837311969997185 Energy: 0.9549062385861035 Energy: 0.7837311969989633 Energy: 0.9549062385845934 Energy: 0.8974553755002933 Energy: 0.8142276299878509 Energy: 0.8974553755002933 Energy: 0.8142276299878509 Energy: 0.8974553755002933 Energy: 0.8142276299878509 Energy: 0.7639781655322859 Energy: 0.9222751906940746 Energy: 0.763978165533041 Energy: 0.9222751906955845 Energy: 0.7639781655322859 Energy: 0.9222751906963397 Energy: 0.9915996663369595 Energy: 0.7577918853606609 Energy: 0.9915996663377143 Energy: 0.7577918853606609 Energy: 0.9915996663377143 Energy: 0.7577918853606609 Energy: 0.8264730509546739 Energy: 0.8398546462529278 Energy: 0.8264730509546739 Energy: 0.8398546462529278 Energy: 0.8264730509554291 Energy: 0.8398546462536829 Energy: 1.0138943128373543 Energy: 0.7945451529356496 Energy: 1.0138943128373543 Energy: 0.7945451529356496 Energy: 1.013894312838109 Energy: 0.7945451529356496 Energy: 1.0137709289354424 Energy: 0.9113202758664216 Energy: 1.0137709289361971 Energy: 0.9113202758656667 Energy: 1.0137709289361971 Energy: 0.9113202758709518 Energy: 0.8900034629983742 Energy: 0.8874439345412903 Energy: 0.8900034629983742 Energy: 0.8874439345412903 Energy: 0.8900034629983742 Energy: 0.8874439345405353 Energy: 0.8901754467633167 Energy: 0.8433741602988835 Energy: 0.8901754467610516 Energy: 0.8433741603003936 Energy: 0.8901754467640716 Energy: 0.8433741602988835 Energy: 0.8451483094197657 Energy: 0.837433382648452 Energy: 0.8451483094205208 Energy: 0.837433382649207 Energy: 0.8451483094190109 Energy: 0.837433382649207 Energy: 0.9102416948262904 Energy: 0.825100072212254 Energy: 0.9102416948262904 Energy: 0.825100072212254 Energy: 0.9102416948285554 Energy: 0.8251000722114992 Energy: 0.8020787727826104 Energy: 0.9634212027138407 Energy: 0.8020787727818555 Energy: 0.9634212027130856 Energy: 0.8020787727826104 Energy: 0.9634212027123307 Energy: 0.9121712334281485 Energy: 0.8996605881605234 Energy: 0.9121712334326786 Energy: 0.8996605881605234 Energy: 0.9121712334311687 Energy: 0.8996605881605234 Energy: 0.7797752307167047 Energy: 0.9662548716221572 Energy: 0.7797752307182149 Energy: 0.9662548716236672 Energy: 0.7797752307174598 Energy: 0.9662548716229122 minimum gb energy = 0.7577918853606609 eV minimum distance = 2.29720635668961 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.0449152822851175 Energy: 0.9605030924375887 Energy: 0.9680580921068149 Energy: 0.9605030924332942 Energy: 1.0449152822945655 Energy: 0.9605030924281408 Energy: 1.0026841706901781 Energy: 0.8465453299544973 Energy: 1.0026841706876015 Energy: 0.8465453299502027 Energy: 1.0026841706901781 Energy: 0.8465453299527794 Energy: 0.8524817248144134 Energy: 0.7382342285995497 Energy: 0.8524817248144134 Energy: 0.738234228601697 Energy: 0.8524817248135548 Energy: 0.738234228605562 Energy: 0.8436530659935908 Energy: 0.7078692421984899 Energy: 0.8436530662760097 Energy: 0.7078692423478589 Energy: 0.8436530668555264 Energy: 0.7078692423409876 Energy: 0.9313501992952626 Energy: 0.7432775858647384 Energy: 0.9313501993012749 Energy: 0.7432775858625912 Energy: 0.9313501993004162 Energy: 0.7432775858617322 Energy: 0.8106520446301454 Energy: 0.8524083650438442 Energy: 0.8106520446292864 Energy: 0.8524179479550129 Energy: 0.8106520446340104 Energy: 0.8524083650438442 Energy: 0.7918436244226081 Energy: 0.7436997698264584 Energy: 0.7918436207790776 Energy: 0.9334254953617699 Energy: 0.7918436182507774 Energy: 0.743699687537487 Energy: 0.766948569354682 Energy: 0.9220082249887667 Energy: 0.7669485693637003 Energy: 0.9220082249900551 Energy: 0.7669485693602647 Energy: 0.9220082249827545 Energy: 0.8039017901271445 Energy: 0.854409939785064 Energy: 0.8039017901254266 Energy: 0.854409939785064 Energy: 0.8039017901301506 Energy: 0.8544099397859227 Energy: 0.835639688136543 Energy: 0.8146715978816758 Energy: 0.8355438620784837 Energy: 0.8146715963595266 Energy: 0.8356396881438044 Energy: 0.8146715983023369 Energy: 0.7824938155868015 Energy: 0.8368841546794772 Energy: 0.7824938155923453 Energy: 0.8368841546781889 Energy: 0.7824938155936336 Energy: 0.8368841546769005 Energy: 0.8520300921133201 Energy: 0.875701939894738 Energy: 0.852029247952404 Energy: 0.8757019398973147 Energy: 0.8520300921103139 Energy: 0.8757019398981736 Energy: 0.739837042052508 Energy: 0.8297567531781546 Energy: 0.8083783881698411 Energy: 0.8297567531742897 Energy: 0.739571909120782 Energy: 0.8297567531738603 Energy: 1.0022844395683386 Energy: 0.8089605050150734 Energy: 1.0022917912961706 Energy: 0.7308780777361061 Energy: 1.0022844395691974 Energy: 0.808960507726669 Energy: 0.9255382529493955 Energy: 0.847700094102498 Energy: 0.9255382529476778 Energy: 0.8477000941046453 Energy: 0.9255382529511131 Energy: 0.847700094103357 Energy: 0.8526956947572375 Energy: 0.7423404581665095 Energy: 0.8526956947593847 Energy: 0.7423404581690862 Energy: 0.8526956947611025 Energy: 0.7423404581643623 Energy: 0.6778289610799013 Energy: 0.7110145682123288 Energy: 0.6778289609077719 Energy: 0.7110145682209177 Energy: 0.6778289614730779 Energy: 0.7110145682118993 Energy: 0.9309134768256127 Energy: 0.8517198428574164 Energy: 0.9309134768281893 Energy: 0.8518203013541017 Energy: 0.9309134768299069 Energy: 0.8517198428539807 Energy: 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0.9124200853730856 Energy: 0.8545110055190488 Energy: 0.9124200854035762 Energy: 0.8543476225046156 Energy: 0.8286951653992376 Energy: 0.750585540078577 Energy: 0.8286951653983786 Energy: 0.7720907322055298 Energy: 0.8286951653962313 Energy: 0.7506135705408169 Energy: 0.6969123153744868 Energy: 0.9576377007359393 Energy: 0.6969123288414995 Energy: 0.9965173516436951 Energy: 0.6969123287655268 Energy: 0.9576377007415222 Energy: 0.8487025072098145 Energy: 0.9250694172942913 Energy: 0.8487025072098145 Energy: 0.925069417291285 Energy: 0.8487025072085262 Energy: 0.9250694172895673 Energy: 0.740504433903223 Energy: 0.8526721329034627 Energy: 0.7405044339079468 Energy: 0.8526721329068983 Energy: 0.7405044339040818 Energy: 0.8526721329129104 Energy: 0.7097592410514444 Energy: 0.7903523165585868 Energy: 0.7097592410621805 Energy: 0.7903523166517373 Energy: 0.7097592410703399 Energy: 0.7903523166190994 Energy: 0.8341362941077024 Energy: 0.8067529381266332 Energy: 0.8339778442414832 Energy: 0.8067529593983446 Energy: 0.8341362941029785 Energy: 0.8067529762487222 Energy: 0.839624096792997 Energy: 0.8111657688225318 Energy: 0.8387410055098725 Energy: 0.8111657688182374 Energy: 0.8396240967895614 Energy: 0.8111657688165196 Energy: 1.0023178126186072 Energy: 0.8126082641700636 Energy: 1.002320894560935 Energy: 0.8100767907570859 Energy: 1.0023178126151717 Energy: 0.8126082661085795 Energy: 0.7873725417065921 Energy: 0.791066805066134 Energy: 0.787372539198866 Energy: 0.790880991361006 Energy: 0.78737253609792 Energy: 0.7910668050657045 Energy: 0.8522597691068492 Energy: 0.8014723716541615 Energy: 0.8522597691029843 Energy: 0.8014723716507259 Energy: 0.8522597691051315 Energy: 0.8014723716502964 minimum gb energy = 0.6778289609077719 eV minimum distance = 2.39976039781252 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.8923776975033733 Energy: 0.9051537446974168 Energy: 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0.8674647540638671 Energy: 0.8543375485806488 Energy: 0.8674647540638671 Energy: 0.8216225257986588 Energy: 0.8680472289935891 Energy: 0.8216225257976636 Energy: 0.8680472289925941 Energy: 0.8216225257976636 Energy: 0.8680472289925941 Energy: 1.0157066949882432 Energy: 0.7759221995522504 Energy: 1.0157066949892382 Energy: 0.7759221995522504 Energy: 1.0157066949882432 Energy: 0.7759221995522504 Energy: 0.7971788710582998 Energy: 1.0145620604439853 Energy: 0.7971788710582998 Energy: 1.0145620604439853 Energy: 0.7971788710573048 Energy: 1.0145620604439853 Energy: 0.9333719038897615 Energy: 0.7780150927167847 Energy: 0.9333719038887666 Energy: 0.7780150927167847 Energy: 0.9333719038887666 Energy: 0.7780150927167847 Energy: 0.8941015150038905 Energy: 0.906656167475618 Energy: 0.8941015150038905 Energy: 0.906656167475618 Energy: 0.8941015150038905 Energy: 0.906656167475618 Energy: 0.9513957188300811 Energy: 0.8456368203760274 Energy: 0.9513957188300811 Energy: 0.8456368203760274 Energy: 0.951395718828091 Energy: 0.8456368203760274 Energy: 0.858187923952279 Energy: 0.8330552035874819 Energy: 0.858187923952279 Energy: 0.8330552035884768 Energy: 0.858187923952279 Energy: 0.8330552035884768 Energy: 0.889952631915413 Energy: 0.8968513231976485 Energy: 0.889952631916408 Energy: 0.8968513231976485 Energy: 0.889952631915413 Energy: 0.8968513231976485 Energy: 0.9010285346896937 Energy: 0.8672446781620672 Energy: 0.9010285346886987 Energy: 0.8672446781610721 Energy: 0.9010285346886987 Energy: 0.8672446781620672 Energy: 0.9023308288049545 Energy: 0.9393838481094421 Energy: 0.9023308288049545 Energy: 0.9393838481084471 Energy: 0.9023308288059495 Energy: 0.9393838481094421 Energy: 0.8848624728713198 Energy: 0.8714707081889959 Energy: 0.8848624728703248 Energy: 0.8714707081889959 Energy: 0.8848624728703248 Energy: 0.8714707081889959 minimum gb energy = 0.7759221995522504 eV minimum distance = 2.29340219988187 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7413188992583309 Energy: 0.7539337730592903 Energy: 0.7413188992577407 Energy: 0.7539337730587 Energy: 0.7413188992577407 Energy: 0.7539337730587 Energy: 0.8208069603141359 Energy: 0.8990781530478438 Energy: 0.8208069603159067 Energy: 0.8990781530478438 Energy: 0.8208069603159067 Energy: 0.8990781530472535 Energy: 0.7136241723408252 Energy: 0.8968460243239951 Energy: 0.713624172340235 Energy: 0.8968460243239951 Energy: 0.713624172340235 Energy: 0.8968460243245854 Energy: 0.7758307024707574 Energy: 0.7136408829624782 Energy: 0.7758307024713476 Energy: 0.7136408829624782 Energy: 0.7758307024713476 Energy: 0.7136408829624782 Energy: 0.7328973567214081 Energy: 0.7395467538649888 Energy: 0.7328973567208179 Energy: 0.7395467538649888 Energy: 0.7328973567214081 Energy: 0.7395467538649888 Energy: 0.7327742022724338 Energy: 0.7389502164998917 Energy: 0.7327742022718435 Energy: 0.7389502164998917 Energy: 0.7327742022724338 Energy: 0.7389502164998917 Energy: 0.7759099270777093 Energy: 0.713734262387658 Energy: 0.775909927077119 Energy: 0.713734262387658 Energy: 0.775909927077119 Energy: 0.713734262387658 Energy: 0.7135776045165667 Energy: 0.8970701667617124 Energy: 0.7135776045165667 Energy: 0.8970701667617124 Energy: 0.7135776045165667 Energy: 0.8970701667623027 Energy: 0.8211220810819485 Energy: 0.8987711669681285 Energy: 0.8211220810813583 Energy: 0.8987711669675384 Energy: 0.821122081080768 Energy: 0.8987711669675384 Energy: 0.7413188992583309 Energy: 0.7539337730587 Energy: 0.7413188992565604 Energy: 0.7539337730587 Energy: 0.7413188992571507 Energy: 0.7539337730587 Energy: 0.8208069603153165 Energy: 0.8990781530478438 Energy: 0.8208069603159067 Energy: 0.8990781530478438 Energy: 0.8208069603153165 Energy: 0.8990781530478438 Energy: 0.713624172340235 Energy: 0.8968460243245854 Energy: 0.7136241723408252 Energy: 0.8968460243251755 Energy: 0.7136241723408252 Energy: 0.8968460243245854 Energy: 0.7758307024719377 Energy: 0.7136408829624782 Energy: 0.7758307024719377 Energy: 0.7136408829624782 Energy: 0.7758307024713476 Energy: 0.7136408829624782 Energy: 0.7328973567208179 Energy: 0.7395467538649888 Energy: 0.7328973567214081 Energy: 0.7395467538649888 Energy: 0.7328973567208179 Energy: 0.7395467538649888 Energy: 0.7327742022724338 Energy: 0.7389502164993015 Energy: 0.7327742022724338 Energy: 0.7389502164981212 Energy: 0.732774202273024 Energy: 0.7389502164993015 Energy: 0.7759099270782995 Energy: 0.713734262387658 Energy: 0.7759099270777093 Energy: 0.713734262387658 Energy: 0.7759099270777093 Energy: 0.713734262387658 Energy: 0.7135776045159765 Energy: 0.8970701667611223 Energy: 0.7135776045165667 Energy: 0.8970701667611223 Energy: 0.7135776045165667 Energy: 0.8970701667623027 Energy: 0.8211220810819485 Energy: 0.8987711669681285 Energy: 0.821122081080768 Energy: 0.8987711669681285 Energy: 0.821122081080768 Energy: 0.8987711669687188 Energy: 0.7413188992577407 Energy: 0.7539337730587 Energy: 0.7413188992577407 Energy: 0.7539337730587 Energy: 0.7413188992571507 Energy: 0.7539337730587 Energy: 0.8208069603159067 Energy: 0.8990781530478438 Energy: 0.8208069603182675 Energy: 0.8990781530478438 Energy: 0.8208069603153165 Energy: 0.8990781530472535 Energy: 0.7136241723396448 Energy: 0.8968460243239951 Energy: 0.7136241723408252 Energy: 0.8968460243245854 Energy: 0.7136241723408252 Energy: 0.8968460243245854 Energy: 0.7758307024713476 Energy: 0.7136408829624782 Energy: 0.7758307024713476 Energy: 0.7136408829624782 Energy: 0.7758307024719377 Energy: 0.7136408829624782 Energy: 0.7328973567219983 Energy: 0.739546753865579 Energy: 0.7328973567214081 Energy: 0.7395467538649888 Energy: 0.7328973567214081 Energy: 0.7395467538649888 Energy: 0.732774202273024 Energy: 0.738950216500482 Energy: 0.7327742022724338 Energy: 0.7389502164998917 Energy: 0.7327742022724338 Energy: 0.738950216500482 Energy: 0.775909927077119 Energy: 0.713734262387658 Energy: 0.7759099270782995 Energy: 0.7137342623870678 Energy: 0.7759099270777093 Energy: 0.713734262387658 Energy: 0.7135776045165667 Energy: 0.8970701667623027 Energy: 0.7135776045165667 Energy: 0.8970701667617124 Energy: 0.7135776045165667 Energy: 0.8970701667623027 Energy: 0.821122081080768 Energy: 0.8987711669681285 Energy: 0.8211220810813583 Energy: 0.8987711669687188 Energy: 0.821122081080768 Energy: 0.8987711669681285 Energy: 0.7413188992589211 Energy: 0.7539337730587 Energy: 0.7413188992571507 Energy: 0.7539337730587 Energy: 0.7413188992577407 Energy: 0.7539337730587 Energy: 0.8208069603141359 Energy: 0.8990781530472535 Energy: 0.8208069603159067 Energy: 0.8990781530472535 Energy: 0.8208069603182675 Energy: 0.8990781530472535 Energy: 0.7136241723408252 Energy: 0.8968460243245854 Energy: 0.713624172340235 Energy: 0.8968460243245854 Energy: 0.7136241723408252 Energy: 0.8968460243251755 minimum gb energy = 0.7135776045159765 eV minimum distance = 2.30630884303041 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7246737392730092 Energy: 0.7055862923454327 Energy: 0.7246737392730092 Energy: 0.7055862923454327 Energy: 0.7246737392730092 Energy: 0.7055862923454327 Energy: 0.8322040527418689 Energy: 0.7295502899881762 Energy: 0.8322040527418689 Energy: 0.7295502899881762 Energy: 0.8322040527418689 Energy: 0.7295502899881762 Energy: 0.6818648440885771 Energy: 0.8042056160076632 Energy: 0.6818648440885771 Energy: 0.8042056160076632 Energy: 0.6818648440885771 Energy: 0.8042056160076632 Energy: 0.8174833665493902 Energy: 0.6859565994804837 Energy: 0.8174833665493902 Energy: 0.6859565994804837 Energy: 0.8174833665493902 Energy: 0.6859565994804837 Energy: 0.8150643951098244 Energy: 0.6858729017426581 Energy: 0.8150643951083786 Energy: 0.6858729017426581 Energy: 0.8150643951083786 Energy: 0.6858729017426581 Energy: 0.8320197227681606 Energy: 0.8619478911669792 Energy: 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0.7870295781145726 Energy: 0.8591099219497653 Energy: 0.7870295781160184 minimum gb energy = 0.6818648440885771 eV minimum distance = 2.29241430378072 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7249915688719167 Energy: 0.6943289489779979 Energy: 0.7249915688727292 Energy: 0.6943289489775917 Energy: 0.7249915688719167 Energy: 0.6943289489775917 Energy: 0.6863200322270231 Energy: 0.6879887701962419 Energy: 0.6863200322193419 Energy: 0.6486394962843556 Energy: 0.6863200322375848 Energy: 0.6879887701913674 Energy: 0.6335696307924258 Energy: 0.7001945996399346 Energy: 0.633569630792832 Energy: 0.7001945996399346 Energy: 0.633569630790801 Energy: 0.7001945996403408 Energy: 0.6520814241692977 Energy: 0.6253469488467116 Energy: 0.6520814241676728 Energy: 0.6253469488467116 Energy: 0.6520814241680791 Energy: 0.6253469488467116 Energy: 0.6873859435005486 Energy: 0.6733725825750753 Energy: 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Energy: 0.39053267736453284 Energy: 0.3959028865559411 Energy: 0.39053267736453284 Energy: 0.3959028865577905 Energy: 0.3207871506365835 Energy: 0.3541763738106499 Energy: 0.3207871506375082 Energy: 0.3541763738106499 Energy: 0.3207871506365835 Energy: 0.3541763738106499 Energy: 0.32079968676838805 Energy: 0.3535810737486713 Energy: 0.32079968676838805 Energy: 0.3535810737486713 Energy: 0.32079968676838805 Energy: 0.3535810737486713 Energy: 0.39050795250276876 Energy: 0.3958514202543079 Energy: 0.39050795250276876 Energy: 0.39585142025338327 Energy: 0.3905079525036934 Energy: 0.39585142025338327 minimum gb energy = 0.32057213549527813 eV minimum distance = 2.442336983513 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5499071513360485 Energy: 0.5421450453560495 Energy: 0.5499071513333391 Energy: 0.5421450453560495 Energy: 0.5499071513353713 Energy: 0.5421450453567268 Energy: 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0.5787667806907343 Energy: 0.5342787693744485 Energy: 0.5787667806907343 Energy: 0.7307001917502195 Energy: 0.5939838172163675 Energy: 0.7307001917496857 Energy: 0.5939838172227739 Energy: 0.7307001917502195 Energy: 0.5939838172179691 Energy: 0.53481819698861 Energy: 0.8039495249713597 Energy: 0.53481819698861 Energy: 0.803949524970292 Energy: 0.5348181969891439 Energy: 0.8039495249708257 Energy: 0.5165844517179911 Energy: 0.5466827917858601 Energy: 0.5165844517185249 Energy: 0.5466827917858601 Energy: 0.5165844517174571 Energy: 0.5466827917858601 Energy: 0.5436590413226926 Energy: 0.5749312149848521 Energy: 0.5436590413226926 Energy: 0.5749312149848521 Energy: 0.5436590413221587 Energy: 0.5749312149853859 Energy: 0.5775107323632372 Energy: 0.5824550083914428 Energy: 0.5775107323627033 Energy: 0.5824550083914428 Energy: 0.577510732363771 Energy: 0.5824550083941121 Energy: 0.5713348058368499 Energy: 0.5910157612072509 Energy: 0.5713348058368499 Energy: 0.5910157612072509 Energy: 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0.4984570309598253 Energy: 0.5855174327974513 Energy: 0.4984570309592914 Energy: 0.5855174327979852 Energy: 0.4984570309598253 Energy: 0.5855174327953159 Energy: 0.5005346710051722 Energy: 0.7341901905778071 Energy: 0.5005346710057061 Energy: 0.7341901905778071 Energy: 0.5005346710051722 Energy: 0.7341901905778071 Energy: 0.5335856171620846 Energy: 0.5795373383697952 Energy: 0.5335856171631524 Energy: 0.5795373383788709 Energy: 0.5335856171615508 Energy: 0.5795373383794047 Energy: 0.5269563366265001 Energy: 0.539706215417262 Energy: 0.5269563366281017 Energy: 0.539706215417262 Energy: 0.5269563366265001 Energy: 0.5397062154177958 Energy: 0.5429548144086951 Energy: 0.5814025672183303 Energy: 0.5429548144097628 Energy: 0.5814025672055174 Energy: 0.5429548144076273 Energy: 0.5814025672081866 Energy: 0.5674057430952951 Energy: 0.7157017037022443 Energy: 0.5674057430942273 Energy: 0.715701703703312 Energy: 0.5674057430942273 Energy: 0.715701703703312 Energy: 0.6226377574992743 Energy: 0.5507468109440334 Energy: 0.6226377574982065 Energy: 0.5507468109440334 Energy: 0.6226377574992743 Energy: 0.5507468109440334 Energy: 0.5230959620161169 Energy: 0.6945557211950991 Energy: 0.5230959620166508 Energy: 0.6945557211945652 Energy: 0.5230959620161169 Energy: 0.6945557211950991 Energy: 0.5464802303776095 Energy: 0.5669164166326041 Energy: 0.5464802303770757 Energy: 0.5669164166326041 Energy: 0.5464802303754741 Energy: 0.5669164166326041 Energy: 0.4997423599036666 Energy: 0.5454487397385692 Energy: 0.4997423599036666 Energy: 0.5454487397396126 Energy: 0.4997423599036666 Energy: 0.5454487397375014 minimum gb energy = 0.4984570309592914 eV minimum distance = 2.38526434820573 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6757996254882683 Energy: 0.6112549677290808 Energy: 0.6361339019563351 Energy: 0.6112549677290808 Energy: 0.6757996254886429 Energy: 0.6112549677257089 Energy: 0.6728391233357159 Energy: 0.5852252291435293 Energy: 0.6728391233405867 Energy: 0.5852252291435293 Energy: 0.67283912333684 Energy: 0.5852252291457772 Energy: 0.6158948866303372 Energy: 0.6479026094994804 Energy: 0.6158948866250918 Energy: 0.6479026094991058 Energy: 0.6158948866299626 Energy: 0.6479026094991058 Energy: 0.5732565697015372 Energy: 0.6023840728664523 Energy: 0.573256569703036 Energy: 0.6023840728660778 Energy: 0.5732565697022866 Energy: 0.6023840728690751 Energy: 0.6391060557194357 Energy: 0.6882862136351787 Energy: 0.6391094361798544 Energy: 0.688286213635928 Energy: 0.639106055719061 Energy: 0.6882862136404241 Energy: 0.7797326362576051 Energy: 0.5747254393026817 Energy: 0.7797326362598531 Energy: 0.5747254393026817 Energy: 0.7797326362587291 Energy: 0.574725439301183 Energy: 0.6053422859357018 Energy: 0.6574839256651595 Energy: 0.6053422859312058 Energy: 0.6574839256659087 Energy: 0.6053422859357018 Energy: 0.6574839256651595 Energy: 0.5953017544726619 Energy: 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0.6337227206072313 Energy: 0.8760720203858879 Energy: 0.6337228968902593 Energy: 0.8760720203855132 Energy: 0.6337227206068567 Energy: 0.8760720203858879 Energy: 0.597032328272871 Energy: 0.7021047544682549 Energy: 0.5970323282777419 Energy: 0.7021047544491466 Energy: 0.597032328272871 Energy: 0.7021047544637589 Energy: 0.6012376614102463 Energy: 0.6052948901318214 Energy: 0.6012376614166157 Energy: 0.6052948901318214 Energy: 0.6012376614106208 Energy: 0.6052948901250772 Energy: 0.669417435738451 Energy: 0.5672608571342839 Energy: 0.6694174357414485 Energy: 0.5672608571339092 Energy: 0.669417435738451 Energy: 0.5672608571283232 Energy: 0.6116729000729948 Energy: 0.5925008561389301 Energy: 0.6116729000718709 Energy: 0.5925008561370566 Energy: 0.6116729000733696 Energy: 0.5925008561318112 Energy: 0.6083405459766394 Energy: 0.590046710510286 Energy: 0.6083405459743914 Energy: 0.5900467105095367 Energy: 0.6083405459747661 Energy: 0.5900467105177796 Energy: 0.6085048901433915 Energy: 0.6823981657079947 Energy: 0.60874318544184 Energy: 0.6823981657079947 Energy: 0.6085048901426422 Energy: 0.6823981657106175 Energy: 0.6018915969785084 Energy: 0.5684834955857397 Energy: 0.6018915969755109 Energy: 0.568483495585365 Energy: 0.601891596977759 Energy: 0.5684834955801197 Energy: 0.5801669682103411 Energy: 0.6292671434979288 Energy: 0.580166968213713 Energy: 0.6292671434979288 Energy: 0.5801669682103411 Energy: 0.629267143500177 minimum gb energy = 0.5602627477211727 eV minimum distance = 2.37908925254705 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.6785606581520234 Energy: 0.6282704389293777 Energy: 0.6785606581512835 Energy: 0.6282704389293777 Energy: 0.6785606581512835 Energy: 0.6282704389296339 Energy: 0.6356728995315801 Energy: 0.5491113055966903 Energy: 0.6356728995308404 Energy: 0.5491113055972026 Energy: 0.6356728995310964 Energy: 0.5491113055964343 Energy: 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======================================== Energy: 0.8200110023561263 Energy: 0.7603248463374628 Energy: 0.7831221358550025 Energy: 0.7603248463395074 Energy: 0.8200110023530285 Energy: 0.760324846339817 Energy: 0.7442302107113773 Energy: 0.679207947026765 Energy: 0.7442302107147849 Energy: 0.6792079470288096 Energy: 0.7442302107141033 Energy: 0.6792079470315358 Energy: 0.7157175949182494 Energy: 0.7996206033769904 Energy: 0.7150620285625339 Energy: 0.7996206033878948 Energy: 0.7157175949342343 Energy: 0.7996206033854784 Energy: 0.7303537865588711 Energy: 0.6482243382113102 Energy: 0.7303537865524274 Energy: 0.6482243382113102 Energy: 0.7303537865585612 Energy: 0.7391148521317918 Energy: 0.7579093118975685 Energy: 0.7552608045944106 Energy: 0.7579093119006663 Energy: 0.7552608047340608 Energy: 0.7579093119006663 Energy: 0.7552608046655988 Energy: 0.7210378210172292 Energy: 0.7137503916096223 Energy: 0.7210378210192737 Energy: 0.7137503916058429 Energy: 0.7210378210151847 Energy: 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0.7180255762496561 Energy: 0.7406711959212982 Energy: 0.7180255762490816 Energy: 0.7406711959184258 Energy: 0.7180255762496561 Energy: 0.7160727071319052 Energy: 0.6510724150378135 Energy: 0.7160727071296074 Energy: 0.651072415040686 Energy: 0.7160727071290329 Energy: 0.6510724150435584 Energy: 0.7557714745883458 Energy: 0.6453425110660711 Energy: 0.755771474265622 Energy: 0.6453425110666456 Energy: 0.7557714738625237 Energy: 0.6453425110660711 Energy: 0.6880672955183303 Energy: 0.738447744310864 Energy: 0.6880672955189048 Energy: 0.7384477443102895 Energy: 0.6880672955194793 Energy: 0.738447744310864 Energy: 0.7338887143043241 Energy: 0.7521938785661008 Energy: 0.7338887143043241 Energy: 0.7521938785666752 Energy: 0.7338887143048987 Energy: 0.7521938785661008 Energy: 0.6990626064718493 Energy: 0.7067227853615884 Energy: 0.6990626064712747 Energy: 0.7067227853610138 Energy: 0.6990626064712747 Energy: 0.7067227853615884 minimum gb energy = 0.6233088316202503 eV minimum distance = 2.36903810944901 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.7128267062144131 Energy: 0.6156120167388878 Energy: 0.7128267062159007 Energy: 0.6156120167396315 Energy: 0.7128267062136693 Energy: 0.6156120167388878 Energy: 0.7146479539668796 Energy: 0.6183181219183154 Energy: 0.7146479539661358 Energy: 0.6183181219175716 Energy: 0.7146479539668796 Energy: 0.6183181219168278 Energy: 0.7230383819644528 Energy: 0.7940038913097878 Energy: 0.7230383819622551 Energy: 0.794003891309044 Energy: 0.7230383819644528 Energy: 0.7940038913097878 Energy: 0.8740560322158603 Energy: 0.695519443022073 Energy: 0.8740560322151163 Energy: 0.6955194430235606 Energy: 0.8740560322143726 Energy: 0.6955194430183539 Energy: 0.648113911554995 Energy: 0.7449296502565191 Energy: 0.648113911554995 Energy: 0.7449296502565191 Energy: 0.648113911554995 Energy: 0.7449296502580067 Energy: 0.6833470501829363 Energy: 0.7128868019240356 Energy: 0.6833470501807049 Energy: 0.7898490071758056 Energy: 0.683347050179961 Energy: 0.7128868019232918 Energy: 0.714623651830048 Energy: 0.7964773185969962 Energy: 0.7146236518307918 Energy: 0.7964773185969962 Energy: 0.714623651830048 Energy: 0.79647731859774 Energy: 0.7265043411151682 Energy: 0.634055838226598 Energy: 0.7265043411144244 Energy: 0.634055838226598 Energy: 0.7265043411151682 Energy: 0.6340558382258541 Energy: 0.6626506455568437 Energy: 0.6322262216400716 Energy: 0.6626506455568437 Energy: 0.6322262216400716 Energy: 0.6626506455568437 Energy: 0.6322262216408155 Energy: 0.5807470705891785 Energy: 0.7121074293482115 Energy: 0.5807470705906661 Energy: 0.7121074293482115 Energy: 0.5807470705891785 Energy: 0.7121074293482115 Energy: 0.7141859461000928 Energy: 0.697751803601908 Energy: 0.7141859461008365 Energy: 0.6977518036063709 Energy: 0.7141859460986051 Energy: 0.6977518035981889 Energy: 0.6590488686666071 Energy: 0.6282477430048843 Energy: 0.6590488686666071 Energy: 0.627738956075742 Energy: 0.6590488686666071 Energy: 0.6275202669713065 Energy: 0.6654197813225228 Energy: 0.6340608455572845 Energy: 0.6654197813232665 Energy: 0.6340608455572845 Energy: 0.6654197813210351 Energy: 0.6340608455572845 Energy: 0.7220879262501452 Energy: 0.6548835485265492 Energy: 0.7220879262456823 Energy: 0.654883548527293 Energy: 0.7220879262427408 Energy: 0.6548835485265492 Energy: 0.6485861260245723 Energy: 0.6304880323990979 Energy: 0.6485861256476242 Energy: 0.6304880323990979 Energy: 0.6485861258959589 Energy: 0.6304880323990979 Energy: 0.6550663751694495 Energy: 0.6134082540089049 Energy: 0.6550663751664743 Energy: 0.6134082540089049 Energy: 0.6550663751679618 Energy: 0.6134082540096486 Energy: 0.5772325841043242 Energy: 0.6940865062516782 Energy: 0.5772325841043242 Energy: 0.6940865062516782 Energy: 0.5772325841043242 Energy: 0.6940865062516782 Energy: 0.7125555115143581 Energy: 0.7182894631224104 Energy: 0.7125555115151019 Energy: 0.7182894631216665 Energy: 0.7125555115143581 Energy: 0.7182894631224104 Energy: 0.5775734334538356 Energy: 0.6939198399074248 Energy: 0.5775734334545795 Energy: 0.6939198399074248 Energy: 0.5775734334538356 Energy: 0.6939198399081685 Energy: 0.6547952831074272 Energy: 0.613500158235371 Energy: 0.6547952831089148 Energy: 0.6135001582346271 Energy: 0.6547952831059396 Energy: 0.6135001582346271 Energy: 0.6476827587681391 Energy: 0.6299655859374069 Energy: 0.6476827587681391 Energy: 0.6299655859366631 Energy: 0.6476827587681391 Energy: 0.6299655859366631 Energy: 0.7232835088591368 Energy: 0.6036145126182912 Energy: 0.7232835088554177 Energy: 0.603614512623498 Energy: 0.7232835088516987 Energy: 0.6036145126227542 Energy: 0.6653762822912048 Energy: 0.634097968296632 Energy: 0.6653762822897172 Energy: 0.634097968296632 Energy: 0.665376282290461 Energy: 0.634097968296632 Energy: 0.6446286916475544 Energy: 0.6272557405861253 Energy: 0.6446286916430917 Energy: 0.6267151886897089 Energy: 0.6446286916475544 Energy: 0.6271991730037568 minimum gb energy = 0.5772325841043242 eV minimum distance = 2.40660231600137 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.6576206681195873 Energy: 0.6511374546012958 Energy: 0.6576206681195873 Energy: 0.6511374546012958 Energy: 0.6576206681185354 Energy: 0.6511374546012958 Energy: 0.6190267694018982 Energy: 0.6411540960677313 Energy: 0.6190267694018982 Energy: 0.6411540960677313 Energy: 0.6190267694008462 Energy: 0.6411540960666794 Energy: 0.6886127812687582 Energy: 0.7541375347010066 Energy: 0.6886127812677062 Energy: 0.7541375347010066 Energy: 0.6886127812677062 Energy: 0.7541375347010066 Energy: 0.5611572089991373 Energy: 0.7468081884628098 Energy: 0.5611572089980854 Energy: 0.7468081884628098 Energy: 0.5611572089991373 Energy: 0.7468081884628098 Energy: 0.653742606058307 Energy: 0.7150622522237914 Energy: 0.6537426059457992 Energy: 0.7150622522237914 Energy: 0.6537426058217204 Energy: 0.7150622522237914 Energy: 0.6797850068241974 Energy: 0.7228488968949071 Energy: 0.6797850068241974 Energy: 0.7228488968949071 Energy: 0.6797850068241974 Energy: 0.7228488968949071 Energy: 0.6674637083073249 Energy: 0.6359088940721978 Energy: 0.6674637083073249 Energy: 0.6359088940721978 Energy: 0.6674637083073249 Energy: 0.6359088940721978 Energy: 0.5608727863123336 Energy: 0.6834706488302749 Energy: 0.5608727863112817 Energy: 0.6834706488302749 Energy: 0.5608727863112817 Energy: 0.6834706488302749 Energy: 0.7131897134020624 Energy: 0.6422528882849096 Energy: 0.7131897134020624 Energy: 0.6422528882849096 Energy: 0.7131897134020624 Energy: 0.6422528882849096 Energy: 0.6781520613909681 Energy: 0.6333648172205706 Energy: 0.67815206139202 Energy: 0.6333648172205706 Energy: 0.6781520613909681 Energy: 0.6333648172205706 Energy: 0.6824810536845475 Energy: 0.6089051162713116 Energy: 0.6824810536845475 Energy: 0.6089051162713116 Energy: 0.6824810536845475 Energy: 0.6089051162713116 Energy: 0.6376455610091641 Energy: 0.6322995670427534 Energy: 0.6376455610091641 Energy: 0.6322995670427534 Energy: 0.6376455610091641 Energy: 0.6322995670427534 Energy: 0.5983376346768278 Energy: 0.7220438854849178 Energy: 0.5983376346768278 Energy: 0.7220438854849178 Energy: 0.5983376346768278 Energy: 0.7220438854849178 Energy: 0.6782233112170968 Energy: 0.7240164703931745 Energy: 0.6782233112170968 Energy: 0.7240164703931745 Energy: 0.6782233112170968 Energy: 0.7240164703931745 Energy: 0.6742074625556822 Energy: 0.7991372158672124 Energy: 0.6742074625556822 Energy: 0.7991372158672124 Energy: 0.6742074625546303 Energy: 0.7991372158672124 Energy: 0.6801051421784724 Energy: 0.6784648192059263 Energy: 0.6801051421795242 Energy: 0.6784648192059263 Energy: 0.6801051421795242 Energy: 0.6784648192059263 Energy: 0.6768437279746117 Energy: 0.6284999762056576 Energy: 0.6768437279756637 Energy: 0.6284999762056576 Energy: 0.6768437279756637 Energy: 0.6284999762077614 minimum gb energy = 0.5608727863112817 eV minimum distance = 2.34489361624219 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.5992105854527082 Energy: 0.5967697013803425 Energy: 0.5992105854551454 Energy: 0.5967697013803425 Energy: 0.599210585452302 Energy: 0.5967697013803425 Energy: 0.6096952570759104 Energy: 0.5998571266950488 Energy: 0.6096952570710359 Energy: 0.5998571266922053 Energy: 0.6096952570734732 Energy: 0.5998571266926116 Energy: 0.626342400287825 Energy: 0.6341615776839102 Energy: 0.6263424002910747 Energy: 0.6341615776843164 Energy: 0.6263424002894499 Energy: 0.6341615776839102 Energy: 0.5823903451002121 Energy: 0.6442370454835372 Energy: 0.5823903450993997 Energy: 0.644237045483131 Energy: 0.5823903451010245 Energy: 0.6442370454835372 Energy: 0.6043504314317187 Energy: 0.5776914027326214 Energy: 0.6043504314337498 Energy: 0.5776914027322152 Energy: 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0.6487846661881045 Energy: 0.6295347378233431 Energy: 0.6487846661897294 Energy: 0.6295347378229369 Energy: 0.6487846661885107 Energy: 0.6295347378233431 Energy: 0.6219956749020293 Energy: 0.6343686095842301 Energy: 0.6219956749020293 Energy: 0.6343686095826052 Energy: 0.6219956749012169 Energy: 0.6343686095830114 Energy: 0.6206886460391383 Energy: 0.6103857422584211 Energy: 0.6206886460367379 Energy: 0.6103857422584211 Energy: 0.6206886460391383 Energy: 0.6103857422584211 Energy: 0.6224528978892332 Energy: 0.6338106787122312 Energy: 0.6224528978867959 Energy: 0.6338106787122312 Energy: 0.6224528978892332 Energy: 0.6338106787134498 Energy: 0.6485639112349909 Energy: 0.6293952464176238 Energy: 0.6485639112329599 Energy: 0.6293952464168114 Energy: 0.6485639112329599 Energy: 0.6293952464188425 Energy: 0.6214477566328565 Energy: 0.6349701363178084 Energy: 0.6214477566324502 Energy: 0.6349701363178084 Energy: 0.6214477566312316 Energy: 0.6349701363174022 Energy: 0.5695827917732883 Energy: 0.6762581200424345 Energy: 0.5695827917720697 Energy: 0.6762581200420282 Energy: 0.5695827917736945 Energy: 0.6762581200420282 Energy: 0.6305779663980777 Energy: 0.6187502431828944 Energy: 0.6305779663972653 Energy: 0.6187502431792384 Energy: 0.6305779663972653 Energy: 0.6187502431796447 Energy: 0.6130174327712745 Energy: 0.6065066437632853 Energy: 0.6130174327728993 Energy: 0.606506643764504 Energy: 0.6130174327737118 Energy: 0.6065066437636915 Energy: 0.6224325434573702 Energy: 0.5972086402047906 Energy: 0.6224325434577764 Energy: 0.5972086402047906 Energy: 0.6224325434581826 Energy: 0.5972086402047906 Energy: 0.6776390251068071 Energy: 0.6152663821010972 Energy: 0.6776390251047759 Energy: 0.6152663821010972 Energy: 0.6776390251051821 Energy: 0.6152663821002847 Energy: 0.5807060296281807 Energy: 0.6226241311321691 Energy: 0.5807060296245249 Energy: 0.622624131136231 Energy: 0.580706029626962 Energy: 0.622624131160604 Energy: 0.6077202232366333 Energy: 0.6377791125726878 Energy: 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0.6442606046639776 Energy: 0.582340141268821 Energy: 0.6442606046643838 Energy: 0.6264866691023709 Energy: 0.6343650025456639 Energy: 0.6264866691023709 Energy: 0.6343650025456639 Energy: 0.6264866691023709 Energy: 0.6343650025456639 Energy: 0.609876141406391 Energy: 0.5851199021952281 Energy: 0.6098761414080158 Energy: 0.5851199021960405 Energy: 0.6098761414067974 Energy: 0.5851199021960405 Energy: 0.5992105854510834 Energy: 0.596769701384774 Energy: 0.5992105854510834 Energy: 0.596769701384774 Energy: 0.5992105854506771 Energy: 0.5967697013851803 Energy: 0.6096952570783477 Energy: 0.5779086748539847 Energy: 0.6096952570755042 Energy: 0.5779086748543909 Energy: 0.6096952570803789 Energy: 0.5779086748539847 Energy: 0.6263424002870125 Energy: 0.6341615776839102 Energy: 0.6263424002862 Energy: 0.6341615776839102 Energy: 0.6263424002866063 Energy: 0.6341615776835039 Energy: 0.5823903450985872 Energy: 0.6600537568686082 Energy: 0.5823903450989935 Energy: 0.6600537568686082 Energy: 0.5823903450993997 Energy: 0.660053756868202 Energy: 0.6043504314325312 Energy: 0.57769140273384 Energy: 0.6043504314321249 Energy: 0.57769140273384 Energy: 0.6043504314329374 Energy: 0.5776914027334338 minimum gb energy = 0.549709914715046 eV minimum distance = 2.37386626105903 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5657963070511612 Energy: 0.551802119227004 Energy: 0.5657963070504999 Energy: 0.5518021192256812 Energy: 0.5657963070504999 Energy: 0.5518021192263426 Energy: 0.6217533393885769 Energy: 0.5442170618261907 Energy: 0.6217533393898997 Energy: 0.5442170618255293 Energy: 0.6217533393885769 Energy: 0.5442170618261907 Energy: 0.6576639706823383 Energy: 0.588824906243398 Energy: 0.6576639706810156 Energy: 0.588824906243398 Energy: 0.6576639706863068 Energy: 0.588824906243398 Energy: 0.5291736346664392 Energy: 0.6077654962857437 Energy: 0.5291736346657777 Energy: 0.6077654962857437 Energy: 0.5291736346657777 Energy: 0.6077654962850824 Energy: 0.6228038556441197 Energy: 0.5089617722534623 Energy: 0.6228038556441197 Energy: 0.5089617722521395 Energy: 0.6228038556441197 Energy: 0.5089617722528009 Energy: 0.6060118830309076 Energy: 0.5444793398389152 Energy: 0.6060118830309076 Energy: 0.5444793398389152 Energy: 0.6060118830322304 Energy: 0.5444793398389152 Energy: 0.5490459394877646 Energy: 0.5864412915453434 Energy: 0.5490459394864419 Energy: 0.5864412915460049 Energy: 0.5490459394917331 Energy: 0.5864412915460049 Energy: 0.7085774906914707 Energy: 0.5720483814601919 Energy: 0.7085774906921322 Energy: 0.5720483814621763 Energy: 0.7085774906927936 Energy: 0.5720483814628377 Energy: 0.5513002164526146 Energy: 0.5452678439316683 Energy: 0.5513002164539375 Energy: 0.5452678439323297 Energy: 0.5513002164526146 Energy: 0.5452678439316683 Energy: 0.5579950790408145 Energy: 0.5625195953768523 Energy: 0.5579950790408145 Energy: 0.5625195953768523 Energy: 0.5579950790388303 Energy: 0.5625195953775137 Energy: 0.5165295582331553 Energy: 0.6904747291134741 Energy: 0.5165295582305095 Energy: 0.6904747291134741 Energy: 0.5165295582324939 Energy: 0.6904747291141354 Energy: 0.5759507179379997 Energy: 0.5235457437709968 Energy: 0.575950717936677 Energy: 0.5235457437709968 Energy: 0.5759507179386611 Energy: 0.5235457437703354 Energy: 0.5557410727715417 Energy: 0.591413930423302 Energy: 0.5557410727715417 Energy: 0.591413930423302 Energy: 0.5557410727722031 Energy: 0.591413930423302 Energy: 0.5273239112177899 Energy: 0.6487476571322819 Energy: 0.5273239112177899 Energy: 0.6487476571329432 Energy: 0.5273239112171285 Energy: 0.6487476571322819 Energy: 0.6175478253069591 Energy: 0.5557556638652539 Energy: 0.6175478253069591 Energy: 0.5557556638705451 Energy: 0.6175478253062975 Energy: 0.5557556638685609 Energy: 0.5549746638750791 Energy: 0.5549398582774809 Energy: 0.5549746638750791 Energy: 0.5549398582774809 Energy: 0.5549746638737563 Energy: 0.5549398582774809 Energy: 0.5737626578899473 Energy: 0.6244585211022236 Energy: 0.5737626578912701 Energy: 0.6244585211028849 Energy: 0.5737626578892859 Energy: 0.6244585211022236 Energy: 0.5855904306790345 Energy: 0.5607541124259405 Energy: 0.5855904306803572 Energy: 0.5607541124272633 Energy: 0.585590430678373 Energy: 0.5607541124266019 Energy: 0.5364004050225475 Energy: 0.6538997981083503 Energy: 0.5364004050251931 Energy: 0.6538997981083503 Energy: 0.536400405023209 Energy: 0.6538997981090117 Energy: 0.5286632766154642 Energy: 0.6029329326817329 Energy: 0.5286632766161258 Energy: 0.6029329326817329 Energy: 0.5286632766154642 Energy: 0.6029329326817329 Energy: 0.6034495860716286 Energy: 0.5801898512137551 Energy: 0.6034495860709672 Energy: 0.5801898512137551 Energy: 0.6034495860696443 Energy: 0.5801898512137551 Energy: 0.5284722453387687 Energy: 0.6570444427651129 Energy: 0.5284722453381072 Energy: 0.6570444427644514 Energy: 0.5284722453381072 Energy: 0.6570444427651129 Energy: 0.5724323540548697 Energy: 0.5762500104093692 Energy: 0.572432354058778 Energy: 0.5762500104093692 Energy: 0.5724323540555311 Energy: 0.5762500104093692 Energy: 0.5783563958578278 Energy: 0.6567781471961819 Energy: 0.5783563958598121 Energy: 0.6567781471961819 Energy: 0.5783563958604736 Energy: 0.6567781471961819 Energy: 0.5807353070965054 Energy: 0.701983601198164 Energy: 0.5807353070951825 Energy: 0.7019836011988255 Energy: 0.5807353070978282 Energy: 0.701983601198164 Energy: 0.5540839154632243 Energy: 0.575279088266419 Energy: 0.5540839154652085 Energy: 0.5752790882670804 Energy: 0.5540839154638858 Energy: 0.5752790882677418 Energy: 0.5254248562736905 Energy: 0.6535681014832039 Energy: 0.5254248562743519 Energy: 0.6535681014832039 Energy: 0.5254248562756748 Energy: 0.6535681014832039 minimum gb energy = 0.5089617722521395 eV minimum distance = 2.33482392199494 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5271043868230263 Energy: 0.49197133563933754 Energy: 0.5271043868225445 Energy: 0.49197133563885564 Energy: 0.5271043868230263 Energy: 0.49197133563933754 Energy: 0.5389916954527812 Energy: 0.5008628281194193 Energy: 0.5389916954522993 Energy: 0.5008628281199011 Energy: 0.5389916954513355 Energy: 0.5008628281199011 Energy: 0.5645779571423695 Energy: 0.5039446129919645 Energy: 0.5645779571428513 Energy: 0.5039446129924464 Energy: 0.5645779571428513 Energy: 0.5039446129924464 Energy: 0.5015304862754 Energy: 0.5178289863482909 Energy: 0.5015304862754 Energy: 0.5178289863487728 Energy: 0.5015304862739544 Energy: 0.5178289863487728 Energy: 0.5380380726059134 Energy: 0.47673161167852074 Energy: 0.5380380726044676 Energy: 0.47673161167852074 Energy: 0.5380380726049495 Energy: 0.4767316116780389 Energy: 0.5089649279428647 Energy: 0.48514209433608046 Energy: 0.5089649279438285 Energy: 0.48514209433656236 Energy: 0.5089649279447924 Energy: 0.4851420943355985 Energy: 0.5980238161086754 Energy: 0.503977393304476 Energy: 0.5980238161072297 Energy: 0.503977393304476 Energy: 0.5980238161081934 Energy: 0.5039773933039942 Energy: 0.5349101490415613 Energy: 0.4671718154526024 Energy: 0.5349101490420433 Energy: 0.4671718154530843 Energy: 0.534910149043489 Energy: 0.4671718154526024 Energy: 0.48848782044887284 Energy: 0.47785431346054974 Energy: 0.48848782044887284 Energy: 0.47785431346054974 Energy: 0.48848782044983663 Energy: 0.47785431346054974 Energy: 0.5423263376712794 Energy: 0.47931638320325437 Energy: 0.5423263376722431 Energy: 0.4793163832027725 Energy: 0.5423263376717613 Energy: 0.47931638320325437 Energy: 0.5849720631490932 Energy: 0.524339223292495 Energy: 0.584972063150057 Energy: 0.524339223292495 Energy: 0.584972063150057 Energy: 0.524339223292495 Energy: 0.46215353575711793 Energy: 0.4790176754687884 Energy: 0.46215353575711793 Energy: 0.47901767546782453 Energy: 0.46215353575711793 Energy: 0.4790176754683065 Energy: 0.5418091616809474 Energy: 0.46062150846679156 Energy: 0.5418091616766102 Energy: 0.46062150846679156 Energy: 0.5418091616814293 Energy: 0.46062150846679156 Energy: 0.583379746607153 Energy: 0.5796687160955093 Energy: 0.583379746606671 Energy: 0.5796687160955093 Energy: 0.583379746607153 Energy: 0.5796687160955093 Energy: 0.4793486622281536 Energy: 0.48021897737841573 Energy: 0.4793486622267079 Energy: 0.4802189773779338 Energy: 0.47934866222767164 Energy: 0.4802189773779338 Energy: 0.5079782790404128 Energy: 0.505990602741284 Energy: 0.5079782790408947 Energy: 0.5059906027422479 Energy: 0.5079782790404128 Energy: 0.5059906027422479 Energy: 0.49093979681299743 Energy: 0.5728156794331997 Energy: 0.4909397968134793 Energy: 0.5728156794331997 Energy: 0.490939796809624 Energy: 0.5728156794331997 Energy: 0.4957692482665777 Energy: 0.47954335468290865 Energy: 0.49576924826705965 Energy: 0.4795433546800172 Energy: 0.49576924826705965 Energy: 0.47954335468290865 Energy: 0.48611537239381847 Energy: 0.531813290456812 Energy: 0.48611537239478236 Energy: 0.531813290456812 Energy: 0.4861153723933365 Energy: 0.531813290457294 Energy: 0.506677564491149 Energy: 0.5263405490490909 Energy: 0.506677564491149 Energy: 0.5263405490490909 Energy: 0.5066775644916309 Energy: 0.5263405490486089 Energy: 0.5332182057949623 Energy: 0.4904467588199874 Energy: 0.5332182057959262 Energy: 0.4904467588185417 Energy: 0.5332182057954442 Energy: 0.49044675881902355 Energy: 0.5035398851937648 Energy: 0.5349388814654695 Energy: 0.5035398851928009 Energy: 0.5349388814654695 Energy: 0.5035398851932829 Energy: 0.5349388814659515 Energy: 0.5174960566532403 Energy: 0.5327369971329503 Energy: 0.5174960566542042 Energy: 0.5327369971334323 Energy: 0.5174960566537222 Energy: 0.5327369971329503 Energy: 0.5089156547386627 Energy: 0.4888733735772655 Energy: 0.5089156547381809 Energy: 0.4888733735772655 Energy: 0.5089156547367351 Energy: 0.4888733735767836 Energy: 0.46265335738066565 Energy: 0.5236099894300913 Energy: 0.46265335738162955 Energy: 0.5236099894300913 Energy: 0.46265335738066565 Energy: 0.5236099894300913 Energy: 0.472565318746567 Energy: 0.5159208931387552 Energy: 0.4725653187456032 Energy: 0.5159208931387552 Energy: 0.4725653187460851 Energy: 0.5159208931387552 Energy: 0.5106003281150386 Energy: 0.4716868186237181 Energy: 0.5106003281155206 Energy: 0.4716868186237181 Energy: 0.5106003281150386 Energy: 0.47168681862420003 Energy: 0.4363581511002873 Energy: 0.5194790396771882 Energy: 0.43635815110173304 Energy: 0.5194790396771882 Energy: 0.4363581511002873 Energy: 0.5194790396776701 Energy: 0.47242793608752004 Energy: 0.48665689506882426 Energy: 0.4724279360870381 Energy: 0.48665689506882426 Energy: 0.47242793608752004 Energy: 0.48665689506882426 Energy: 0.4752892532837841 Energy: 0.46611324288441747 Energy: 0.47528925328474786 Energy: 0.4661132428839355 Energy: 0.4752892532833021 Energy: 0.4661132428839355 Energy: 0.47145538949361093 Energy: 0.5211000099421969 Energy: 0.44835976907989733 Energy: 0.521100009941233 Energy: 0.4714553894940929 Energy: 0.5211000099421969 Energy: 0.47265879910426617 Energy: 0.46922283487617905 Energy: 0.47265879910426617 Energy: 0.469222834876661 Energy: 0.47265879910426617 Energy: 0.469222834876661 Energy: 0.4597280662636645 Energy: 0.5235279379470792 Energy: 0.4597280662636645 Energy: 0.5235279379465972 Energy: 0.4597280662636645 Energy: 0.5235279379470792 Energy: 0.5852019905794356 Energy: 0.5240829833999897 Energy: 0.5852019905794356 Energy: 0.5240829833999897 Energy: 0.5852019905794356 Energy: 0.5240829833999897 Energy: 0.4736841507205351 Energy: 0.454889516237114 Energy: 0.47368415072005315 Energy: 0.45488951623663204 Energy: 0.4736841507190893 Energy: 0.45488951623663204 Energy: 0.4242349990937977 Energy: 0.5218673741954354 Energy: 0.4242349990937977 Energy: 0.5218673741959171 Energy: 0.42423499909427964 Energy: 0.5218673741959171 minimum gb energy = 0.4242349990937977 eV minimum distance = 2.32297725350626 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.23884858230307704 Energy: 0.26675314290415675 Energy: 0.0120757732876561 Energy: 0.26675314290415675 Energy: 0.23884858230307704 Energy: 0.26675314290415675 Energy: 0.6153845625460114 Energy: 0.01313299842845824 Energy: 0.6153845625460114 Energy: 0.01313299842845824 Energy: 0.6153845625460114 Energy: 0.01313299842845824 Energy: 0.2665993584394014 Energy: 0.012551466739179156 Energy: 0.26659935844117205 Energy: 0.012551466739179156 Energy: 0.2665993584394014 Energy: 0.012551466739179156 Energy: 0.0120757732876561 Energy: 0.26675314290415675 Energy: 0.0120757732876561 Energy: 0.26675314290415675 Energy: 0.0120757732876561 Energy: 0.26675314290415675 Energy: 0.6153845625460114 Energy: 0.013132998426687591 Energy: 0.6153845625442407 Energy: 0.013132998426687591 Energy: 0.6153845625460114 Energy: 0.013132998426687591 Energy: 0.2665993584376509 Energy: 0.012551466739179156 Energy: 0.2665993584376509 Energy: 0.012551466739179156 Energy: 0.2665993584376509 Energy: 0.012551466739179156 Energy: 0.23884858230307704 Energy: 0.2667531429023861 Energy: 0.0120757732876561 Energy: 0.2667531429023861 Energy: 0.23884858230307704 Energy: 0.26675314290415675 Energy: 0.6153845625460114 Energy: 0.013132998423146296 Energy: 0.6153845625460114 Energy: 0.013132998424916944 Energy: 0.6153845625460114 Energy: 0.013132998424916944 Energy: 0.2665993584394014 Energy: 0.012551466739179156 Energy: 0.2665993584394014 Energy: 0.012551466739179156 Energy: 0.2665993584394014 Energy: 0.012551466739179156 Energy: 0.0120757732876561 Energy: 0.26675314290415675 Energy: 0.0120757732876561 Energy: 0.26675314290415675 Energy: 0.0120757732876561 Energy: 0.26675314290415675 minimum gb energy = 0.0120757732876561 eV minimum distance = 2.49817287716413 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.4185692764703888 Energy: 0.3561660424878926 Energy: 0.41856927647091874 Energy: 0.3561660424878926 Energy: 0.41856927647091874 Energy: 0.35616604248842243 Energy: 0.35752342592433906 Energy: 0.41757050791589084 Energy: 0.35752342592380915 Energy: 0.4175705079164207 Energy: 0.35752342592380915 Energy: 0.4175705079164207 Energy: 0.42742345596130216 Energy: 0.4152106723822707 Energy: 0.42742345596130216 Energy: 0.4152106723822707 Energy: 0.42742345596130216 Energy: 0.41521067238280057 Energy: 0.40666770509378747 Energy: 0.40173849326935535 Energy: 0.4066677050943173 Energy: 0.40173849326935535 Energy: 0.40666770509378747 Energy: 0.40173849326935535 Energy: 0.3669249787426664 Energy: 0.4173420458245354 Energy: 0.3669249787426664 Energy: 0.4173420458240055 Energy: 0.3669249787416066 Energy: 0.4173420458240055 Energy: 0.4293716398183924 Energy: 0.4199627867912052 Energy: 0.4293716398173327 Energy: 0.4199627867912052 Energy: 0.4293716398173327 Energy: 0.4199627867912052 Energy: 0.41704558015964543 Energy: 0.40975558521282585 Energy: 0.4170455801585857 Energy: 0.4097555852122959 Energy: 0.41704558015964543 Energy: 0.4097555852122959 Energy: 0.36396466902660896 Energy: 0.4024045283936114 Energy: 0.3639646690276687 Energy: 0.4024045283936114 Energy: 0.36396466902713887 Energy: 0.40240452839308155 Energy: 0.43743537982679553 Energy: 0.42496090581458046 Energy: 0.4374353798262657 Energy: 0.4249609058140506 Energy: 0.4374353798262657 Energy: 0.42496090581458046 Energy: 0.41946805638108564 Energy: 0.40109083253782907 Energy: 0.41946805638108564 Energy: 0.40109083253782907 Energy: 0.4194680563805558 Energy: 0.40109083253782907 Energy: 0.38980958190255427 Energy: 0.410146020628528 Energy: 0.38980958190202436 Energy: 0.41014602062799815 Energy: 0.38980958190255427 Energy: 0.410146020628528 Energy: 0.44733795263889364 Energy: 0.44981336431556307 Energy: 0.4473379526394235 Energy: 0.4498133643150332 Energy: 0.44733795263889364 Energy: 0.44981336431821245 Energy: 0.4107278015939581 Energy: 0.37564232833303923 Energy: 0.41072780159342825 Energy: 0.37564232833303923 Energy: 0.4107278015939581 Energy: 0.37564232833303923 Energy: 0.40509107021881835 Energy: 0.38209818071645274 Energy: 0.4050910702193482 Energy: 0.3820981807159229 Energy: 0.4050910702193482 Energy: 0.3820981807159229 Energy: 0.42188881482454205 Energy: 0.4372796093635879 Energy: 0.42188881482401214 Energy: 0.43727960936305804 Energy: 0.42188881482401214 Energy: 0.43727960936305804 Energy: 0.4151399634735439 Energy: 0.36904354905317105 Energy: 0.4151399634740738 Energy: 0.3690435490537009 Energy: 0.41513996347460363 Energy: 0.36904354905423076 Energy: 0.3222968916455738 Energy: 0.4456264435230187 Energy: 0.3222968916445381 Energy: 0.4456264435224888 Energy: 0.32229689164504394 Energy: 0.4456264435224888 Energy: 0.4159843892703748 Energy: 0.40826393601882216 Energy: 0.41598438926931497 Energy: 0.40826393601882216 Energy: 0.4159843892703748 Energy: 0.408263936019352 Energy: 0.4163183777598178 Energy: 0.365949376457191 Energy: 0.41631837776034764 Energy: 0.365949376457191 Energy: 0.41631837776034764 Energy: 0.365949376457191 Energy: 0.41314592017433754 Energy: 0.44020624873604314 Energy: 0.41314592017539725 Energy: 0.440206248736573 Energy: 0.4131459201748674 Energy: 0.440206248736573 Energy: 0.41966667260507445 Energy: 0.29442403532236044 Energy: 0.4196666726045446 Energy: 0.2944240353228903 Energy: 0.41966667260507445 Energy: 0.29442403532342015 Energy: 0.3893375234387111 Energy: 0.40445855161150857 Energy: 0.38933752343818123 Energy: 0.40445855161150857 Energy: 0.38933752343924094 Energy: 0.40445855161150857 Energy: 0.42072199788381015 Energy: 0.38990667349906255 Energy: 0.42072199788486986 Energy: 0.3899066734995924 Energy: 0.42072199788486986 Energy: 0.3899066735001223 Energy: 0.4211324979731995 Energy: 0.2926980140180637 Energy: 0.42113249797372937 Energy: 0.2926980140180637 Energy: 0.42113249797372937 Energy: 0.2926980140180637 Energy: 0.4173748398918969 Energy: 0.42379361643575514 Energy: 0.4173748398918969 Energy: 0.42379361643575514 Energy: 0.41737483989242674 Energy: 0.4237936164352253 Energy: 0.4218816311672813 Energy: 0.4068586721302593 Energy: 0.4218816311667514 Energy: 0.40685867213078913 Energy: 0.4218816311672813 Energy: 0.40685867213078913 Energy: 0.4756173079263691 Energy: 0.3574113584307061 Energy: 0.47561730792689894 Energy: 0.3574113584307061 Energy: 0.4756173079263691 Energy: 0.3574113584301762 Energy: 0.4233078062019261 Energy: 0.4419893063464216 Energy: 0.42330780620139624 Energy: 0.4419893063464216 Energy: 0.42330780620245595 Energy: 0.4419893063464216 Energy: 0.4139980369863491 Energy: 0.4142581126768027 Energy: 0.4139980369863491 Energy: 0.4142581126768027 Energy: 0.4139980369858193 Energy: 0.4142581126762728 Energy: 0.475906998416396 Energy: 0.38352084766445266 Energy: 0.4759069984169258 Energy: 0.38352084766445266 Energy: 0.475906998416396 Energy: 0.3835208476639228 Energy: 0.45423300659398286 Energy: 0.438401380824651 Energy: 0.454233006593453 Energy: 0.438401380824651 Energy: 0.45423300659398286 Energy: 0.438401380824651 Energy: 0.39650240622039934 Energy: 0.41939591615246885 Energy: 0.39650240622039934 Energy: 0.41939591615246885 Energy: 0.39650240622039934 Energy: 0.4193959161529987 Energy: 0.4317015714231672 Energy: 0.43532686770781254 Energy: 0.43170157142369703 Energy: 0.43532686770781254 Energy: 0.4317015714231672 Energy: 0.4353268677072827 minimum gb energy = 0.2926980140180637 eV minimum distance = 2.38371668650193 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.5645983617641414 Energy: 0.5378946003229246 Energy: 0.5645983617664063 Energy: 0.5378946003221695 Energy: 0.5645983617641414 Energy: 0.5378946003221695 Energy: 0.5311358624055955 Energy: 0.5470544045673035 Energy: 0.5311358624071054 Energy: 0.5470544045680584 Energy: 0.5311358624048405 Energy: 0.5470544045673035 Energy: 0.5721899611274833 Energy: 0.5502041490699812 Energy: 0.6140049356869877 Energy: 0.5502041490699812 Energy: 0.5638273692156063 Energy: 0.5502041490692262 Energy: 0.5542718760758465 Energy: 0.5583231308281027 Energy: 0.5542718760758465 Energy: 0.5583231308281027 Energy: 0.5542718760750915 Energy: 0.5583231308281027 Energy: 0.4962312200400797 Energy: 0.5238522324326323 Energy: 0.49623122003932474 Energy: 0.5238522324326323 Energy: 0.4962312200400797 Energy: 0.5238522324318774 Energy: 0.5644329461055357 Energy: 0.5481620303270215 Energy: 0.5644329461047807 Energy: 0.5481620303270215 Energy: 0.5644329461047807 Energy: 0.5481620303263008 Energy: 0.5246735983417027 Energy: 0.5354660064025877 Energy: 0.5246735983439678 Energy: 0.5354660064025877 Energy: 0.5246735983424577 Energy: 0.5354660064025877 Energy: 0.5282446915106791 Energy: 0.5153730589402621 Energy: 0.5282446915091691 Energy: 0.5153730589395071 Energy: 0.528244691511434 Energy: 0.5153730589402621 Energy: 0.5801728659818937 Energy: 0.5853891891110152 Energy: 0.5801728659803838 Energy: 0.5853891891102603 Energy: 0.5801728659818937 Energy: 0.5853891891110152 Energy: 0.5443934852564569 Energy: 0.5055123069272281 Energy: 0.544393485255702 Energy: 0.5055123069249631 Energy: 0.5443934852564569 Energy: 0.5055123069272281 Energy: 0.5685892713061605 Energy: 0.5536595290071324 Energy: 0.5685892713069155 Energy: 0.5536595290071324 Energy: 0.5685892713046505 Energy: 0.5536595290071324 Energy: 0.5291814996614453 Energy: 0.5543909941520767 Energy: 0.5291814996622003 Energy: 0.5543909941520767 Energy: 0.5291814996606903 Energy: 0.5543909941528318 Energy: 0.5437407469591765 Energy: 0.5323542078288899 Energy: 0.5437407469576664 Energy: 0.5323542078296448 Energy: 0.5437407469576664 Energy: 0.5323542078296448 Energy: 0.5389677941508219 Energy: 0.5541063173917545 Energy: 0.5389677941508219 Energy: 0.5541063173925095 Energy: 0.5389677941515768 Energy: 0.5541063173917545 Energy: 0.5296713088793998 Energy: 0.529925460379548 Energy: 0.5296713088786449 Energy: 0.5299254603787931 Energy: 0.52967130888091 Energy: 0.529925460379548 Energy: 0.5547858129858848 Energy: 0.5383879165248135 Energy: 0.5547858129858848 Energy: 0.5383879165248135 Energy: 0.5547858129873948 Energy: 0.5383879165248135 Energy: 0.5593565051606949 Energy: 0.5524172010458452 Energy: 0.5593565051591849 Energy: 0.5524172010458452 Energy: 0.55935650515994 Energy: 0.5524172010458452 Energy: 0.5380971430891618 Energy: 0.5235418785058965 Energy: 0.5380971430906719 Energy: 0.5235418785066515 Energy: 0.538097143089917 Energy: 0.5235418785066515 Energy: 0.549121070069096 Energy: 0.5649260432903913 Energy: 0.549121070069096 Energy: 0.5649260432896362 Energy: 0.5491210700683409 Energy: 0.5649260432903913 Energy: 0.519960667691715 Energy: 0.5512079333251704 Energy: 0.5199606676894499 Energy: 0.5512079333251704 Energy: 0.519960667690205 Energy: 0.5512079333251704 Energy: 0.5665809993030415 Energy: 0.5333705547141699 Energy: 0.5665809993045516 Energy: 0.5333705547149251 Energy: 0.5665809993037965 Energy: 0.5333705547149251 Energy: 0.555613825690307 Energy: 0.5860345987424338 Energy: 0.555613825691062 Energy: 0.5860345987424338 Energy: 0.555613825691062 Energy: 0.5860345987424338 Energy: 0.5343503757369612 Energy: 0.5506613100182091 Energy: 0.5343503757376818 Energy: 0.5506613100182091 Energy: 0.5343503757362061 Energy: 0.550661310017454 minimum gb energy = 0.49623122003932474 eV minimum distance = 2.38822818120745 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.6430637184113243 Energy: 0.6132221623686547 Energy: 0.6430637184094083 Energy: 0.6132221623696127 Energy: 0.6430637184108452 Energy: 0.6132221623696127 Energy: 0.6117319622109861 Energy: 0.6257829670778868 Energy: 0.6117319622109861 Energy: 0.6257829670778868 Energy: 0.611731962212423 Energy: 0.6257829670778868 Energy: 0.6377152841446638 Energy: 0.6261338443026652 Energy: 0.6377152841446638 Energy: 0.6261338443026652 Energy: 0.6377152841451428 Energy: 0.6261338443026652 Energy: 0.6348053665515969 Energy: 0.6426496565649636 Energy: 0.6348053665515969 Energy: 0.6426496565644847 Energy: 0.6348053665525548 Energy: 0.6426496565649636 Energy: 0.6230661379659431 Energy: 0.6232025500453386 Energy: 0.6230661379669009 Energy: 0.6232025500453386 Energy: 0.6230661379664221 Energy: 0.6232025500448597 Energy: 0.6749615068418291 Energy: 0.6394098394748295 Energy: 0.6749615068403921 Energy: 0.6394098394748295 Energy: 0.6749615068413501 Energy: 0.6394098394748295 Energy: 0.6107623691238662 Energy: 0.6141225138341054 Energy: 0.6107623691253031 Energy: 0.6141225138336265 Energy: 0.6107623691229082 Energy: 0.6141225138336265 Energy: 0.6520771888277915 Energy: 0.6420499510131505 Energy: 0.6520771888268335 Energy: 0.6420499510131505 Energy: 0.6520771888273125 Energy: 0.6420499510131505 Energy: 0.6272634582032818 Energy: 0.6549043081354433 Energy: 0.6272634582023238 Energy: 0.6549043081354433 Energy: 0.6272634582032818 Energy: 0.6549043081354433 Energy: 0.6452619858304859 Energy: 0.6230459822339395 Energy: 0.6452619858309648 Energy: 0.6230459822339395 Energy: 0.6452619858309648 Energy: 0.6230459822339395 Energy: 0.6546375030612016 Energy: 0.6205031339645728 Energy: 0.6546375030612016 Energy: 0.6205031339650519 Energy: 0.6546375030616806 Energy: 0.6205031339650519 Energy: 0.6122183521641892 Energy: 0.6199410178045689 Energy: 0.6122183521651472 Energy: 0.6199410178050478 Energy: 0.6122183521641892 Energy: 0.6199410178040899 Energy: 0.6408578831400051 Energy: 0.6151753667057573 Energy: 0.6408578831395263 Energy: 0.6151753667062364 Energy: 0.6408578831414421 Energy: 0.6151753667057573 Energy: 0.6171032277270136 Energy: 0.6275560992383337 Energy: 0.6171032277250976 Energy: 0.6275560992378548 Energy: 0.6171032277260556 Energy: 0.6275560992378548 Energy: 0.6113765780649522 Energy: 0.6211260885832404 Energy: 0.6113765780673469 Energy: 0.6211260885837193 Energy: 0.61137657806591 Energy: 0.6211260885837193 Energy: 0.6342693385944188 Energy: 0.6499074705900741 Energy: 0.6342693385939397 Energy: 0.6499074705900741 Energy: 0.6342693385934608 Energy: 0.6499074705900741 Energy: 0.6186947582770163 Energy: 0.6269701708173404 Energy: 0.6186947582741424 Energy: 0.6269701708168615 Energy: 0.6186947582751002 Energy: 0.6269701708163824 Energy: 0.6569713601080358 Energy: 0.6708962124494453 Energy: 0.6569713601070779 Energy: 0.6708962124494453 Energy: 0.6569713601075569 Energy: 0.6708962124489665 Energy: 0.601035101937842 Energy: 0.6496312590101722 Energy: 0.6010351019402369 Energy: 0.6496312590106511 Energy: 0.6010351019364052 Energy: 0.6496312590106511 Energy: 0.6308975819659554 Energy: 0.6275234230951894 Energy: 0.6308975819664343 Energy: 0.6275234230951894 Energy: 0.6308975819649973 Energy: 0.6275234230951894 Energy: 0.6316453915145643 Energy: 0.6482844798099675 Energy: 0.6316453915140854 Energy: 0.6482844798099675 Energy: 0.6316453915140854 Energy: 0.6482844798099675 Energy: 0.6124273092952589 Energy: 0.6137105534300912 Energy: 0.6124273092957379 Energy: 0.6137105534300912 Energy: 0.6124273092952589 Energy: 0.6137105534300912 Energy: 0.6480181250408936 Energy: 0.6207732663462892 Energy: 0.6480181250399357 Energy: 0.6207732663467681 Energy: 0.6480181250399357 Energy: 0.6207732663467681 Energy: 0.643380368835628 Energy: 0.6163810324503092 Energy: 0.6433803688341911 Energy: 0.6163810324507881 Energy: 0.6433803688341911 Energy: 0.6163810324503092 Energy: 0.6091087387601276 Energy: 0.6144618959952135 Energy: 0.6091087387586906 Energy: 0.6144618959952135 Energy: 0.6091087387596487 Energy: 0.6144618959952135 Energy: 0.6468003577537488 Energy: 0.6338389858441307 Energy: 0.6468003577537488 Energy: 0.6338389858441307 Energy: 0.6468003577527908 Energy: 0.6338389858441307 Energy: 0.6105738343251352 Energy: 0.6140381240624276 Energy: 0.6105738343236984 Energy: 0.6140381240624276 Energy: 0.6105738343232194 Energy: 0.6140381240619486 Energy: 0.62972838404687 Energy: 0.672901974200377 Energy: 0.629728384044954 Energy: 0.672901974200377 Energy: 0.629728384045912 Energy: 0.672901974200377 Energy: 0.6265096990060129 Energy: 0.6193229067305017 Energy: 0.626509699005534 Energy: 0.6193229067314596 Energy: 0.6265096990050549 Energy: 0.6193229067314596 Energy: 0.6010221823034291 Energy: 0.6107778543051645 Energy: 0.6010221823029502 Energy: 0.6107778543046856 Energy: 0.6010221823024713 Energy: 0.6107778543056435 Energy: 0.6755454731420872 Energy: 0.6729514255186344 Energy: 0.6755454731420872 Energy: 0.6729514255191134 Energy: 0.6755454731425662 Energy: 0.6729514255186344 Energy: 0.623933080242645 Energy: 0.6274051372133066 Energy: 0.623933080242645 Energy: 0.6274051372123486 Energy: 0.6239330802416873 Energy: 0.6274051372123486 Energy: 0.6339612946611527 Energy: 0.6434250339658864 Energy: 0.6339612946592368 Energy: 0.6434250339654074 Energy: 0.6339612946601947 Energy: 0.6434250339654074 Energy: 0.6255120903619131 Energy: 0.6224062208351613 Energy: 0.6255120903604762 Energy: 0.6224062208356401 Energy: 0.6255120903609551 Energy: 0.6224062208356401 Energy: 0.6164343228499594 Energy: 0.6266560579057598 Energy: 0.6164343228485225 Energy: 0.6266560579057598 Energy: 0.6164343228509173 Energy: 0.6266560579057598 Energy: 0.6321282527271647 Energy: 0.6125444934427824 Energy: 0.6321282527276436 Energy: 0.6125444934423034 Energy: 0.6321282527276436 Energy: 0.6125444934423034 Energy: 0.6127030970296767 Energy: 0.6176276103690869 Energy: 0.6127030970310701 Energy: 0.6176276103690869 Energy: 0.6127030970310701 Energy: 0.6176276103686078 minimum gb energy = 0.6010221823024713 eV minimum distance = 2.36309742148853 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.7738292031838455 Energy: 0.7925456643920362 Energy: 0.7738292031851532 Energy: 0.7925456643920362 Energy: 0.7738292031838455 Energy: 0.7925456643920362 Energy: 0.7454666373597388 Energy: 0.75223793690267 Energy: 0.7454666373610466 Energy: 0.75223793690267 Energy: 0.7454666373623244 Energy: 0.75223793690267 Energy: 0.8090364042496253 Energy: 0.7484751878981558 Energy: 0.8090364042496253 Energy: 0.7484751878981558 Energy: 0.8090364042496253 Energy: 0.7484751878981558 Energy: 0.7671306947353186 Energy: 0.7911607467204227 Energy: 0.7671306947366263 Energy: 0.7911607467204227 Energy: 0.7671306947353186 Energy: 0.7911607467204227 Energy: 0.7470401055723164 Energy: 0.7594839447122171 Energy: 0.7470401055710086 Energy: 0.7594839447122171 Energy: 0.7470401055723164 Energy: 0.7594839447122171 Energy: 0.8273498892171862 Energy: 0.8077180852055091 Energy: 0.8273498892171862 Energy: 0.8077180852055091 Energy: 0.8273498892171862 Energy: 0.8077180852055091 Energy: 0.7664134478824699 Energy: 0.7305255226649029 Energy: 0.7664134478811623 Energy: 0.7305255226649029 Energy: 0.7664134478824699 Energy: 0.7305255226649029 Energy: 0.775640707824045 Energy: 0.7520994711973072 Energy: 0.775640707824045 Energy: 0.7520994711959995 Energy: 0.775640707824045 Energy: 0.7520994711973072 Energy: 0.7479198163902593 Energy: 0.7454644516887887 Energy: 0.7479198163902593 Energy: 0.7454644516900965 Energy: 0.7479198163902593 Energy: 0.7454644516887887 Energy: 0.7668982909976172 Energy: 0.7588776691264649 Energy: 0.7668982909963095 Energy: 0.7588776691277725 Energy: 0.7668982909976172 Energy: 0.7588776691264649 Energy: 0.7417815977185974 Energy: 0.7489089256230755 Energy: 0.7417815977199052 Energy: 0.7489089256230755 Energy: 0.7417815977185974 Energy: 0.7489089256230755 Energy: 0.7711592691187251 Energy: 0.751483724401899 Energy: 0.7711592691174174 Energy: 0.7514837244032068 Energy: 0.7711592691187251 Energy: 0.751483724401899 Energy: 0.7782072241618249 Energy: 0.790369825690727 Energy: 0.7782072241618249 Energy: 0.790369825690727 Energy: 0.7782072241618249 Energy: 0.790369825690727 Energy: 0.7513820273090427 Energy: 0.7524008117822618 Energy: 0.7513820273090427 Energy: 0.7524008117822618 Energy: 0.7513820273090427 Energy: 0.7524008117822618 minimum gb energy = 0.7305255226649029 eV minimum distance = 2.35315186852318 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.9137194008905022 Energy: 0.885039394246962 Energy: 0.9137194008893532 Energy: 0.8850393942463874 Energy: 0.9137194008893532 Energy: 0.8850393942463874 Energy: 0.8392749100299639 Energy: 0.8625184091999789 Energy: 0.8392749100299639 Energy: 0.8625184091999789 Energy: 0.8392749100305384 Energy: 0.8625184091999789 Energy: 0.9025569921575913 Energy: 0.8689892298606735 Energy: 0.9025569921570168 Energy: 0.8689892298606735 Energy: 0.9025569921581658 Energy: 0.8689892298612479 Energy: 0.8796274800303895 Energy: 0.8460281566577235 Energy: 0.8796274800309639 Energy: 0.8460281566582979 Energy: 0.8796274800303895 Energy: 0.8460281566577235 Energy: 0.8970097609974056 Energy: 0.8482564600365099 Energy: 0.8970097609985546 Energy: 0.8482564600365099 Energy: 0.8970097609974056 Energy: 0.8482564600365099 Energy: 0.8563674689228502 Energy: 0.8985729425282135 Energy: 0.8563674689222758 Energy: 0.8985729425276391 Energy: 0.8563674689228502 Energy: 0.8985729425276391 Energy: 0.8779468679513137 Energy: 0.8674019762909744 Energy: 0.8779468679518884 Energy: 0.8674019762915488 Energy: 0.8779468679518884 Energy: 0.8674019762921233 Energy: 0.8700525713991382 Energy: 0.8761391017074636 Energy: 0.8700525713991382 Energy: 0.8761391017074636 Energy: 0.8700525713991382 Energy: 0.8761391017068891 Energy: 0.8836775607648427 Energy: 0.8636299067637471 Energy: 0.8836775607654171 Energy: 0.8636299067637471 Energy: 0.8836775607648427 Energy: 0.8636299067637471 Energy: 0.8648313265099702 Energy: 0.8897187236067373 Energy: 0.8648313265099702 Energy: 0.8897187236067373 Energy: 0.8648313265099702 Energy: 0.8897187236067373 Energy: 0.8724141111773802 Energy: 0.8675209237068708 Energy: 0.8724141111785293 Energy: 0.8675209237068708 Energy: 0.8724141111768058 Energy: 0.8675209237074454 Energy: 0.8782616254932946 Energy: 0.8661144739101404 Energy: 0.878261625493869 Energy: 0.8661144739101404 Energy: 0.87826162549272 Energy: 0.8661144739107149 Energy: 0.8803462549561768 Energy: 0.8630244844898589 Energy: 0.8803462549573258 Energy: 0.8630244844904333 Energy: 0.8803462549561768 Energy: 0.8630244844898589 Energy: 0.8641498618257262 Energy: 0.8713469778979973 Energy: 0.8641498618245772 Energy: 0.8713469778985717 Energy: 0.8641498618251517 Energy: 0.8713469778985717 Energy: 0.8567558821724169 Energy: 0.8759075915145937 Energy: 0.8567558821724169 Energy: 0.8759075915145937 Energy: 0.8567558821724169 Energy: 0.8759075915145937 Energy: 0.8683192526120738 Energy: 0.8617100927057711 Energy: 0.8683192526132226 Energy: 0.8617100927057711 Energy: 0.8683192526126482 Energy: 0.8617100927057711 Energy: 0.8416504098812884 Energy: 0.8665756773924884 Energy: 0.8416504098824372 Energy: 0.8665756773924884 Energy: 0.8416504098812884 Energy: 0.8665756773924884 Energy: 0.8751693019105484 Energy: 0.897138115732459 Energy: 0.8751693019093995 Energy: 0.897138115732459 Energy: 0.8751693019111229 Energy: 0.897138115732459 Energy: 0.8600161696423517 Energy: 0.8372772363553881 Energy: 0.8600161696440752 Energy: 0.8372772363553881 Energy: 0.8600161696429263 Energy: 0.8372772363553881 Energy: 0.8692548642270002 Energy: 0.8553938445556492 Energy: 0.8692548642275747 Energy: 0.8553938445562236 Energy: 0.8692548642281491 Energy: 0.8553938445562236 Energy: 0.8528427591196105 Energy: 0.8573558498488724 Energy: 0.8528427591178871 Energy: 0.8573558498494469 Energy: 0.852842759119036 Energy: 0.8573558498488724 Energy: 0.8729412816063863 Energy: 0.8941484045129717 Energy: 0.8729412816069607 Energy: 0.8941484045135463 Energy: 0.8729412816069607 Energy: 0.8941484045129717 Energy: 0.8757373753938265 Energy: 0.8731208251729188 Energy: 0.8757373753949754 Energy: 0.8731208251729188 Energy: 0.8757373753938265 Energy: 0.8731208251729188 Energy: 0.9005179785383111 Energy: 0.8650782142542814 Energy: 0.90051797853946 Energy: 0.8650782142542814 Energy: 0.90051797853946 Energy: 0.8650782142542814 Energy: 0.8617089165457589 Energy: 0.8811984281002794 Energy: 0.8617089165451844 Energy: 0.8811984281002794 Energy: 0.8617089165463334 Energy: 0.8811984281008539 Energy: 0.8584557939483001 Energy: 0.8571347763254146 Energy: 0.8584557939477255 Energy: 0.8571347763248401 Energy: 0.8584557939483001 Energy: 0.8571347763254146 Energy: 0.8538781750333597 Energy: 0.9130758739293677 Energy: 0.8538781750339343 Energy: 0.9130758739293677 Energy: 0.8538781750333597 Energy: 0.9130758739299422 Energy: 0.880732988995022 Energy: 0.8656865045343829 Energy: 0.8807329889944475 Energy: 0.8656865045343829 Energy: 0.880732988995022 Energy: 0.8656865045343829 Energy: 0.8618251485719309 Energy: 0.8754990482028963 Energy: 0.8618251485725054 Energy: 0.8754990482034708 Energy: 0.8618251485719309 Energy: 0.8754990482028963 Energy: 0.8667937342011035 Energy: 0.8442778530597856 Energy: 0.8667937341993801 Energy: 0.8442778530597856 Energy: 0.8667937342005291 Energy: 0.8442778530597856 Energy: 0.8487459810019984 Energy: 0.9065356568225617 Energy: 0.8487459810019984 Energy: 0.9065356568231362 Energy: 0.8487459810019984 Energy: 0.9065356568231362 minimum gb energy = 0.8372772363553881 eV minimum distance = 2.32457947441561 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8671410272965753 Energy: 0.8651180641797886 Energy: 0.8671410272965753 Energy: 0.8651180641797886 Energy: 0.8671410272965753 Energy: 0.8651180641797886 Energy: 0.8672989646219889 Energy: 0.8885401516005578 Energy: 0.8672989646230111 Energy: 0.8885401516005578 Energy: 0.8672989646219889 Energy: 0.8885401516005578 Energy: 0.8660609108529732 Energy: 0.8883766628611689 Energy: 0.8660609108539956 Energy: 0.8883766628611689 Energy: 0.8660609108509287 Energy: 0.8883766628601466 Energy: 0.8690337966123495 Energy: 0.8766482004674913 Energy: 0.8690337966123495 Energy: 0.8766482004674913 Energy: 0.8690337966123495 Energy: 0.8766482004674913 Energy: 0.8659769066171775 Energy: 0.8883880887151876 Energy: 0.8659769066181998 Energy: 0.8883880887151876 Energy: 0.8659769066181998 Energy: 0.8883880887151876 Energy: 0.8674456408574096 Energy: 0.9066298434146872 Energy: 0.8674456408584318 Energy: 0.9320779640157459 Energy: 0.8674456408574096 Energy: 0.8595222791623293 Energy: 0.8671410272975976 Energy: 0.8651180641808109 Energy: 0.8671410272975976 Energy: 0.8651180641808109 Energy: 0.8671410272975976 Energy: 0.8651180641808109 Energy: 0.8672989646209666 Energy: 0.8885401516005578 Energy: 0.8672989646209666 Energy: 0.8885401516005578 Energy: 0.8672989646209666 Energy: 0.8885401516005578 Energy: 0.8660609108529732 Energy: 0.8883766628611689 Energy: 0.8660609108529732 Energy: 0.8883766628611689 Energy: 0.8660609108550178 Energy: 0.8883766628611689 Energy: 0.8690337966103049 Energy: 0.8421110908159728 Energy: 0.8690337966113273 Energy: 0.8421110908159728 Energy: 0.8690337966103049 Energy: 0.8421110908159728 Energy: 0.8659769066151329 Energy: 0.8883880887151876 Energy: 0.8659769066151329 Energy: 0.8883880887151876 Energy: 0.8659769066171775 Energy: 0.8883880887151876 Energy: 0.8674456408584318 Energy: 0.8595222791623293 Energy: 0.8674456408584318 Energy: 0.8595222791623293 Energy: 0.8674456408584318 Energy: 0.8595222791623293 Energy: 0.8671410272965753 Energy: 0.8651180641808109 Energy: 0.8671410272975976 Energy: 0.8651180641808109 Energy: 0.8671410272965753 Energy: 0.8651180641797886 Energy: 0.8672989646230111 Energy: 0.8885401516015802 Energy: 0.8672989646219889 Energy: 0.8885401516015802 Energy: 0.8672989646219889 Energy: 0.8885401516005578 Energy: 0.8660609108509287 Energy: 0.8883766628611689 Energy: 0.8660609108529732 Energy: 0.8883766628611689 Energy: 0.8660609108519511 Energy: 0.8883766628611689 Energy: 0.8690337966123495 Energy: 0.8421110908159728 Energy: 0.8690337966123495 Energy: 0.8421110908159728 Energy: 0.8690337966123495 Energy: 0.8421110908159728 Energy: 0.8659769066151329 Energy: 0.8883880887151876 Energy: 0.8659769066171775 Energy: 0.8883880887151876 Energy: 0.8659769066171775 Energy: 0.8883880887151876 minimum gb energy = 0.8421110908159728 eV minimum distance = 2.33422065507803 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9506369867901453 Energy: 0.884870636151587 Energy: 0.9506369867909801 Energy: 0.884870636151587 Energy: 0.9506369867901453 Energy: 0.8848706361524218 Energy: 0.9173433926413439 Energy: 0.8833519067746337 Energy: 0.9173433926405091 Energy: 0.8833519067746337 Energy: 0.9173433926405091 Energy: 0.8833519067746337 Energy: 0.9181452531636546 Energy: 0.8858385733464325 Energy: 0.9181452531644893 Energy: 0.8858385733464325 Energy: 0.9181452531644893 Energy: 0.8858385733464325 Energy: 0.8914808158530817 Energy: 0.9663167917584611 Energy: 0.8914808158530817 Energy: 0.9663167917576264 Energy: 0.8914808158539164 Energy: 0.9663167917576264 Energy: 0.9211574371951702 Energy: 0.9089580067691955 Energy: 0.921157437196005 Energy: 0.9089580067691955 Energy: 0.921157437196005 Energy: 0.9089580067691955 Energy: 0.9211684762965192 Energy: 0.9040852626407303 Energy: 0.9211684762965192 Energy: 0.9040852626407303 Energy: 0.9211684762965192 Energy: 0.9040852626415651 Energy: 0.8810833776544825 Energy: 0.9241817812310399 Energy: 0.8810833776553174 Energy: 0.9241817812310399 Energy: 0.8810833776544825 Energy: 0.9241817812310399 Energy: 0.9001484058070466 Energy: 0.9167176724494794 Energy: 0.900148405808716 Energy: 0.9167176724503142 Energy: 0.9001484058078815 Energy: 0.9167176724503142 Energy: 0.9714440693324589 Energy: 0.9192252835388082 Energy: 0.9714440693316242 Energy: 0.9192252835388082 Energy: 0.9714440693324589 Energy: 0.9192252835388082 Energy: 0.8801161644007657 Energy: 0.9044625074477787 Energy: 0.8801161643982616 Energy: 0.9044625074477787 Energy: 0.8801161643982616 Energy: 0.9044625074477787 Energy: 0.8847345941932979 Energy: 0.9211211834537409 Energy: 0.8847345941949674 Energy: 0.9211211834537409 Energy: 0.8847345941924634 Energy: 0.9211211834545755 Energy: 0.9366184402508281 Energy: 0.8929713076178821 Energy: 0.9366184402349691 Energy: 0.8929713076178821 Energy: 0.9366184402499935 Energy: 0.8929713076178821 Energy: 0.8960116241968414 Energy: 0.9392066395601864 Energy: 0.896011624197676 Energy: 0.9392066395609829 Energy: 0.896011624197676 Energy: 0.9392066395609829 Energy: 0.8960743873567076 Energy: 0.9039134747817934 Energy: 0.8960743873567076 Energy: 0.9039134747817934 Energy: 0.896074387355873 Energy: 0.9039134747817934 Energy: 0.943274952398914 Energy: 0.8938154699821546 Energy: 0.943274952398914 Energy: 0.8938154699821546 Energy: 0.9432749523980792 Energy: 0.8938154699821546 Energy: 0.8973172201133818 Energy: 0.9150873403671284 Energy: 0.8973172201142163 Energy: 0.9150873403671284 Energy: 0.8973172201133818 Energy: 0.9150873403671284 Energy: 0.921865918556107 Energy: 0.9150714811223353 Energy: 0.921865918556107 Energy: 0.91507148112317 Energy: 0.921865918556107 Energy: 0.91507148112317 Energy: 1.0019878949871321 Energy: 0.9052138530512224 Energy: 1.0019878949862975 Energy: 0.9052138530503876 Energy: 1.0019878949862975 Energy: 0.9052138530503876 Energy: 0.882126177074465 Energy: 0.9070266880872471 Energy: 0.8821261770736302 Energy: 0.9070266880872471 Energy: 0.8821261770736302 Energy: 0.9070266880872471 Energy: 0.8871566126658166 Energy: 0.8844588437190068 Energy: 0.8871566126658166 Energy: 0.8844588437190068 Energy: 0.8871566126658166 Energy: 0.8844588437190068 Energy: 0.9596664182569168 Energy: 0.9208738817220065 Energy: 0.9596664182569168 Energy: 0.9208738817220065 Energy: 0.9596664182577515 Energy: 0.9208738817220065 minimum gb energy = 0.8801161643982616 eV minimum distance = 2.32182298414195 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.9679551493393389 Energy: 0.8692404797905894 Energy: 0.9679551493512999 Energy: 0.869240479791293 Energy: 0.9679551493386352 Energy: 0.8692404797927001 Energy: 0.9369031693026484 Energy: 0.8844377125850935 Energy: 0.9369031693033519 Energy: 0.8844377125850935 Energy: 0.9369031693047591 Energy: 0.8844377125850935 Energy: 0.8862923620901653 Energy: 0.8917821372791793 Energy: 0.8862923620908688 Energy: 0.8917821372798828 Energy: 0.8862923620915725 Energy: 0.8917821372791793 Energy: 0.8876323909653019 Energy: 0.880967027722941 Energy: 0.8876323909660055 Energy: 0.880967027722941 Energy: 0.8876323909660055 Energy: 0.880967027722941 Energy: 0.8857432455401855 Energy: 0.8963366155749796 Energy: 0.8857432455429998 Energy: 0.8963366155749796 Energy: 0.8857432455422962 Energy: 0.8963366155749796 Energy: 0.8841187209821741 Energy: 0.9491669223252395 Energy: 0.8841187209814705 Energy: 0.9491669223252395 Energy: 0.8841187209821741 Energy: 0.9491669223252395 Energy: 0.9041906326384688 Energy: 0.8997776200944393 Energy: 0.9041906326391723 Energy: 0.8997776200944393 Energy: 0.9041906326384688 Energy: 0.8997776200937356 Energy: 0.9233647161655688 Energy: 0.885490805827909 Energy: 0.9233647161655688 Energy: 0.8854908058272053 Energy: 0.9233647161662722 Energy: 0.885490805827909 Energy: 0.8827571627477359 Energy: 0.8975203664000154 Energy: 0.8827571627477359 Energy: 0.8975203664000154 Energy: 0.8827571627477359 Energy: 0.8975203664000154 Energy: 0.9499796604417543 Energy: 0.8768730032956353 Energy: 0.9499796604417543 Energy: 0.8768730032963389 Energy: 0.9499796604424579 Energy: 0.8768730032963389 Energy: 0.9458181266651012 Energy: 0.9027452021900959 Energy: 0.9458181266651012 Energy: 0.9027452021900959 Energy: 0.9458181266651012 Energy: 0.9027452021900959 Energy: 0.9035896953666791 Energy: 0.8904908471100088 Energy: 0.9035896953680862 Energy: 0.8904908471100088 Energy: 0.9035896953666791 Energy: 0.8904908471100088 Energy: 0.9209122684518628 Energy: 0.8788709689517576 Energy: 0.9209122684518628 Energy: 0.8788709689510541 Energy: 0.9209122684532699 Energy: 0.8788709689517576 Energy: 0.9002010222914432 Energy: 0.8830719499993648 Energy: 0.9002010222914432 Energy: 0.8830719499993648 Energy: 0.9002010222914432 Energy: 0.8830719499993648 Energy: 0.8768267786506476 Energy: 0.9473640901457127 Energy: 0.8768267786506476 Energy: 0.9473640901457127 Energy: 0.8768267786506476 Energy: 0.9473640901464162 Energy: 0.8909781811214705 Energy: 0.8972980187277483 Energy: 0.8909781811214705 Energy: 0.8972980187277483 Energy: 0.8909781811214705 Energy: 0.8972980187270448 Energy: 0.8868995444101492 Energy: 0.8881521438987645 Energy: 0.8868995444094456 Energy: 0.8881521438987645 Energy: 0.8868995444108527 Energy: 0.8881521438987645 Energy: 0.8807626401312947 Energy: 0.8808427118350022 Energy: 0.8807626401305911 Energy: 0.8808427118357057 Energy: 0.8807626401305911 Energy: 0.8808427118350022 Energy: 0.8466383246357095 Energy: 0.8855807229914854 Energy: 0.8466383246364132 Energy: 0.8855807229914854 Energy: 0.8466383246357095 Energy: 0.8855807229914854 Energy: 0.9679551493351174 Energy: 0.8692404797863678 Energy: 0.9679551493484856 Energy: 0.8692404797905894 Energy: 0.9679551493498927 Energy: 0.8692404797891823 Energy: 0.9369031693033519 Energy: 0.8844377125900187 Energy: 0.9369031693026484 Energy: 0.8844377125900187 Energy: 0.9369031693033519 Energy: 0.8844377125900187 Energy: 0.8862923620880544 Energy: 0.8917821372805864 Energy: 0.8862923620859436 Energy: 0.8917821372805864 Energy: 0.8862923620873508 Energy: 0.8917821372812901 Energy: 0.8876323909674129 Energy: 0.880967027722941 Energy: 0.8876323909681163 Energy: 0.880967027722941 Energy: 0.8876323909674129 Energy: 0.880967027722941 Energy: 0.8857432455451105 Energy: 0.8963366155749796 Energy: 0.8857432455415927 Energy: 0.8963366155749796 Energy: 0.8857432455437033 Energy: 0.8963366155749796 Energy: 0.8841187209821741 Energy: 0.9491669223280539 Energy: 0.884118720980767 Energy: 0.9491669223280539 Energy: 0.8841187209821741 Energy: 0.9491669223280539 minimum gb energy = 0.8466383246357095 eV minimum distance = 2.32635207779158 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.887289245211067 Energy: 0.8867816155504619 Energy: 0.8872892452152906 Energy: 0.8867816155504619 Energy: 0.8872892452146833 Energy: 0.8867816155504619 Energy: 0.8684795857153739 Energy: 0.8623099015063062 Energy: 0.8684795857153739 Energy: 0.8623099015063062 Energy: 0.8684795857147665 Energy: 0.862309901505699 Energy: 0.8776844044409223 Energy: 0.8432692716093786 Energy: 0.8776844044415297 Energy: 0.8432692716093786 Energy: 0.8776844044415297 Energy: 0.8432692716087713 Energy: 0.8574861018516114 Energy: 0.8615396688893942 Energy: 0.8574861018510044 Energy: 0.8615396688887869 Energy: 0.857486101850397 Energy: 0.8615396688887869 Energy: 0.8716404275737919 Energy: 0.8754915771466173 Energy: 0.8716404275737919 Energy: 0.8754915771466173 Energy: 0.8716404275743993 Energy: 0.8754915771466173 Energy: 0.8608076373300898 Energy: 0.8650313165655503 Energy: 0.8608076373294827 Energy: 0.8650313165655503 Energy: 0.8608076373300898 Energy: 0.8650313165655503 Energy: 0.8426517325800386 Energy: 0.8840280951200858 Energy: 0.842651732580646 Energy: 0.8840280951194787 Energy: 0.8426517325794315 Energy: 0.8840280951200858 Energy: 0.8621880198997641 Energy: 0.8931677230981284 Energy: 0.8621880199003713 Energy: 0.8931677230981284 Energy: 0.8621880198991567 Energy: 0.8931677230987356 Energy: 0.8938195481977176 Energy: 0.8468317173982537 Energy: 0.8938195481977176 Energy: 0.8468317173982537 Energy: 0.8938195481971102 Energy: 0.8468317173982537 Energy: 0.8764494292306906 Energy: 0.8625134860215529 Energy: 0.8764494292319053 Energy: 0.8625134860215529 Energy: 0.8764494292312979 Energy: 0.8625134860215529 Energy: 0.856010583302069 Energy: 0.894735392138153 Energy: 0.856010583302069 Energy: 0.8947353921375457 Energy: 0.856010583302069 Energy: 0.8947353921375457 Energy: 0.8741583129222041 Energy: 0.8463237387352517 Energy: 0.8741583129228113 Energy: 0.8463237387364664 Energy: 0.8741583129222041 Energy: 0.846323738735859 Energy: 0.867229012424747 Energy: 0.8642049850372446 Energy: 0.867229012424747 Energy: 0.8642049850378519 Energy: 0.8672290124253543 Energy: 0.8642049850378519 Energy: 0.8616399270948065 Energy: 0.8614349189574503 Energy: 0.8616399270935919 Energy: 0.8614349189574503 Energy: 0.8616399270948065 Energy: 0.8614349189574503 Energy: 0.8851040481063618 Energy: 0.8467488469910248 Energy: 0.8851040481057543 Energy: 0.8467488469904175 Energy: 0.8851040481069691 Energy: 0.8467488469910248 Energy: 0.882955160656363 Energy: 0.8429715567947645 Energy: 0.8829551606545409 Energy: 0.8429715567941573 Energy: 0.882955160656363 Energy: 0.8429715567941573 Energy: 0.8565972283807116 Energy: 0.8691668628180748 Energy: 0.8565972283801043 Energy: 0.8691668628180748 Energy: 0.856597228381319 Energy: 0.8691668628180748 Energy: 0.8830395054254954 Energy: 0.8822458503072034 Energy: 0.8830395054261027 Energy: 0.8822458503072034 Energy: 0.883039505424888 Energy: 0.8822458503072034 Energy: 0.8675745375152871 Energy: 0.8661288555918646 Energy: 0.8675745375158945 Energy: 0.8661288555918646 Energy: 0.8675745375152871 Energy: 0.8661288555918646 Energy: 0.8544094262504481 Energy: 0.8790761242589239 Energy: 0.8544094262516628 Energy: 0.8790761242589239 Energy: 0.8544094262504481 Energy: 0.8790761242589239 Energy: 0.8461141813833356 Energy: 0.892643157708933 Energy: 0.8461141813827283 Energy: 0.892643157708933 Energy: 0.8461141813827283 Energy: 0.8926431577095405 Energy: 0.9003139001270295 Energy: 0.8476882633697751 Energy: 0.9003139001258147 Energy: 0.8476882633697751 Energy: 0.9003139001252075 Energy: 0.8476882633697751 Energy: 0.893850699920397 Energy: 0.8682824997404354 Energy: 0.893850699920397 Energy: 0.8682824997404354 Energy: 0.893850699920397 Energy: 0.8682824997404354 Energy: 0.8843251948319593 Energy: 0.8903174561900338 Energy: 0.884325194831352 Energy: 0.8903174561900338 Energy: 0.8843251948319593 Energy: 0.8903174561894264 Energy: 0.8717173964801871 Energy: 0.8516717370921745 Energy: 0.87171739647958 Energy: 0.8516717370921745 Energy: 0.8717173964801871 Energy: 0.8516717370921745 Energy: 0.8746040200872783 Energy: 0.8571636174449184 Energy: 0.8746040200860637 Energy: 0.8571636174449184 Energy: 0.874604020086671 Energy: 0.857163617444311 Energy: 0.8487744939881064 Energy: 0.8720697538776608 Energy: 0.8487744939881064 Energy: 0.8720697538776608 Energy: 0.8487744939881064 Energy: 0.8720697538776608 Energy: 0.8901441940145279 Energy: 0.8639177873005945 Energy: 0.8901441940145279 Energy: 0.8639177873005945 Energy: 0.8901441940145279 Energy: 0.8639177873005945 Energy: 0.8729382428202462 Energy: 0.8621816172429919 Energy: 0.8729382428196387 Energy: 0.8621816172429919 Energy: 0.8729382428196387 Energy: 0.8621816172429919 minimum gb energy = 0.8426517325794315 eV minimum distance = 2.31141160219378 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8341015994185489 Energy: 0.8592801832367498 Energy: 0.834101599417481 Energy: 0.8592801832362161 Energy: 0.8341015994185489 Energy: 0.8592801832367498 Energy: 0.8673192840075505 Energy: 0.8236863052151563 Energy: 0.8673192840054151 Energy: 0.8236863052151563 Energy: 0.8673192840080601 Energy: 0.8236863052151563 Energy: 0.8455418041222317 Energy: 0.8071259525908047 Energy: 0.8455418041227655 Energy: 0.8071259525908047 Energy: 0.8455418041222317 Energy: 0.8071259525908047 Energy: 0.7944712077969284 Energy: 0.8484115933270406 Energy: 0.7944712077974622 Energy: 0.8484115933281083 Energy: 0.7944712077974622 Energy: 0.8484115933270406 Energy: 0.8309772395532308 Energy: 0.8254321446562783 Energy: 0.8309772395526971 Energy: 0.8254321446557447 Energy: 0.8309772395537648 Energy: 0.8254321446557447 Energy: 0.8421402269670029 Energy: 0.8067975162145101 Energy: 0.8421402269664691 Energy: 0.8067975162145101 Energy: 0.8421402269664691 Energy: 0.8067975162145101 Energy: 0.8226892044584433 Energy: 0.8538591442305656 Energy: 0.8226892044589773 Energy: 0.8538591442300316 Energy: 0.8226892044579096 Energy: 0.8538591442300316 Energy: 0.7979217757524661 Energy: 0.8830532259043816 Energy: 0.7979217757524661 Energy: 0.8830532259038476 Energy: 0.7979217757524661 Energy: 0.851391174523685 Energy: 0.8381247727916042 Energy: 0.8092782783320768 Energy: 0.8381247727921383 Energy: 0.8092782783320768 Energy: 0.8381247727921383 Energy: 0.809278278331543 Energy: 0.8313525104071728 Energy: 0.8454234789576482 Energy: 0.8313525104077067 Energy: 0.8454234789571143 Energy: 0.831352510406639 Energy: 0.8454234789571143 Energy: 0.7968433147191205 Energy: 0.9437364982753836 Energy: 0.7968433147196543 Energy: 0.9437364982753836 Energy: 0.7968433147191205 Energy: 0.9437364982759177 Energy: 0.8846617123421506 Energy: 0.8235738882901775 Energy: 0.8846617123432186 Energy: 0.8235738882901775 Energy: 0.8846617123421506 Energy: 0.8235738882901775 Energy: 0.8343022425584236 Energy: 0.8064267324864658 Energy: 0.8343022425594914 Energy: 0.8064267324864658 Energy: 0.8343022425589575 Energy: 0.8064267324864658 Energy: 0.8375513472915168 Energy: 0.8911570564722903 Energy: 0.8375513472915168 Energy: 0.8661299260473486 Energy: 0.8375513472915168 Energy: 0.8661299260473486 Energy: 0.8660942286776411 Energy: 0.8296074998391135 Energy: 0.8660942286771072 Energy: 0.8296074998391135 Energy: 0.8660942286781749 Energy: 0.8296074998396475 Energy: 0.8411127901101354 Energy: 0.8064494278555263 Energy: 0.8411127901101354 Energy: 0.8064494278555263 Energy: 0.8411127901106692 Energy: 0.8064494278555263 Energy: 0.7952596144517297 Energy: 0.8644218264476303 Energy: 0.7952596144517297 Energy: 0.8644218264476303 Energy: 0.795259614450662 Energy: 0.8644218264476303 Energy: 0.797261448295749 Energy: 0.8409656693045917 Energy: 0.7972614482941472 Energy: 0.8409656693045917 Energy: 0.797261448295749 Energy: 0.8409656693045917 Energy: 0.8354150159900013 Energy: 0.8092814465454747 Energy: 0.8354150159900013 Energy: 0.8092814465454747 Energy: 0.8354150159900013 Energy: 0.809281446544407 Energy: 0.8250354527193472 Energy: 0.8465856197076477 Energy: 0.8250354527204149 Energy: 0.8465856197076477 Energy: 0.8250354527198809 Energy: 0.8465856197071138 Energy: 0.7963570144998305 Energy: 0.9367725141406424 Energy: 0.7963570145019663 Energy: 0.9367725141406424 Energy: 0.7963570144998305 Energy: 0.9367725141406424 Energy: 0.8768967085289122 Energy: 0.8041295972530218 Energy: 0.8768967085289122 Energy: 0.8041295972530218 Energy: 0.8768967085283782 Energy: 0.8041295972530218 Energy: 0.8756432983524155 Energy: 0.8063508722787502 Energy: 0.8756432983524155 Energy: 0.8063508722787502 Energy: 0.8756432983518816 Energy: 0.8063508722782164 Energy: 0.7949794568053921 Energy: 0.8680471649133726 Energy: 0.7949794568064598 Energy: 0.8680471649133726 Energy: 0.7949794568043241 Energy: 0.8680471649133726 Energy: 0.8767798757965575 Energy: 0.8290510830462864 Energy: 0.8767798757954898 Energy: 0.8290510830462864 Energy: 0.8767798757965575 Energy: 0.8290510830462864 Energy: 0.836823874478316 Energy: 0.806229437209061 Energy: 0.8368238744777821 Energy: 0.806229437209061 Energy: 0.8368238744788498 Energy: 0.806229437209061 Energy: 0.8334185540616649 Energy: 0.858576428356339 Energy: 0.8334185540616649 Energy: 0.858576428356873 Energy: 0.8334185540616649 Energy: 0.858576428356873 Energy: 0.8536119258689524 Energy: 0.8526174185317356 Energy: 0.8536119258678847 Energy: 0.8526174185322696 Energy: 0.8536119258678847 Energy: 0.8526174185322696 Energy: 0.8655990199170106 Energy: 0.8153189059655969 Energy: 0.8655990199170106 Energy: 0.8153189059655969 Energy: 0.8655990199175446 Energy: 0.8153189059655969 Energy: 0.7965419731975548 Energy: 0.8524849815130321 Energy: 0.7965419731970209 Energy: 0.8524849815119644 Energy: 0.7965419731975548 Energy: 0.8524849815108967 Energy: 0.7961957007943545 Energy: 0.8411215646570431 Energy: 0.7961957007938208 Energy: 0.8411215646575768 Energy: 0.7961957007943545 Energy: 0.8411215646570431 Energy: 0.8769758845028762 Energy: 0.8044825379950372 Energy: 0.8769758845012745 Energy: 0.8044825379950372 Energy: 0.8769758845023422 Energy: 0.8044825379950372 Energy: 0.872597557075803 Energy: 0.8080523836975905 Energy: 0.8725975570763368 Energy: 0.8080523836975905 Energy: 0.8725975570763368 Energy: 0.8080523836975905 minimum gb energy = 0.7944712077969284 eV minimum distance = 2.32829500024414 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015420733163004864 Energy: 0.5857278281023119 Energy: 0.015420733163004864 Energy: 0.5857278281023119 Energy: 0.015420733163004864 Energy: 0.5857278281027557 Energy: 0.016005228681445653 Energy: 0.207795511026547 Energy: 0.016005228681445653 Energy: 0.207795511026547 Energy: 0.016005228681026724 Energy: 0.207795511026547 Energy: 0.5853682266512934 Energy: 0.20787194494718317 Energy: 0.5853715051634654 Energy: 0.20787194523634517 Energy: 0.5853690614084275 Energy: 0.2078719450633507 Energy: 0.016005228682308165 Energy: 0.207795511026547 Energy: 0.016005228682308165 Energy: 0.207795511026547 Energy: 0.016005228682308165 Energy: 0.207795511026547 minimum gb energy = 0.015420733163004864 eV minimum distance = 2.54100643479153 Angstroms sigma value = 1