Model name: model_name=EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 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=3.5878697186708446 cohesive_energy=3.5216930147876497 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: -5.69299980837746e-26 eV ======================================== theta = 0.0 ======================================== Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.7702435151629284 Energy: 0.9263400785248824 Energy: 0.7702435151629284 Energy: 0.7903514802057018 Energy: 0.7702435151629284 Energy: 0.7903514802060202 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.7702435151629284 Energy: 0.7903514802057018 Energy: 0.7702435151629284 Energy: 0.7903514802057018 Energy: 0.7702435151629284 Energy: 0.7903514802057018 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.013828118289073345 Energy: 0.7702435151629284 Energy: 0.7702435151629284 Energy: 0.7903514802060202 Energy: 0.7702435151629284 Energy: 0.7903514802060202 Energy: 0.7702435151629284 Energy: 0.7903514802060202 minimum gb energy = 0.013828118289073345 eV minimum distance = 2.38702019827412 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9473660119306963 Energy: 0.8954602242707874 Energy: 0.9473660119306963 Energy: 0.8954602242707874 Energy: 0.9473660119306963 Energy: 0.8954602242707874 Energy: 1.0264531498205989 Energy: 0.8329315456186087 Energy: 1.0264531498205989 Energy: 0.8329315456186087 Energy: 1.0264531498205989 Energy: 0.8329315456186087 Energy: 0.8940117789839012 Energy: 0.944674251481839 Energy: 0.8940117789839012 Energy: 0.944674251481839 Energy: 0.8940117789839012 Energy: 0.944674251481839 Energy: 0.997496648910425 Energy: 0.8771841389634568 Energy: 0.997496648910425 Energy: 0.8771841389634568 Energy: 0.997496648910425 Energy: 0.8771841389634568 Energy: 0.9043415708365204 Energy: 0.9512010737582219 Energy: 0.9043415708365204 Energy: 0.9512010737582219 Energy: 0.9043415708365204 Energy: 0.9512010737582219 Energy: 0.9484670525276354 Energy: 0.852263737020257 Energy: 0.9484670525276354 Energy: 0.852263737020257 Energy: 0.9484670525276354 Energy: 0.852263737020257 Energy: 0.8992465642036972 Energy: 0.9318895258516148 Energy: 0.8992465642036972 Energy: 0.9318895258516148 Energy: 0.8992465642036972 Energy: 0.9318895258516148 Energy: 0.8740022130302981 Energy: 1.0023556383451202 Energy: 0.8740022130302981 Energy: 1.0023556383451202 Energy: 0.8740022130302981 Energy: 1.0023556383451202 Energy: 0.9687404436827046 Energy: 0.9390493174260199 Energy: 0.9687404436827046 Energy: 0.9390493174260199 Energy: 0.9687404436819383 Energy: 0.9390493174260199 Energy: 0.822272368256518 Energy: 0.9917490397637854 Energy: 0.822272368256518 Energy: 0.9917490397637854 Energy: 0.822272368256518 Energy: 0.9917490397637854 Energy: 1.1070448989698525 Energy: 0.8519274153144841 Energy: 1.1070448989698525 Energy: 0.8519274153144841 Energy: 1.1070448989698525 Energy: 0.8519274153144841 Energy: 0.8068431199086633 Energy: 0.9668947373847707 Energy: 0.8068431199086633 Energy: 0.9668947373847707 Energy: 0.8068431199094297 Energy: 0.9668947373847707 Energy: 1.0357449275803992 Energy: 0.7990744871502575 Energy: 1.0357449275803992 Energy: 0.7990744871502575 Energy: 1.0357449275811652 Energy: 0.7990744871502575 Energy: 0.8647198719462068 Energy: 0.883894205575976 Energy: 0.8647198719462068 Energy: 0.883894205575976 Energy: 0.8647198719462068 Energy: 0.883894205575976 Energy: 1.0556202330859363 Energy: 0.8337849657354213 Energy: 1.0556202330859363 Energy: 0.8337849657354213 Energy: 1.0556202330859363 Energy: 0.8337849657354213 Energy: 1.0540015302302066 Energy: 0.9511456428561053 Energy: 1.0540015302302066 Energy: 0.9511456428561053 Energy: 1.0540015302302066 Energy: 0.9511456428561053 Energy: 0.923711477893745 Energy: 0.9196311626351142 Energy: 0.923711477893745 Energy: 0.9196311626351142 Energy: 0.923711477893745 Energy: 0.9196311626351142 Energy: 0.9239918031478938 Energy: 0.878808776141566 Energy: 0.9239918031478938 Energy: 0.878808776141566 Energy: 0.9239918031478938 Energy: 0.878808776141566 Energy: 0.8260755906897131 Energy: 0.8769813336223934 Energy: 0.8260755906889469 Energy: 0.8769813336223934 Energy: 0.8260755906889469 Energy: 0.8769813336223934 Energy: 0.9537430350236663 Energy: 0.8523254617452733 Energy: 0.9537430350236663 Energy: 0.8523254617460397 Energy: 0.9537430350236663 Energy: 0.8523254617452733 Energy: 0.8424343082547822 Energy: 1.006033881097533 Energy: 0.8424343082547822 Energy: 1.006033881097533 Energy: 0.8424343082547822 Energy: 1.006033881097533 Energy: 0.9554606392045587 Energy: 0.9338986134607551 Energy: 0.9554606392045587 Energy: 0.9338986134607551 Energy: 0.9554606392045587 Energy: 0.9338986134607551 Energy: 0.7917403443929585 Energy: 1.0094851545962824 Energy: 0.7917403443937249 Energy: 1.0094851545962824 Energy: 0.7917403443937249 Energy: 1.0094851545962824 minimum gb energy = 0.7917403443929585 eV minimum distance = 2.29861981925971 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.0376736492638952 Energy: 0.9950566021247521 Energy: 0.9995516696242736 Energy: 0.9950566021247521 Energy: 1.0376736492643313 Energy: 0.9950566021247521 Energy: 1.0136915604514956 Energy: 0.8826437415968552 Energy: 1.0136915604514956 Energy: 0.8826437415964192 Energy: 1.0136915604514956 Energy: 0.8826437415968552 Energy: 0.8607672100901232 Energy: 0.8837453789868744 Energy: 0.8607672100905591 Energy: 0.8837453789868744 Energy: 0.8607672100901232 Energy: 0.8837453789868744 Energy: 1.0201736656707951 Energy: 0.9691333183702158 Energy: 1.0201736656707951 Energy: 0.9691333183702158 Energy: 1.0201736656712312 Energy: 0.9691333183702158 Energy: 0.9329867343517775 Energy: 0.9208470122151619 Energy: 0.9329867343517775 Energy: 0.9208470122151619 Energy: 0.9329867343517775 Energy: 0.920847012214726 Energy: 0.8826332024259796 Energy: 0.8597128366662954 Energy: 0.8826332024259796 Energy: 0.8597128366667314 Energy: 0.8826332024259796 Energy: 0.8597128366662954 Energy: 1.0022435404362062 Energy: 0.9474563965037575 Energy: 1.0022435404362062 Energy: 0.9474563965037575 Energy: 1.0022435404362062 Energy: 0.9474563965037575 Energy: 0.8081808924714972 Energy: 1.0377769528140708 Energy: 0.8081808924714972 Energy: 1.0377769528140708 Energy: 0.8081808924714972 Energy: 1.0377769528145069 Energy: 0.8457087993082899 Energy: 0.8615590171318588 Energy: 0.8457087993082899 Energy: 0.8615590171318588 Energy: 0.8457087993082899 Energy: 0.8615590171318588 Energy: 0.8453665724891811 Energy: 1.047331191976871 Energy: 0.8453689779408556 Energy: 1.047331191976871 Energy: 0.8453665724891811 Energy: 1.047331191977307 Energy: 0.9281999898258815 Energy: 0.8462645757241087 Energy: 0.9281904884140589 Energy: 0.8462645757236728 Energy: 0.9281703198658734 Energy: 0.8462645757241087 Energy: 0.860177447694082 Energy: 0.9123947100660372 Energy: 0.860177208297108 Energy: 0.9123947100656015 Energy: 0.8601774476936462 Energy: 0.9123947100656015 Energy: 1.0243692577172503 Energy: 0.839058992698844 Energy: 1.0243598477259852 Energy: 0.839058992698844 Energy: 1.0243692577172503 Energy: 0.839058992698844 Energy: 1.0329985288286836 Energy: 0.8118796292572235 Energy: 1.0329996868877445 Energy: 0.811879540257886 Energy: 1.0329985288286836 Energy: 0.8118797145073153 Energy: 0.9484453515015909 Energy: 0.8857581682713863 Energy: 0.9484453515015909 Energy: 0.8857581682713863 Energy: 0.948445351502027 Energy: 0.8857581682713863 Energy: 0.8600165660063512 Energy: 0.8858930090500547 Energy: 0.8600165660063512 Energy: 0.8858930090500547 Energy: 0.8600165660059154 Energy: 0.8858930090500547 Energy: 1.0300928850714768 Energy: 0.9696148956220993 Energy: 1.0300928850714768 Energy: 0.9696148956220993 Energy: 1.0300928850714768 Energy: 0.9696148956220993 Energy: 0.9330467833687558 Energy: 0.8595566385082575 Energy: 0.9330467833687558 Energy: 0.8595566385082575 Energy: 0.9330467833691918 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0.8596655462706436 Energy: 0.9329290295006362 Energy: 0.8596656260600715 Energy: 0.9329290295006362 Energy: 0.9020549861639813 Energy: 0.8836970230925949 Energy: 0.9020606729785149 Energy: 0.8836970230925949 Energy: 0.9020549861639813 Energy: 0.8836970230921589 Energy: 1.0324221826392541 Energy: 1.0203545757656964 Energy: 1.0324230691258214 Energy: 1.0203545757652603 Energy: 1.0324221826396902 Energy: 1.0203545757656964 Energy: 1.0387673003442635 Energy: 0.8308856390756975 Energy: 1.0387673003446989 Energy: 0.8308856390761333 Energy: 1.0387673003446989 Energy: 0.8308856390756975 Energy: 0.8601135601303811 Energy: 0.8423094620623734 Energy: 0.8601135601303811 Energy: 0.8423094620619375 Energy: 0.8601135601299451 Energy: 0.8423094620619375 minimum gb energy = 0.8062540654261172 eV minimum distance = 2.3882991029117 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.9292874247122168 Energy: 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0.8870844647399566 Energy: 0.9954455991854733 Energy: 0.8870844647399566 Energy: 0.8935103169568185 Energy: 0.8703444702767277 Energy: 0.8935103169568185 Energy: 0.8703444702767277 Energy: 0.8935103169568185 Energy: 0.8703444702767277 Energy: 0.9276751604321481 Energy: 0.9344984190554141 Energy: 0.9276751604321481 Energy: 0.9344984190554141 Energy: 0.9276751604321481 Energy: 0.9344984190554141 Energy: 0.9406231942089585 Energy: 0.9024297632570649 Energy: 0.9406231942089585 Energy: 0.9024297632570649 Energy: 0.9406231942089585 Energy: 0.9024297632570649 Energy: 0.9425583935882125 Energy: 0.9738718454148172 Energy: 0.9425583935882125 Energy: 0.9738718454148172 Energy: 0.9425583935882125 Energy: 0.9738718454148172 Energy: 0.9281310279957997 Energy: 0.9067318598884512 Energy: 0.9281310279957997 Energy: 0.9067318598884512 Energy: 0.9281310279947897 Energy: 0.9067318598884512 minimum gb energy = 0.8186415633435331 eV minimum distance = 2.29281330872304 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.7769102635330237 Energy: 0.7944383146665067 Energy: 0.8651188761064333 Energy: 0.9366578174406042 Energy: 0.8651188761070324 Energy: 0.9366578174406042 Energy: 0.8651188761070324 Energy: 0.9366578174400051 Energy: 0.7508290769472197 Energy: 0.9340222552084981 Energy: 0.7508290769478188 Energy: 0.9340222552090972 Energy: 0.7508290769478188 Energy: 0.9340222552084981 Energy: 0.8142195446084444 Energy: 0.7507565068460906 Energy: 0.8142195446084444 Energy: 0.7507565068460906 Energy: 0.8142195446078455 Energy: 0.7507565068460906 Energy: 0.7689696223105866 Energy: 0.7748034646899944 Energy: 0.7689696223105866 Energy: 0.7748034646893954 Energy: 0.7689696223105866 Energy: 0.7748034646899944 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.7689153553795124 Energy: 0.774766716675727 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.8651188761070324 Energy: 0.9366578174406042 Energy: 0.8651188761070324 Energy: 0.9366578174406042 Energy: 0.8651188761070324 Energy: 0.9366578174406042 Energy: 0.7508290769478188 Energy: 0.9340222552090972 Energy: 0.7508290769478188 Energy: 0.9340222552084981 Energy: 0.7508290769478188 Energy: 0.9340222552084981 Energy: 0.8142195446084444 Energy: 0.7507565068460906 Energy: 0.8142195446084444 Energy: 0.7507565068460906 Energy: 0.8142195446084444 Energy: 0.7507565068466897 Energy: 0.7689696223105866 Energy: 0.7748034646899944 Energy: 0.7689696223105866 Energy: 0.7748034646893954 Energy: 0.7689696223105866 Energy: 0.7748034646893954 Energy: 0.7689153553795124 Energy: 0.774766716675727 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.8648670220323954 Energy: 0.9366535435414047 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.8648670220323954 Energy: 0.9366535435414047 Energy: 0.7769102635330237 Energy: 0.7944383146665067 Energy: 0.7769102635330237 Energy: 0.7944383146665067 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.8651188761070324 Energy: 0.9366578174406042 Energy: 0.8651188761064333 Energy: 0.9366578174406042 Energy: 0.8651188761064333 Energy: 0.9366578174400051 Energy: 0.7508290769478188 Energy: 0.9340222552090972 Energy: 0.7508290769478188 Energy: 0.9340222552084981 Energy: 0.7508290769478188 Energy: 0.9340222552084981 Energy: 0.8142195446084444 Energy: 0.7507565068460906 Energy: 0.8142195446084444 Energy: 0.7507565068466897 Energy: 0.8142195446084444 Energy: 0.7507565068466897 Energy: 0.7689696223105866 Energy: 0.7748034646899944 Energy: 0.7689696223105866 Energy: 0.7748034646899944 Energy: 0.7689696223105866 Energy: 0.7748034646893954 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.7689153553789132 Energy: 0.774766716675727 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.8141937412589698 Energy: 0.7507419700874687 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.7507937298561395 Energy: 0.934150275840863 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.8648670220317963 Energy: 0.9366535435414047 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.7769102635330237 Energy: 0.7944383146659079 Energy: 0.8651188761064333 Energy: 0.9366578174406042 Energy: 0.8651188761064333 Energy: 0.9366578174406042 Energy: 0.8651188761070324 Energy: 0.9366578174400051 Energy: 0.7508290769472197 Energy: 0.9340222552090972 Energy: 0.7508290769478188 Energy: 0.9340222552084981 Energy: 0.7508290769478188 Energy: 0.9340222552090972 minimum gb energy = 0.7507419700874687 eV minimum distance = 2.30604731422071 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7631117873534936 Energy: 0.7425849144572394 Energy: 0.7631117873534936 Energy: 0.7425849144572394 Energy: 0.7631117873534936 Energy: 0.7425849144572394 Energy: 0.8754371828398144 Energy: 0.7677070053107332 Energy: 0.8754371828398144 Energy: 0.7677070053107332 Energy: 0.8754371828398144 Energy: 0.7677070053107332 Energy: 0.772861893594418 Energy: 0.8482851442368166 Energy: 0.772861893594418 Energy: 0.8482851442368166 Energy: 0.772861893594418 Energy: 0.8482851442368166 Energy: 0.8585320066349404 Energy: 0.721660382392157 Energy: 0.8585320066349404 Energy: 0.721660382392157 Energy: 0.8585320066349404 Energy: 0.721660382392157 Energy: 0.8555877949249756 Energy: 0.7218009036780916 Energy: 0.8555877949249756 Energy: 0.7218009036780916 Energy: 0.8555877949249756 Energy: 0.7218009036780916 Energy: 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0.8228327215234109 Energy: 0.8999179933035707 Energy: 0.8228327215234109 Energy: 0.8999179933035707 Energy: 0.8228327215234109 minimum gb energy = 0.721660382392157 eV minimum distance = 2.28550635842384 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7569903396001871 Energy: 0.7299860871214163 Energy: 0.7569903396005995 Energy: 0.7299860871214163 Energy: 0.7569903396005995 Energy: 0.7299860871214163 Energy: 0.7224437686641046 Energy: 0.7575814332334516 Energy: 0.722443768664517 Energy: 0.7039756757886908 Energy: 0.72244376866328 Energy: 0.7039756757886908 Energy: 0.6696923520714775 Energy: 0.7386413791985725 Energy: 0.6696923520714775 Energy: 0.7386413791985725 Energy: 0.6696923520714775 Energy: 0.7386413791985725 Energy: 0.6862262229723769 Energy: 0.659250929125257 Energy: 0.6862262229723769 Energy: 0.659250929125257 Energy: 0.6862262229723769 Energy: 0.659250929125257 Energy: 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Energy: 0.40634540529971497 Energy: 0.3393837558781901 Energy: 0.3290494136057718 Energy: 0.3393837558781901 Energy: 0.3290494136057718 Energy: 0.3393837558781901 Energy: 0.3290494136057718 Energy: 0.4105367872716379 Energy: 0.41663702639993344 Energy: 0.4105367872716379 Energy: 0.41663702639993344 Energy: 0.4105367872716379 Energy: 0.4166370263990375 Energy: 0.32922413156281055 Energy: 0.36740057267071335 Energy: 0.32922413156187197 Energy: 0.36740057267071335 Energy: 0.32922413156281055 Energy: 0.36740057267071335 Energy: 0.3292317167665937 Energy: 0.3676917310915704 Energy: 0.3292317167665937 Energy: 0.3676917310915704 Energy: 0.3292317167665937 Energy: 0.3676917310915704 Energy: 0.41052425532331055 Energy: 0.41658235768454155 Energy: 0.41052425532331055 Energy: 0.41658235768454155 Energy: 0.41052425532331055 Energy: 0.41658235768454155 Energy: 0.33939580377944817 Energy: 0.3290232279296457 Energy: 0.33939580377944817 Energy: 0.3290232279305843 Energy: 0.33939580377944817 Energy: 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Energy: 0.5832947010375361 Energy: 0.7218395845214752 Energy: 0.7252889397627593 Energy: 0.6199044852082315 Energy: 0.7252889397634469 Energy: 0.6199044852082315 Energy: 0.7252889397627593 Energy: 0.6199044852082315 Energy: 0.7301341113282527 Energy: 0.8155246049637868 Energy: 0.7301341113282527 Energy: 0.8155246049637868 Energy: 0.7301341113282527 Energy: 0.8155246049637868 Energy: 0.7786987937805341 Energy: 0.5464443772172414 Energy: 0.7786987937805341 Energy: 0.5464443772165538 Energy: 0.7786987937805341 Energy: 0.5464443772165538 Energy: 0.6928820588463974 Energy: 0.5300171137920084 Energy: 0.6928820588457099 Energy: 0.5300171137920084 Energy: 0.6928820588463974 Energy: 0.5300171137920084 Energy: 0.6499377602988429 Energy: 0.5402725715265626 Energy: 0.6499377602988429 Energy: 0.5402725715265626 Energy: 0.6499377602988429 Energy: 0.5402725715265626 Energy: 0.5821189515962488 Energy: 0.5714732025105932 Energy: 0.5821189515955613 Energy: 0.5714732025105932 Energy: 0.5821189515955613 Energy: 0.5714732025099056 Energy: 0.7181942904739674 Energy: 0.5042679027916512 Energy: 0.7181942904739674 Energy: 0.5042679027916512 Energy: 0.7181942904739674 Energy: 0.5042679027916512 Energy: 0.7171106256978572 Energy: 0.5086986018615033 Energy: 0.7171106256978572 Energy: 0.5086986018615033 Energy: 0.7171106256978572 Energy: 0.5086986018615033 Energy: 0.5137445032791467 Energy: 0.7707054808823 Energy: 0.5137445032791467 Energy: 0.7707054808823 Energy: 0.5137445032791467 Energy: 0.7707054808816123 Energy: 0.6550079044844733 Energy: 0.6597376741153151 Energy: 0.6550079044837858 Energy: 0.6597376741153151 Energy: 0.6550079044844733 Energy: 0.6597376741153151 Energy: 0.5496565540643359 Energy: 0.5323156498300051 Energy: 0.5496565540657108 Energy: 0.5323156498300051 Energy: 0.5496565540657108 Energy: 0.5323156498300051 Energy: 0.7312482131694968 Energy: 0.5516205025312353 Energy: 0.7312482131694968 Energy: 0.5516205025312353 Energy: 0.7312482131694968 Energy: 0.5516205025312353 Energy: 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0.7330646757662937 Energy: 0.6657146543082046 Energy: 0.588529061873181 Energy: 0.6657146543082046 Energy: 0.588529061873181 Energy: 0.6657146543082046 Energy: 0.588529061872639 Energy: 0.5567964297354636 Energy: 0.7127294163239769 Energy: 0.5567964297354636 Energy: 0.7127294163239769 Energy: 0.5567964297354636 Energy: 0.7127294163239769 Energy: 0.5832706585436382 Energy: 0.6038840447947933 Energy: 0.5832706585436382 Energy: 0.6038840447947933 Energy: 0.5832706585436382 Energy: 0.6038840447947933 Energy: 0.5320838600379421 Energy: 0.5830666088558271 Energy: 0.5320838600379421 Energy: 0.5830666088558271 Energy: 0.5320838600379421 Energy: 0.583066608856369 minimum gb energy = 0.5314391627316496 eV minimum distance = 2.37398415695491 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.7134134533251479 Energy: 0.6453201761350076 Energy: 0.6751557465191134 Energy: 0.6453201761350076 Energy: 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0.6236005996898389 Energy: 0.642420940310751 Energy: 0.6524140448015502 Energy: 0.6424201388876245 Energy: 0.6524140448015502 Energy: 0.642420940310751 Energy: 0.6524140448007897 Energy: 0.6416415780672772 Energy: 0.602640200167132 Energy: 0.6416415780672772 Energy: 0.602640200167132 Energy: 0.6416415780672772 Energy: 0.602640200167132 Energy: 0.6138689212203942 Energy: 0.6711763196121868 Energy: 0.6138689212203942 Energy: 0.6711763196125672 Energy: 0.6138689212203942 Energy: 0.6711763196121868 minimum gb energy = 0.5976863821283034 eV minimum distance = 2.36394098614898 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.7156808371960656 Energy: 0.6463096994564903 Energy: 0.7156808371960656 Energy: 0.6463096994562303 Energy: 0.7156808371958057 Energy: 0.6463096994562303 Energy: 0.675276827885467 Energy: 0.5878076693041622 Energy: 0.6752768278857268 Energy: 0.5878076693041622 Energy: 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= 77.88488253796277 ======================================== Energy: 0.8783484712762811 Energy: 0.7620279194926349 Energy: 0.8783484712759666 Energy: 0.7620279194926349 Energy: 0.8783484712762811 Energy: 0.7620279194926349 Energy: 0.7599923256603047 Energy: 0.6966427779415509 Energy: 0.7599923256599904 Energy: 0.6966427779418655 Energy: 0.7599923256603047 Energy: 0.6966427779415509 Energy: 0.7594477135728978 Energy: 0.8508381256476337 Energy: 0.7594477135728978 Energy: 0.8508381256473194 Energy: 0.7594477135728978 Energy: 0.8508381256473194 Energy: 0.7741976879654154 Energy: 0.7176538535002878 Energy: 0.7741976879654154 Energy: 0.7176538535006651 Energy: 0.7741976879657927 Energy: 0.7176538535006651 Energy: 0.7845002057358132 Energy: 0.7855113982802493 Energy: 0.7845002057358132 Energy: 0.7855113982805638 Energy: 0.7845002057358132 Energy: 0.7855113982802493 Energy: 0.7358165785444186 Energy: 0.7454987237491169 Energy: 0.7358165785444186 Energy: 0.7454987237491169 Energy: 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Energy: 0.8001891824648479 Energy: 0.7195265423761322 Energy: 0.8001891824648479 Energy: 0.7195265423761322 Energy: 0.8001891824648479 Energy: 0.7195265423761322 Energy: 0.7602306816639244 Energy: 0.7727780775391481 Energy: 0.7602306816639244 Energy: 0.7727780775391481 Energy: 0.7602306816639244 Energy: 0.7727780775391481 Energy: 0.791243251788919 Energy: 0.7844245911761505 Energy: 0.791243251788919 Energy: 0.7844245911761505 Energy: 0.791243251788919 Energy: 0.7844245911761505 Energy: 0.6675532059974564 Energy: 0.7963104940634529 Energy: 0.6675532059968733 Energy: 0.7963104940634529 Energy: 0.6675532059968733 Energy: 0.7963104940634529 Energy: 0.8120823984583513 Energy: 0.7513255260551329 Energy: 0.8120823984583513 Energy: 0.7513255260551329 Energy: 0.8120823984583513 Energy: 0.7513255260551329 Energy: 0.7297438220199607 Energy: 0.7296267564039997 Energy: 0.7297438220199607 Energy: 0.7296267564039997 Energy: 0.7297438220199607 Energy: 0.7296267564039997 Energy: 0.8098936442949026 Energy: 0.7604715326983028 Energy: 0.8098936442949026 Energy: 0.7604715326983028 Energy: 0.8098936442949026 Energy: 0.7604715326983028 Energy: 0.7528765731764154 Energy: 0.6907159969424475 Energy: 0.7528765731769984 Energy: 0.6907159969424475 Energy: 0.7528765731764154 Energy: 0.6907159969441968 Energy: 0.8536954800805648 Energy: 0.6863211736769163 Energy: 0.8536954800805648 Energy: 0.6863211736769163 Energy: 0.8536954800805648 Energy: 0.6863211736769163 Energy: 0.7297998615252144 Energy: 0.7722866109363274 Energy: 0.7297998615252144 Energy: 0.7722866109363274 Energy: 0.7297998615257973 Energy: 0.7722866109363274 Energy: 0.773465199074603 Energy: 0.7934848302165061 Energy: 0.7734651990740198 Energy: 0.7934848302165061 Energy: 0.7734651990740198 Energy: 0.7934848302165061 Energy: 0.7360098215108406 Energy: 0.7506298464967254 Energy: 0.7360098215108406 Energy: 0.7506298464967254 Energy: 0.7360098215108406 Energy: 0.7506298464967254 minimum gb energy = 0.6666524719865463 eV minimum distance = 2.35551239149476 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.7593662088180416 Energy: 0.6567723571071777 Energy: 0.7593662088172866 Energy: 0.6567723571071777 Energy: 0.7593662088180416 Energy: 0.6567723571071777 Energy: 0.7312640830181425 Energy: 0.6705137969762771 Energy: 0.7312640830188974 Energy: 0.6705137969762771 Energy: 0.7312640830181425 Energy: 0.6705137969762771 Energy: 0.7600585937450053 Energy: 0.8329008122021966 Energy: 0.7600585937450053 Energy: 0.8329008122029515 Energy: 0.7600585937450053 Energy: 0.8329008122021966 Energy: 0.7592960178931273 Energy: 0.7807883957703621 Energy: 0.7592960178938823 Energy: 0.7807883957703621 Energy: 0.7592960178938823 Energy: 0.7807883957703621 Energy: 0.6908254720599587 Energy: 0.7780517033200848 Energy: 0.6908254720599587 Energy: 0.7780517033200848 Energy: 0.6908254720599587 Energy: 0.7780517033200848 Energy: 0.726621914806595 Energy: 0.6707379170425363 Energy: 0.7266219148058399 Energy: 0.6707379170425363 Energy: 0.7266219148058399 Energy: 0.6707379170425363 Energy: 0.7561770331131726 Energy: 0.8324679056097536 Energy: 0.7561770331131726 Energy: 0.8324679056097536 Energy: 0.7561770331131726 Energy: 0.8324679056097536 Energy: 0.7596030283208837 Energy: 0.6587914480955237 Energy: 0.7596030283216387 Energy: 0.6587914480955237 Energy: 0.7596030283208837 Energy: 0.6587914480955237 Energy: 0.7061147501375743 Energy: 0.6612797772864177 Energy: 0.7061147501375743 Energy: 0.6612797772864177 Energy: 0.7061147501375743 Energy: 0.6612797772864177 Energy: 0.6206994590239322 Energy: 0.7412735837863375 Energy: 0.6206994590239322 Energy: 0.7412735837863375 Energy: 0.6206994590269522 Energy: 0.7412735837863375 Energy: 0.7558658435738066 Energy: 0.7863781581922524 Energy: 0.7558658435738066 Energy: 0.7863781581922524 Energy: 0.7558658435738066 Energy: 0.7863781581922524 Energy: 0.6930104274144484 Energy: 0.7760127775616472 Energy: 0.6930104274144484 Energy: 0.7760127775616472 Energy: 0.6930104274144484 Energy: 0.7760127775616472 Energy: 0.7526452206407239 Energy: 0.6617026741388525 Energy: 0.7526452206407239 Energy: 0.6617026741388525 Energy: 0.7526452206407239 Energy: 0.6617026741388525 Energy: 0.7167539614362446 Energy: 0.6734887924150467 Energy: 0.7167539614920803 Energy: 0.6734887924150467 Energy: 0.7167539613962296 Energy: 0.6734887924150467 Energy: 0.6894152012867527 Energy: 0.6661740942009081 Energy: 0.6894152012859978 Energy: 0.6661740942009081 Energy: 0.6894152012867527 Energy: 0.6661740942016631 Energy: 0.6969484406900153 Energy: 0.6571068150803481 Energy: 0.6969484406907702 Energy: 0.6571068150803481 Energy: 0.6969484406900153 Energy: 0.6571068150803481 Energy: 0.6513104887244127 Energy: 0.7306738704565555 Energy: 0.6513104887244127 Energy: 0.7306738704565555 Energy: 0.6513104887244127 Energy: 0.7306738704565555 Energy: 0.7537835563360575 Energy: 0.6648868126320133 Energy: 0.7537835563360575 Energy: 0.6648868126320133 Energy: 0.7537835563368124 Energy: 0.7442192237510321 Energy: 0.6515236328613376 Energy: 0.7306733942795367 Energy: 0.6515236328613376 Energy: 0.7306733942795367 Energy: 0.6515236328613376 Energy: 0.7306733942795367 Energy: 0.6966850799348857 Energy: 0.6571359938645783 Energy: 0.6966850799348857 Energy: 0.6571359938645783 Energy: 0.6966850799348857 Energy: 0.6571359938645783 Energy: 0.6890131503769542 Energy: 0.6660963306465084 Energy: 0.6890131503701592 Energy: 0.6660963306465084 Energy: 0.6890131503716692 Energy: 0.6660963306465084 Energy: 0.7172019329469438 Energy: 0.7561216074543733 Energy: 0.7172019329416589 Energy: 0.7561216074543733 Energy: 0.7172019329363739 Energy: 0.7561216074543733 Energy: 0.7520212333349585 Energy: 0.6616027667016007 Energy: 0.7520212333349585 Energy: 0.6616027667016007 Energy: 0.7520212333342037 Energy: 0.6616027667016007 Energy: 0.6928965601562104 Energy: 0.7759522298630199 Energy: 0.6928965601554554 Energy: 0.7759522298630199 Energy: 0.6928965601554554 Energy: 0.7759522298630199 minimum gb energy = 0.6206994590239322 eV minimum distance = 2.39096250321373 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.7020219910637224 Energy: 0.6849693351876432 Energy: 0.7020219910637224 Energy: 0.6849693351876432 Energy: 0.7020219910637224 Energy: 0.6849693351876432 Energy: 0.667274974697603 Energy: 0.6700817768102626 Energy: 0.667274974697603 Energy: 0.6700817768102626 Energy: 0.667274974697603 Energy: 0.6700817768102626 Energy: 0.7507964953140156 Energy: 0.7875123053758765 Energy: 0.7507964953140156 Energy: 0.7875123053758765 Energy: 0.7507964953140156 Energy: 0.7875123053758765 Energy: 0.6016765814619359 Energy: 0.7705532821775827 Energy: 0.6016765814619359 Energy: 0.7705532821775827 Energy: 0.6016765814619359 Energy: 0.7705532821775827 Energy: 0.6857505522388493 Energy: 0.7380319315990629 Energy: 0.6857505522388493 Energy: 0.7380319315990629 Energy: 0.6857505522388493 Energy: 0.7380319315990629 Energy: 0.7042551813308098 Energy: 0.7578111605847861 Energy: 0.7042551813308098 Energy: 0.7578111605847861 Energy: 0.7042551813308098 Energy: 0.7578111605847861 Energy: 0.7216889619416257 Energy: 0.6675564704670673 Energy: 0.7216889619416257 Energy: 0.6675564704670673 Energy: 0.7216889619416257 Energy: 0.6675564704670673 Energy: 0.6013870568354365 Energy: 0.7292758215962013 Energy: 0.6013870568354365 Energy: 0.7292758215962013 Energy: 0.6013870568354365 Energy: 0.7292758215962013 Energy: 0.7393132179251379 Energy: 0.6746323644553809 Energy: 0.7393132179251379 Energy: 0.6746323644553809 Energy: 0.7393132179251379 Energy: 0.6746323644553809 Energy: 0.7106569123351298 Energy: 0.6649761633796651 Energy: 0.7106569123351298 Energy: 0.6649761633796651 Energy: 0.7106569123351298 Energy: 0.6649761633796651 Energy: 0.6996383355545632 Energy: 0.6423666461071883 Energy: 0.6996383355545632 Energy: 0.6423666461071883 Energy: 0.6996383355545632 Energy: 0.6423666461071883 Energy: 0.6836620168396125 Energy: 0.6631244229819956 Energy: 0.6836620168396125 Energy: 0.6631244229809279 Energy: 0.6836620168396125 Energy: 0.6631244229819956 Energy: 0.6278117738040561 Energy: 0.7600366721523507 Energy: 0.6278117738040561 Energy: 0.7600366721523507 Energy: 0.6278117738040561 Energy: 0.7600366721523507 Energy: 0.7101972167120805 Energy: 0.7502474366437025 Energy: 0.7101972167120805 Energy: 0.7502474366437025 Energy: 0.7101972167120805 Energy: 0.7502474366437025 Energy: 0.7104670587478699 Energy: 0.6231147725912586 Energy: 0.7104670587478699 Energy: 0.6231147725827167 Energy: 0.7104670587478699 Energy: 0.6231147725869876 Energy: 0.7079472844951565 Energy: 0.7613768441483452 Energy: 0.7079472844951565 Energy: 0.7613768441483452 Energy: 0.7079472844951565 Energy: 0.7613768441483452 Energy: 0.7085118752773677 Energy: 0.7489152904881397 Energy: 0.7085118752773677 Energy: 0.7489152904881397 Energy: 0.7085118752773677 Energy: 0.7489152904881397 minimum gb energy = 0.6013870568354365 eV minimum distance = 2.33929826010359 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.7008255105419214 Energy: 0.6272702342339231 Energy: 0.7008255105419214 Energy: 0.6272702342339231 Energy: 0.7008255105419214 Energy: 0.6272702342339231 Energy: 0.6447541154712513 Energy: 0.6068758526507922 Energy: 0.6447541154716636 Energy: 0.6068758526507922 Energy: 0.6447541154712513 Energy: 0.6068758526507922 Energy: 0.7022019064516849 Energy: 0.6672786449758631 Energy: 0.7022019064520971 Energy: 0.6672786449758631 Energy: 0.7022019064516849 Energy: 0.6672786449758631 Energy: 0.5886076734079302 Energy: 0.6689656406803539 Energy: 0.5886076734083425 Energy: 0.6689656406807662 Energy: 0.5886076734083425 Energy: 0.6689656406803539 Energy: 0.7174599740783345 Energy: 0.6067335854213143 Energy: 0.7174599740783345 Energy: 0.6067335854209019 Energy: 0.7174599740783345 Energy: 0.6067335854209019 Energy: 0.6708502155481163 Energy: 0.643157690089449 Energy: 0.6708502155477039 Energy: 0.643157690089449 Energy: 0.6708502155477039 Energy: 0.643157690089449 Energy: 0.6416108248097534 Energy: 0.640327818623822 Energy: 0.6416108248105405 Energy: 0.640327818623822 Energy: 0.6416108248101657 Energy: 0.640327818623822 Energy: 0.6483321699068338 Energy: 0.7083642161028691 Energy: 0.6483321699068338 Energy: 0.7083642161028691 Energy: 0.6483321699072462 Energy: 0.7083642161028691 Energy: 0.6564744653541605 Energy: 0.6740313813873012 Energy: 0.6564744653541605 Energy: 0.6740313813873012 Energy: 0.6564744653537482 Energy: 0.6740313813873012 Energy: 0.6376234445551048 Energy: 0.5768305507150939 Energy: 0.6376234445546924 Energy: 0.5768305507150939 Energy: 0.6376234445551048 Energy: 0.5768305507150939 Energy: 0.5884280098920415 Energy: 0.6811111987420039 Energy: 0.5884280098920415 Energy: 0.6811111987415915 Energy: 0.5884280098920415 Energy: 0.6811111987424161 Energy: 0.7060043192818739 Energy: 0.6242158272545011 Energy: 0.7060043192818739 Energy: 0.6242158272545011 Energy: 0.7060043192818739 Energy: 0.6242158272545011 Energy: 0.6512873226088145 Energy: 0.6234076514830889 Energy: 0.651287322608402 Energy: 0.6234076514830889 Energy: 0.651287322608402 Energy: 0.6234076514830889 Energy: 0.6418165860558983 Energy: 0.6326798734728091 Energy: 0.6418165860554859 Energy: 0.6326798734723967 Energy: 0.6418165860558983 Energy: 0.6326798734723967 Energy: 0.6668011183725696 Energy: 0.6240842579559587 Energy: 0.6668011183721574 Energy: 0.6240842579571957 Energy: 0.6668011183725696 Energy: 0.6240842579571957 Energy: 0.5884565332347822 Energy: 0.6624389767245896 Energy: 0.5884565332347822 Energy: 0.6624389767245896 Energy: 0.5884565332347822 Energy: 0.6624389767241774 Energy: 0.6508385405536167 Energy: 0.6608175184371239 Energy: 0.650838540554029 Energy: 0.6608175184371239 Energy: 0.6508385405536167 Energy: 0.6608175184371239 Energy: 0.6728746437846775 Energy: 0.6639839219664554 Energy: 0.6728746437850899 Energy: 0.6639839219664554 Energy: 0.6728746437846775 Energy: 0.6639839219664554 Energy: 0.6474480010515998 Energy: 0.664087327160565 Energy: 0.6474480010511875 Energy: 0.664087327160565 Energy: 0.6474480010515998 Energy: 0.664087327160565 Energy: 0.6499462988669422 Energy: 0.6395454759956102 Energy: 0.6499462988669422 Energy: 0.6395454759956102 Energy: 0.6499462988665299 Energy: 0.6395454759956102 Energy: 0.6476067358564459 Energy: 0.6641422639714586 Energy: 0.6476067358560336 Energy: 0.6641422639714586 Energy: 0.6476067358560336 Energy: 0.6641422639714586 Energy: 0.6729382685915382 Energy: 0.663704207238189 Energy: 0.6729382685915382 Energy: 0.6637042072386014 Energy: 0.6729382685915382 Energy: 0.663704207238189 Energy: 0.6506522987338041 Energy: 0.6606672816846213 Energy: 0.6506522987342164 Energy: 0.6606672816850336 Energy: 0.6506522987338041 Energy: 0.6606672816846213 Energy: 0.5884615099369515 Energy: 0.7112150293458174 Energy: 0.5884615099369515 Energy: 0.7112150293458174 Energy: 0.5884615099369515 Energy: 0.7112150293458174 Energy: 0.6668447894440831 Energy: 0.6243679411549923 Energy: 0.6668447894440831 Energy: 0.6243679411549923 Energy: 0.6668447894440831 Energy: 0.6243679411549923 Energy: 0.6418561099668575 Energy: 0.6325148165778688 Energy: 0.6418561099668575 Energy: 0.6325148165774565 Energy: 0.6418561099668575 Energy: 0.6325148165774565 Energy: 0.6514223329182485 Energy: 0.6257452970889746 Energy: 0.6514223329186608 Energy: 0.6257452970885623 Energy: 0.6514223329186608 Energy: 0.6257452970889746 Energy: 0.706059038461057 Energy: 0.624399140146121 Energy: 0.7060590384614692 Energy: 0.624399140146121 Energy: 0.7060590384614692 Energy: 0.6243991401465333 Energy: 0.588520026007295 Energy: 0.6832016630119107 Energy: 0.5885200260077073 Energy: 0.6832016630131474 Energy: 0.5885200260077073 Energy: 0.6832016630123229 Energy: 0.6388059049844386 Energy: 0.6717037822304612 Energy: 0.6388059049844386 Energy: 0.6717037822304612 Energy: 0.6388059049844386 Energy: 0.6717037822304612 Energy: 0.6563668126212452 Energy: 0.6742056989584653 Energy: 0.6563668126212452 Energy: 0.6742056989584653 Energy: 0.6563668126212452 Energy: 0.6742056989584653 Energy: 0.6477480687822431 Energy: 0.7082373753519668 Energy: 0.6477480687822431 Energy: 0.7082373753519668 Energy: 0.6477480687822431 Energy: 0.7082373753519668 Energy: 0.6413719726732146 Energy: 0.6388594719080083 Energy: 0.6413719726735894 Energy: 0.6388594719080083 Energy: 0.6413719726735894 Energy: 0.6388594719080083 Energy: 0.6703294067298077 Energy: 0.6219761054685425 Energy: 0.6703294067298077 Energy: 0.6219761054689549 Energy: 0.6703294067298077 Energy: 0.6219761054685425 Energy: 0.7175371683230463 Energy: 0.6066284774691146 Energy: 0.7175371683226339 Energy: 0.6066284774691146 Energy: 0.7175371683226339 Energy: 0.6066284774691146 Energy: 0.5887353992930148 Energy: 0.6606173595200462 Energy: 0.5887353992930148 Energy: 0.6606173595200462 Energy: 0.5887353992930148 Energy: 0.6606173595200462 Energy: 0.7023623075388898 Energy: 0.6673637486953249 Energy: 0.7023623075388898 Energy: 0.6673637486953249 Energy: 0.7023623075388898 Energy: 0.6673637486953249 Energy: 0.6447262267487244 Energy: 0.6134455388496034 Energy: 0.644726226749549 Energy: 0.6134455388500156 Energy: 0.644726226748312 Energy: 0.6134455388500156 Energy: 0.7008255105419214 Energy: 0.6272702342339231 Energy: 0.7008255105419214 Energy: 0.6272702342335108 Energy: 0.7008255105419214 Energy: 0.6272702342335108 Energy: 0.644754115472076 Energy: 0.6068758526503799 Energy: 0.644754115472076 Energy: 0.6068758526507922 Energy: 0.644754115472076 Energy: 0.6068758526507922 Energy: 0.7022019064520971 Energy: 0.6672786449758631 Energy: 0.7022019064516849 Energy: 0.6672786449758631 Energy: 0.7022019064520971 Energy: 0.6672786449758631 Energy: 0.5886076734083425 Energy: 0.676788316755767 Energy: 0.5886076734079302 Energy: 0.676788316755767 Energy: 0.5886076734079302 Energy: 0.676788316755767 Energy: 0.7174599740783345 Energy: 0.6067335854209019 Energy: 0.7174599740783345 Energy: 0.6067335854209019 Energy: 0.7174599740783345 Energy: 0.6067335854209019 minimum gb energy = 0.5768305507150939 eV minimum distance = 2.36447638852463 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5962386165868738 Energy: 0.581025231930112 Energy: 0.5962386165875452 Energy: 0.581025231930112 Energy: 0.5962386165868738 Energy: 0.581025231930112 Energy: 0.6597603295392878 Energy: 0.573094200885346 Energy: 0.6597603295386164 Energy: 0.573094200885346 Energy: 0.6597603295386164 Energy: 0.573094200885346 Energy: 0.6598341487682949 Energy: 0.6198645928896077 Energy: 0.6868552493638179 Energy: 0.6198645928896077 Energy: 0.6598341487682949 Energy: 0.6198645928896077 Energy: 0.5572300231656044 Energy: 0.6360427738862037 Energy: 0.5572300231662757 Energy: 0.6360427738862037 Energy: 0.5572300231656044 Energy: 0.6360427738862037 Energy: 0.5812881334886347 Energy: 0.5656057962705526 Energy: 0.5812881334893061 Energy: 0.5656057962705526 Energy: 0.5812881334893061 Energy: 0.5656057962705526 Energy: 0.6312714666367586 Energy: 0.5726226460712545 Energy: 0.6312714666367586 Energy: 0.5726226460712545 Energy: 0.6312714666367586 Energy: 0.5726226460712545 Energy: 0.551843069875562 Energy: 0.6133481649633182 Energy: 0.5518430698762333 Energy: 0.613348164962647 Energy: 0.5518430698762333 Energy: 0.613348164962647 Energy: 0.7243528823303079 Energy: 0.5994257303651578 Energy: 0.7243528823303079 Energy: 0.5994257303651578 Energy: 0.7243528823303079 Energy: 0.5994257303651578 Energy: 0.5786860201535119 Energy: 0.5741171862526417 Energy: 0.5786860201535119 Energy: 0.5741171862526417 Energy: 0.5786860201535119 Energy: 0.5741171862526417 Energy: 0.5863790744108863 Energy: 0.589025283424511 Energy: 0.5863790744108863 Energy: 0.589025283424511 Energy: 0.5863790744108863 Energy: 0.5890252834251825 Energy: 0.5445132255296836 Energy: 0.7281617635784378 Energy: 0.5445132255303549 Energy: 0.7281617635784378 Energy: 0.5445132255303549 Energy: 0.7281617635784378 Energy: 0.6032436957919871 Energy: 0.5522722535395423 Energy: 0.6032436957913159 Energy: 0.5522722535395423 Energy: 0.6032436957919871 Energy: 0.5522722535402137 Energy: 0.5849859215849614 Energy: 0.6243849854990275 Energy: 0.5849859215849614 Energy: 0.6243849854983562 Energy: 0.5849859215849614 Energy: 0.6243849854990275 Energy: 0.5541950694739491 Energy: 0.6825128995030475 Energy: 0.5541950694739491 Energy: 0.6825128995030475 Energy: 0.5541950694739491 Energy: 0.6825128995030475 Energy: 0.649261363735131 Energy: 0.5834586160769457 Energy: 0.649261363735131 Energy: 0.5834586160769457 Energy: 0.649261363735131 Energy: 0.5834586160769457 Energy: 0.5841465960812363 Energy: 0.581359572143476 Energy: 0.5841465960812363 Energy: 0.5813595721428046 Energy: 0.5841465960812363 Energy: 0.5813595721428046 Energy: 0.6034672982143083 Energy: 0.659608901860014 Energy: 0.6034672982143083 Energy: 0.659608901860014 Energy: 0.6034672982143083 Energy: 0.659608901860014 Energy: 0.6193947889451542 Energy: 0.6359884203207328 Energy: 0.6193947889451542 Energy: 0.6359884203207328 Energy: 0.6193947889451542 Energy: 0.6359884203207328 Energy: 0.5630886586929204 Energy: 0.6914331353416172 Energy: 0.5630886586929204 Energy: 0.6914331353409459 Energy: 0.5630886586929204 Energy: 0.6914331353409459 Energy: 0.5579138392157708 Energy: 0.6301634390468225 Energy: 0.5579138392157708 Energy: 0.6301634390468225 Energy: 0.5579138392157708 Energy: 0.6301634390468225 Energy: 0.6166656146996214 Energy: 0.6137019700986774 Energy: 0.6166656146996214 Energy: 0.6137019700986774 Energy: 0.6166656146996214 Energy: 0.6137019700986774 Energy: 0.5444671144416202 Energy: 0.6944996638091894 Energy: 0.5444671144416202 Energy: 0.6944996638091894 Energy: 0.5444671144416202 Energy: 0.6944996638085181 Energy: 0.6016807788619448 Energy: 0.6027316481218863 Energy: 0.6016807788619448 Energy: 0.6027316481218863 Energy: 0.6016807788619448 Energy: 0.6027316481218863 Energy: 0.6057860670012098 Energy: 0.6949384715547975 Energy: 0.6057860670018812 Energy: 0.6949384715547975 Energy: 0.6057860670018812 Energy: 0.6949384715547975 Energy: 0.5970603820612651 Energy: 0.7412488650021084 Energy: 0.5970603820612651 Energy: 0.7412488650021084 Energy: 0.5970603820619365 Energy: 0.7412488650021084 Energy: 0.5839056265164357 Energy: 0.602274870062648 Energy: 0.5839056265164357 Energy: 0.602274870062648 Energy: 0.5839056265164357 Energy: 0.602274870062648 Energy: 0.5535264615314262 Energy: 0.6909072505134599 Energy: 0.5535264615314262 Energy: 0.6909072505141314 Energy: 0.5535264615314262 Energy: 0.6909072505134599 minimum gb energy = 0.5444671144416202 eV minimum distance = 2.3264808421352 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5549106392878262 Energy: 0.5215306513111038 Energy: 0.5549106392878262 Energy: 0.5215306513111038 Energy: 0.5549106392878262 Energy: 0.5215306513111038 Energy: 0.5715106664937416 Energy: 0.5289476602661106 Energy: 0.5715106664932524 Energy: 0.5289476602661106 Energy: 0.5715106664932524 Energy: 0.5289476602661106 Energy: 0.5681485563576971 Energy: 0.547234747088656 Energy: 0.5681485563576971 Energy: 0.5472347470876777 Energy: 0.5681485563576971 Energy: 0.5472347470881668 Energy: 0.5298652551690843 Energy: 0.5463420242854601 Energy: 0.5298652551695735 Energy: 0.5463420242854601 Energy: 0.5298652551690843 Energy: 0.5463420242854601 Energy: 0.5700556492634102 Energy: 0.5039158100687946 Energy: 0.5700556492634102 Energy: 0.5039158100687946 Energy: 0.5700556492638993 Energy: 0.5039158100687946 Energy: 0.5369828467800121 Energy: 0.5121905641496519 Energy: 0.5369828467800121 Energy: 0.5121905641491628 Energy: 0.5369828467800121 Energy: 0.5121905641496519 Energy: 0.4857243298503397 Energy: 0.5295261256865352 Energy: 0.4857243298503397 Energy: 0.5295261256865352 Energy: 0.4857243298503397 Energy: 0.5295261256865352 Energy: 0.6964400679684454 Energy: 0.49559490694831 Energy: 0.6964400679684454 Energy: 0.49559490694831 Energy: 0.6964400679689345 Energy: 0.49559490694831 Energy: 0.5139648926065485 Energy: 0.5053606321460133 Energy: 0.5139648926065485 Energy: 0.5053606321460133 Energy: 0.5139648926065485 Energy: 0.5053606321455241 Energy: 0.5740859910730935 Energy: 0.5038825744099249 Energy: 0.5740859910730935 Energy: 0.5038825744099249 Energy: 0.5740859910730935 Energy: 0.5038825744094357 Energy: 0.6198926405764684 Energy: 0.5547011747430435 Energy: 0.6198926405764684 Energy: 0.5547011747430435 Energy: 0.6198926405759793 Energy: 0.5547011747430435 Energy: 0.48767679667973424 Energy: 0.5068816061260729 Energy: 0.48767679667973424 Energy: 0.5068816061260729 Energy: 0.48767679667973424 Energy: 0.5068816061260729 Energy: 0.5733809702186495 Energy: 0.485260094407227 Energy: 0.5733809702186495 Energy: 0.485260094407227 Energy: 0.5733809702186495 Energy: 0.485260094407227 Energy: 0.6190416123477042 Energy: 0.5547175449315596 Energy: 0.6190416123477042 Energy: 0.5547175449315596 Energy: 0.6190416123477042 Energy: 0.5547175449315596 Energy: 0.5042406708043081 Energy: 0.5076162115123068 Energy: 0.5042406708043081 Energy: 0.5076162115123068 Energy: 0.5042406708043081 Energy: 0.5076162115123068 Energy: 0.5367464542388606 Energy: 0.5336933974524692 Energy: 0.5367464542388606 Energy: 0.5336933974519801 Energy: 0.5367464542388606 Energy: 0.5336933974519801 Energy: 0.5727420681041248 Energy: 0.6123436323419191 Energy: 0.5727420681041248 Energy: 0.6123436323419191 Energy: 0.5727420681041248 Energy: 0.6123436323419191 Energy: 0.5228256380748652 Energy: 0.5083073057514397 Energy: 0.5228256380748652 Energy: 0.5083073057509505 Energy: 0.5228256380748652 Energy: 0.508307305751929 Energy: 0.5137639688816446 Energy: 0.5631059078455813 Energy: 0.5137639688816446 Energy: 0.5631059078455813 Energy: 0.5137639688821337 Energy: 0.5631059078455813 Energy: 0.5351753604649377 Energy: 0.5564080088366482 Energy: 0.5351753604649377 Energy: 0.5564080088366482 Energy: 0.5351753604649377 Energy: 0.5564080088366482 Energy: 0.563851849874632 Energy: 0.5175473546411306 Energy: 0.563851849874632 Energy: 0.5175473546401523 Energy: 0.563851849874632 Energy: 0.517547354639174 Energy: 0.5295046190059086 Energy: 0.5663688469396961 Energy: 0.5295046190059086 Energy: 0.5663688469396961 Energy: 0.5295046190059086 Energy: 0.5663688469396961 Energy: 0.5456690692363799 Energy: 0.5655625422035905 Energy: 0.545669069236869 Energy: 0.5655625422035905 Energy: 0.545669069236869 Energy: 0.5655625422035905 Energy: 0.5927106783996593 Energy: 0.5156900767804656 Energy: 0.5927106783996593 Energy: 0.5156900767799765 Energy: 0.5927106783996593 Energy: 0.5156900767799765 Energy: 0.4871401132028576 Energy: 0.5557144365161438 Energy: 0.4871401132028576 Energy: 0.5557144365161438 Energy: 0.4871401132028576 Energy: 0.5557144365161438 Energy: 0.49950759413436274 Energy: 0.5454358849326363 Energy: 0.49950759413485196 Energy: 0.5454358849326363 Energy: 0.49950759413436274 Energy: 0.5454358849326363 Energy: 0.5404349309563979 Energy: 0.4989182419212399 Energy: 0.5404349309568871 Energy: 0.4989182419212399 Energy: 0.55223027664771 Energy: 0.4989182419212399 Energy: 0.4817044067421116 Energy: 0.5519756377556995 Energy: 0.4817044067421116 Energy: 0.5519756377556995 Energy: 0.4817044067421116 Energy: 0.5519756377556995 Energy: 0.4997864409733189 Energy: 0.512414739057436 Energy: 0.4997864409733189 Energy: 0.5124147390569467 Energy: 0.4997864409733189 Energy: 0.5124147390569467 Energy: 0.500093676812777 Energy: 0.6213078900939674 Energy: 0.500093676812777 Energy: 0.6213078900939674 Energy: 0.500093676812777 Energy: 0.6213078900939674 Energy: 0.48020492213049776 Energy: 0.5538895316128586 Energy: 0.48020492213049776 Energy: 0.5538895316138368 Energy: 0.49956253082715385 Energy: 0.5538895316133478 Energy: 0.5001831496093704 Energy: 0.4958835877625651 Energy: 0.5001831496093704 Energy: 0.4958835877625651 Energy: 0.5001831496093704 Energy: 0.4958835877625651 Energy: 0.4847798841835176 Energy: 0.5546689145746908 Energy: 0.4847798841840067 Energy: 0.5546689145746908 Energy: 0.4847798841840067 Energy: 0.5546689145746908 Energy: 0.5743840123112058 Energy: 0.622204835070968 Energy: 0.5743840123112058 Energy: 0.622204835070968 Energy: 0.5743840123112058 Energy: 0.622204835070968 Energy: 0.5007296784039005 Energy: 0.481183795842056 Energy: 0.5007296784039005 Energy: 0.481183795842056 Energy: 0.5007296784039005 Energy: 0.481183795842056 Energy: 0.4491701967216838 Energy: 0.5532796390060195 Energy: 0.4491701967216838 Energy: 0.5532796390060195 Energy: 0.4491701967216838 Energy: 0.5532796390060195 minimum gb energy = 0.4491701967216838 eV minimum distance = 2.31669088140788 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.40223254583394064 Energy: 0.015708671619183042 Energy: 0.40223254583394064 Energy: 0.015708671617385785 Energy: 0.40223254583394064 Energy: 0.015708671617385785 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.40223254583394064 Energy: 0.01570867161558853 Energy: 0.40223254583214335 Energy: 0.01570867161558853 Energy: 0.40223254583394064 Energy: 0.01570867161558853 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.40223254583394064 Energy: 0.015708671613791268 Energy: 0.40223254583394064 Energy: 0.015708671613791268 Energy: 0.40223254583394064 Energy: 0.015708671613791268 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.4022279175460445 Energy: 0.015686987454832036 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 Energy: 0.014744783221651138 Energy: 0.04623826986527153 minimum gb energy = 0.014744783221651138 eV minimum distance = 2.51337406329582 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.46557610382327447 Energy: 0.3847682173768649 Energy: 0.46557610382327447 Energy: 0.3847682173768649 Energy: 0.46557610382327447 Energy: 0.3847682173768649 Energy: 0.3954766888824949 Energy: 0.4539855694147928 Energy: 0.3954766888824949 Energy: 0.4539855694147928 Energy: 0.3954766888824949 Energy: 0.4539855694147928 Energy: 0.46739199775337376 Energy: 0.4554127472002637 Energy: 0.46739199775337376 Energy: 0.4554127472002637 Energy: 0.46739199775337376 Energy: 0.4554127472002637 Energy: 0.47450858462653633 Energy: 0.43467136721862953 Energy: 0.47450858462653633 Energy: 0.43467136721862953 Energy: 0.47450858462653633 Energy: 0.43467136721862953 Energy: 0.39678923983460573 Energy: 0.4557967829746268 Energy: 0.39678923983460573 Energy: 0.4557967829751646 Energy: 0.39678923983460573 Energy: 0.4557967829746268 Energy: 0.4686119669832093 Energy: 0.46199131067863164 Energy: 0.4686119669832093 Energy: 0.46199131067863164 Energy: 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0.45246590790137237 Energy: 0.4523096232067544 Energy: 0.4592273870072128 Energy: 0.40690369512454994 Energy: 0.4592273870072128 Energy: 0.40690369512508767 Energy: 0.4592273870072128 Energy: 0.40690369512508767 Energy: 0.4510092037327319 Energy: 0.4934279859226632 Energy: 0.4510092037327319 Energy: 0.49342798592212533 Energy: 0.4510092037327319 Energy: 0.4934279859226632 Energy: 0.4593729935926512 Energy: 0.32605732529938614 Energy: 0.45937299359318906 Energy: 0.32605732529938614 Energy: 0.45937299359318906 Energy: 0.32605732529938614 Energy: 0.4344154959813998 Energy: 0.4440229136053349 Energy: 0.4344154959813998 Energy: 0.4440229136053349 Energy: 0.4344154959813998 Energy: 0.4440229136053349 Energy: 0.45657177836836954 Energy: 0.43376860735919365 Energy: 0.45657177836836954 Energy: 0.43376860735919365 Energy: 0.45657177836836954 Energy: 0.4337686073586558 Energy: 0.4629141580536592 Energy: 0.43915503984773696 Energy: 0.4629141580536592 Energy: 0.43915503984773696 Energy: 0.4629141580536592 Energy: 0.43915503984773696 Energy: 0.4508798789311888 Energy: 0.4654679452281705 Energy: 0.4508798789311888 Energy: 0.46546794522870827 Energy: 0.45087987893172665 Energy: 0.4654679452281705 Energy: 0.4552672577579813 Energy: 0.4505979481832064 Energy: 0.45526725775851906 Energy: 0.4505979481832064 Energy: 0.4552672577579813 Energy: 0.4505979481832064 Energy: 0.5176620884180672 Energy: 0.3871383076471723 Energy: 0.5176620884180672 Energy: 0.3871383076471723 Energy: 0.5176620884180672 Energy: 0.3871383076471723 Energy: 0.46490608026115166 Energy: 0.48248771548831576 Energy: 0.46490608026115166 Energy: 0.48248771548831576 Energy: 0.46490608026115166 Energy: 0.48248771548831576 Energy: 0.44863608073283096 Energy: 0.45810930706157904 Energy: 0.44863608073283096 Energy: 0.45810930706157904 Energy: 0.44863608073283096 Energy: 0.45810930706157904 Energy: 0.5215983830399082 Energy: 0.41617969578554365 Energy: 0.5215983830399082 Energy: 0.41617969578554365 Energy: 0.5215983830399082 Energy: 0.41617969578554365 Energy: 0.47702165078162545 Energy: 0.4778846916663168 Energy: 0.47702165078162545 Energy: 0.4778846916663168 Energy: 0.47702165078162545 Energy: 0.4778846916663168 Energy: 0.42798075629717025 Energy: 0.45716729454087435 Energy: 0.42798075629717025 Energy: 0.45716729454087435 Energy: 0.42798075629717025 Energy: 0.45716729454087435 Energy: 0.4781901667434631 Energy: 0.4648655814731472 Energy: 0.4781901667434631 Energy: 0.4648655814731472 Energy: 0.4781901667434631 Energy: 0.4648655814731472 minimum gb energy = 0.32605732529938614 eV minimum distance = 2.37474108009941 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.6210016282843419 Energy: 0.5803546188227546 Energy: 0.6210016282835755 Energy: 0.5803546188227546 Energy: 0.6210016282843419 Energy: 0.5803546188227546 Energy: 0.5790272943833469 Energy: 0.5774821923944501 Energy: 0.5790272943833469 Energy: 0.5774821923952165 Energy: 0.5790272943833469 Energy: 0.5774821923944501 Energy: 0.6100299162955687 Energy: 0.5981182717613186 Energy: 0.6100299162955687 Energy: 0.5981182717613186 Energy: 0.6100299162955687 Energy: 0.5981182717613186 Energy: 0.6072154385178221 Energy: 0.5971111486726853 Energy: 0.6072154385178221 Energy: 0.5971111486726853 Energy: 0.6072154385178221 Energy: 0.5971111486726853 Energy: 0.5291092899935995 Energy: 0.5653132081737636 Energy: 0.5291092899935995 Energy: 0.5653132081737636 Energy: 0.5291092899935995 Energy: 0.5653132081737636 Energy: 0.6108448003077988 Energy: 0.5981993526648514 Energy: 0.6108448003077988 Energy: 0.5981993526648514 Energy: 0.6108448003077988 Energy: 0.5981993526648514 Energy: 0.5676273262417185 Energy: 0.572584354849311 Energy: 0.5676273262417185 Energy: 0.5725843548500773 Energy: 0.5676273262417185 Energy: 0.5725843548500773 Energy: 0.5736439187651249 Energy: 0.5567688626223554 Energy: 0.5736439187651249 Energy: 0.5567688626215891 Energy: 0.5736439187651249 Energy: 0.5567688626215891 Energy: 0.6273374321563147 Energy: 0.6350930398158084 Energy: 0.6273374321563147 Energy: 0.6350930398158084 Energy: 0.6273374321563147 Energy: 0.6350930398158084 Energy: 0.5913991263937389 Energy: 0.5394956638322348 Energy: 0.5913991263937389 Energy: 0.5394956638322348 Energy: 0.5913991263937389 Energy: 0.5394956638322348 Energy: 0.5930208511124142 Energy: 0.604016498556185 Energy: 0.5930208511124142 Energy: 0.604016498556185 Energy: 0.5930208511124142 Energy: 0.604016498556185 Energy: 0.571887207742281 Energy: 0.600630588546479 Energy: 0.571887207742281 Energy: 0.600630588546479 Energy: 0.571887207742281 Energy: 0.600630588546479 Energy: 0.5906851251794892 Energy: 0.5738999868348232 Energy: 0.5906851251794892 Energy: 0.5738999868348232 Energy: 0.5906851251794892 Energy: 0.5738999868348232 Energy: 0.5816151963566225 Energy: 0.5951548734228836 Energy: 0.5816151963566225 Energy: 0.5951548734228836 Energy: 0.5816151963566225 Energy: 0.5951548734228836 Energy: 0.5722375266968411 Energy: 0.5735129140525184 Energy: 0.5722375266968411 Energy: 0.5735129140525184 Energy: 0.5722375266968411 Energy: 0.5735129140525184 Energy: 0.6050297827262137 Energy: 0.5827391297860798 Energy: 0.6050297827262137 Energy: 0.5827391297860798 Energy: 0.6050297827262137 Energy: 0.5827391297860798 Energy: 0.6004435124363369 Energy: 0.6021423900391695 Energy: 0.6004435124363369 Energy: 0.6021423900391695 Energy: 0.6004435124363369 Energy: 0.6021423900384031 Energy: 0.5740299677785236 Energy: 0.5656518553273636 Energy: 0.5740299677785236 Energy: 0.5656518553273636 Energy: 0.5740299677785236 Energy: 0.5656518553273636 Energy: 0.5949997189981985 Energy: 0.612651428942324 Energy: 0.5949997189981985 Energy: 0.612651428942324 Energy: 0.5949997189981985 Energy: 0.612651428942324 Energy: 0.5292041844947135 Energy: 0.5993307006658943 Energy: 0.5292041844931807 Energy: 0.5993307006658943 Energy: 0.5292041844939472 Energy: 0.5993307006658943 Energy: 0.6212963509168391 Energy: 0.5751413843666867 Energy: 0.6212963509168391 Energy: 0.5751413843666867 Energy: 0.6212963509168391 Energy: 0.5751413843666867 Energy: 0.6143978630496647 Energy: 0.6359486540333928 Energy: 0.6143978630496647 Energy: 0.6359486540333928 Energy: 0.6143978630496647 Energy: 0.6359486540333928 Energy: 0.5382171232490004 Energy: 0.5994332677949797 Energy: 0.5382171232490004 Energy: 0.5994332677949797 Energy: 0.5382171232490004 Energy: 0.5994332677949797 minimum gb energy = 0.5291092899935995 eV minimum distance = 2.37615118112158 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.7047680210624738 Energy: 0.6567893089501333 Energy: 0.7047680210620318 Energy: 0.6567893089501333 Energy: 0.7047680210620318 Energy: 0.6567893089501333 Energy: 0.6577779855667756 Energy: 0.6751679696844707 Energy: 0.6577779855672617 Energy: 0.6751679696844707 Energy: 0.6577779855672617 Energy: 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0.6773757136369511 Energy: 0.7037143097452435 Energy: 0.6773757136369511 Energy: 0.7037143097452435 Energy: 0.6773757136369511 Energy: 0.7037143097452435 Energy: 0.7009713079721288 Energy: 0.666848085683844 Energy: 0.7009713079721288 Energy: 0.666848085683844 Energy: 0.7009713079721288 Energy: 0.666848085683844 Energy: 0.7007337512127627 Energy: 0.6748592981069704 Energy: 0.7007337512127627 Energy: 0.6748592981069704 Energy: 0.7007337512127627 Energy: 0.6748592981064844 Energy: 0.6573463857295588 Energy: 0.6657588000886905 Energy: 0.6573463857295588 Energy: 0.6657588000886905 Energy: 0.6573463857295588 Energy: 0.6657588000886905 Energy: 0.7000573867415731 Energy: 0.6603685115974961 Energy: 0.7000573867415731 Energy: 0.6603685115970099 Energy: 0.7000573867415731 Energy: 0.6603685115974961 Energy: 0.6621872630708721 Energy: 0.6806910416723272 Energy: 0.6621872630708721 Energy: 0.6806910416723272 Energy: 0.6621872630708721 Energy: 0.6806910416723272 Energy: 0.6790222937434794 Energy: 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0.687866280439279 Energy: 0.6972818707751969 Energy: 0.687866280439279 Energy: 0.6972818707751969 Energy: 0.6637063739457196 Energy: 0.6561828156978947 Energy: 0.6637063739457196 Energy: 0.6561828156978947 Energy: 0.6637063739457196 Energy: 0.6561828156978947 Energy: 0.6878278735887178 Energy: 0.6752769476159873 Energy: 0.6878278735887178 Energy: 0.6752769476164735 Energy: 0.6878278735887178 Energy: 0.6752769476164735 Energy: 0.6988777436599767 Energy: 0.6616479216948004 Energy: 0.6988777436599767 Energy: 0.6616479216948004 Energy: 0.6988777436599767 Energy: 0.6616479216948004 Energy: 0.6555094254789072 Energy: 0.6602967033994128 Energy: 0.6555094254789072 Energy: 0.6602967033994128 Energy: 0.6555094254789072 Energy: 0.6602967033994128 Energy: 0.6867262453433701 Energy: 0.6886211229462899 Energy: 0.6867262453433701 Energy: 0.6886211229462899 Energy: 0.6867262453433701 Energy: 0.6886211229462899 Energy: 0.6566124970016721 Energy: 0.6561181270781454 Energy: 0.6566124970016721 Energy: 0.6561181270781454 Energy: 0.6566124970016721 Energy: 0.6561181270781454 Energy: 0.6869617648494623 Energy: 0.7263099260387345 Energy: 0.6869617648499484 Energy: 0.7263099260387345 Energy: 0.6869617648499484 Energy: 0.7263099260387345 Energy: 0.6639182520852338 Energy: 0.6740591395069344 Energy: 0.6639182520852338 Energy: 0.6740591395069344 Energy: 0.6639182520852338 Energy: 0.6740591395069344 Energy: 0.6482838232571023 Energy: 0.646073782985972 Energy: 0.6482838232571023 Energy: 0.6460737829854858 Energy: 0.6482838232571023 Energy: 0.646073782985972 Energy: 0.7308417423199824 Energy: 0.7235145819781054 Energy: 0.7308417423199824 Energy: 0.7235145819781054 Energy: 0.7308417423199824 Energy: 0.7235145819781054 Energy: 0.6769092868500576 Energy: 0.6776440572767422 Energy: 0.6769092868500576 Energy: 0.6776440572767422 Energy: 0.6769092868500576 Energy: 0.6776440572767422 Energy: 0.6916571677086698 Energy: 0.6940084850099566 Energy: 0.6916571677086698 Energy: 0.6940084850099566 Energy: 0.6916571677086698 Energy: 0.6940084850099566 Energy: 0.675394243114848 Energy: 0.6710090049475351 Energy: 0.675394243114848 Energy: 0.6710090049475351 Energy: 0.675394243114848 Energy: 0.6710090049475351 Energy: 0.6607240540506194 Energy: 0.6785478600749616 Energy: 0.6607240540506194 Energy: 0.6785478600749616 Energy: 0.6607240540506194 Energy: 0.6785478600749616 Energy: 0.6927116268609019 Energy: 0.6589743367063017 Energy: 0.6927116268609019 Energy: 0.6589743367067878 Energy: 0.6927116268609019 Energy: 0.6589743367067878 Energy: 0.6593068562261586 Energy: 0.668552229415925 Energy: 0.6593068562261586 Energy: 0.668552229415925 Energy: 0.6593068562261586 Energy: 0.668552229415925 minimum gb energy = 0.6291449905611564 eV minimum distance = 2.35389626080427 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8273918813028756 Energy: 0.805269919133784 Energy: 0.8273918813028756 Energy: 0.805269919133784 Energy: 0.8273918813028756 Energy: 0.805269919133784 Energy: 0.7824372112768183 Energy: 0.801726678498698 Energy: 0.7824372112768183 Energy: 0.801726678498698 Energy: 0.7824372112768183 Energy: 0.801726678498698 Energy: 0.887128518513466 Energy: 0.7985400913858237 Energy: 0.901556724817125 Energy: 0.7985400913858237 Energy: 0.8635548938158593 Energy: 0.7985400913858237 Energy: 0.8210122608401561 Energy: 0.8386314611848972 Energy: 0.8210122608401561 Energy: 0.8386314611848972 Energy: 0.8210122608401561 Energy: 0.8386314611848972 Energy: 0.7770404673447342 Energy: 0.7961931928797061 Energy: 0.7770404673447342 Energy: 0.7961931928797061 Energy: 0.7770404673447342 Energy: 0.7961931928797061 Energy: 0.8922284788750602 Energy: 0.8582157245991427 Energy: 0.8922284788750602 Energy: 0.8582157245991427 Energy: 0.8922284788750602 Energy: 0.8582157245991427 Energy: 0.8200645381432125 Energy: 0.7672684915621052 Energy: 0.8200645381432125 Energy: 0.7672684915621052 Energy: 0.8200645381432125 Energy: 0.7672684915621052 Energy: 0.8285706868740539 Energy: 0.8027825046256396 Energy: 0.8285706868740539 Energy: 0.8027825046256396 Energy: 0.8285706868740539 Energy: 0.8027825046256396 Energy: 0.7259679271457665 Energy: 0.7834633657318689 Energy: 0.7259679271457665 Energy: 0.7834633657318689 Energy: 0.7259679271457665 Energy: 0.7834633657318689 Energy: 0.8213190597373102 Energy: 0.8114990129830562 Energy: 0.8213190597373102 Energy: 0.8114990129830562 Energy: 0.8213190597373102 Energy: 0.8114990129830562 Energy: 0.7809994069599064 Energy: 0.7990069992958602 Energy: 0.7809994069599064 Energy: 0.7990069992958602 Energy: 0.7809994069612338 Energy: 0.7990069992958602 Energy: 0.8197013382200291 Energy: 0.8019042942328588 Energy: 0.8197013382200291 Energy: 0.8019042942341861 Energy: 0.8197013382200291 Energy: 0.8019042942341861 Energy: 0.8322763235975411 Energy: 0.8384986577026599 Energy: 0.8322763235975411 Energy: 0.8384986577039873 Energy: 0.8322763235975411 Energy: 0.8384986577026599 Energy: 0.7821727598441196 Energy: 0.8027094406310004 Energy: 0.7821727598441196 Energy: 0.8027094406310004 Energy: 0.7821727598441196 Energy: 0.8027094406310004 minimum gb energy = 0.7259679271457665 eV minimum distance = 2.33594144425729 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.9863263392450906 Energy: 0.9508161898714178 Energy: 0.9863263392450906 Energy: 0.9508161898714178 Energy: 0.9863263392450906 Energy: 0.9508161898714178 Energy: 0.8674996680757855 Energy: 0.9029403113033135 Energy: 0.8674996680757855 Energy: 0.9029403113033135 Energy: 0.8674996680757855 Energy: 0.9029403113033135 Energy: 0.9419409840843459 Energy: 0.916669392813341 Energy: 0.9419409840843459 Energy: 0.916669392813341 Energy: 0.9655793222805148 Energy: 0.916669392813341 Energy: 0.9143433576547366 Energy: 0.8749681496229627 Energy: 0.9143433576547366 Energy: 0.8749681496229627 Energy: 0.9143433576547366 Energy: 0.8749681496229627 Energy: 0.9241484506408372 Energy: 0.9121418510176885 Energy: 0.9241484506408372 Energy: 0.9121418510176885 Energy: 0.9241484506408372 Energy: 0.9121418510176885 Energy: 0.8904204911287104 Energy: 0.938042566314262 Energy: 0.8904204911287104 Energy: 0.938042566314262 Energy: 0.8904204911287104 Energy: 0.938042566314262 Energy: 0.9108173525838158 Energy: 0.8967806836954929 Energy: 0.9108173525838158 Energy: 0.8967806836960761 Energy: 0.9108173525838158 Energy: 0.8967806836954929 Energy: 0.9068247827939838 Energy: 0.9060580584725492 Energy: 0.9068247827939838 Energy: 0.9060580584725492 Energy: 0.9068247827939838 Energy: 0.9060580584725492 Energy: 0.9201893916088719 Energy: 0.8988912167210397 Energy: 0.9201893916088719 Energy: 0.8988912167210397 Energy: 0.9201893916088719 Energy: 0.8988912167210397 Energy: 0.9089964918541263 Energy: 0.9214267441850856 Energy: 0.9089964918541263 Energy: 0.9214267441850856 Energy: 0.9089964918541263 Energy: 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0.9171071403405816 Energy: 0.910799384670539 Energy: 0.9171071403405816 Energy: 0.910799384670539 Energy: 0.9171071403405816 Energy: 0.9439030575679446 Energy: 0.9131940407190392 Energy: 0.9439030575679446 Energy: 0.9131940407190392 Energy: 0.9439030575673616 Energy: 0.9131940407190392 Energy: 0.9091842763631711 Energy: 0.9028615042502984 Energy: 0.9091842763631711 Energy: 0.9028615042502984 Energy: 0.9091842763631711 Energy: 0.9028615042502984 Energy: 0.8897680284373817 Energy: 0.9084802221800024 Energy: 0.8897680284373817 Energy: 0.9084802221800024 Energy: 0.8897680284373817 Energy: 0.9084802221800024 Energy: 0.8897535239472062 Energy: 0.9265259730991671 Energy: 0.8897535239472062 Energy: 0.9265259730991671 Energy: 0.8897535239472062 Energy: 0.9265259730991671 Energy: 0.9264942659737588 Energy: 0.8978934460186568 Energy: 0.9264942659737588 Energy: 0.8978934460186568 Energy: 0.9264942659737588 Energy: 0.8978934460186568 Energy: 0.9132582327773897 Energy: 0.9189261647984661 Energy: 0.9132582327773897 Energy: 0.9189261647984661 Energy: 0.9132582327773897 Energy: 0.9189261647984661 Energy: 0.8985450933969429 Energy: 0.8610453645902296 Energy: 0.8985450933969429 Energy: 0.8610453645902296 Energy: 0.8985450933969429 Energy: 0.8610453645902296 Energy: 0.9089622411392755 Energy: 0.9456112461920819 Energy: 0.9089622411392755 Energy: 0.9456112461920819 Energy: 0.9089622411392755 Energy: 0.9456112461926651 minimum gb energy = 0.8552294146862849 eV minimum distance = 2.3042507305449 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8850410934903445 Energy: 0.8689100990017883 Energy: 0.8850410934903445 Energy: 0.8689100990017883 Energy: 0.8850410934903445 Energy: 0.8689100990017883 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9325642919669415 Energy: 0.9147322055330599 Energy: 0.9325642919669415 Energy: 0.9147322055330599 Energy: 0.9325642919669415 Energy: 0.9147322055330599 Energy: 0.8849818292702423 Energy: 0.9012789946961954 Energy: 0.8849818292702423 Energy: 0.8797643320219175 Energy: 0.8849818292702423 Energy: 0.8797643320219175 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9253651347371686 Energy: 0.8616068938099924 Energy: 0.9253651347371686 Energy: 0.8616068938099924 Energy: 0.9253651347371686 Energy: 0.8616068938099924 Energy: 0.8850410934903445 Energy: 0.868910099002826 Energy: 0.8850410934903445 Energy: 0.8689100990017883 Energy: 0.8850410934903445 Energy: 0.868910099002826 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9325642919669415 Energy: 0.9147322055330599 Energy: 0.9325642919669415 Energy: 0.9147322055330599 Energy: 0.9325642919669415 Energy: 0.9147322055330599 Energy: 0.8849818292702423 Energy: 0.8514507575326292 Energy: 0.8849818292702423 Energy: 0.8514507575326292 Energy: 0.8849818292702423 Energy: 0.8514507575326292 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9253651347371686 Energy: 0.8616068938099924 Energy: 0.9253651347371686 Energy: 0.8616068938099924 Energy: 0.9253651347371686 Energy: 0.8616068938099924 Energy: 0.8850410934903445 Energy: 0.868910099002826 Energy: 0.8850410934903445 Energy: 0.868910099002826 Energy: 0.8850410934903445 Energy: 0.868910099002826 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9253271049774525 Energy: 0.9813460046458877 Energy: 0.9325642919690167 Energy: 0.9147322055330599 Energy: 0.932564291971092 Energy: 0.9147322055330599 Energy: 0.9325642919700543 Energy: 0.9147322055330599 Energy: 0.8849818292702423 Energy: 0.8514507575326292 Energy: 0.8849818292692047 Energy: 0.8514507575326292 Energy: 0.8849818292702423 Energy: 0.8514507575326292 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9328360863705852 Energy: 0.9147457753201643 Energy: 0.9328360863705852 Energy: 0.9147457753201643 minimum gb energy = 0.8514507575326292 eV minimum distance = 2.33617083283663 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9716910926211723 Energy: 0.9081547944351862 Energy: 0.9716910926211723 Energy: 0.9081547944351862 Energy: 0.9716910926211723 Energy: 0.9081547944351862 Energy: 0.9367557207544603 Energy: 0.9069217306497132 Energy: 0.9367557207544603 Energy: 0.9069217306497132 Energy: 0.9367557207544603 Energy: 0.9069217306497132 Energy: 0.988747970594548 Energy: 0.9361158121565177 Energy: 0.988747970594548 Energy: 0.9361158121556706 Energy: 0.9361451566703364 Energy: 0.9361158121565177 Energy: 0.9172090147908469 Energy: 0.9863273460025614 Energy: 0.9172090147908469 Energy: 0.9863273460025614 Energy: 0.9172090147908469 Energy: 0.9863273460025614 Energy: 0.9325174746211474 Energy: 0.9447397875470949 Energy: 0.9325174746211474 Energy: 0.9447397875470949 Energy: 0.9325174746211474 Energy: 0.9447397875470949 Energy: 0.939300334226856 Energy: 0.9453627795427011 Energy: 0.939300334226856 Energy: 0.9453627795427011 Energy: 0.939300334226856 Energy: 0.9453627795427011 Energy: 0.9310780742585438 Energy: 0.9418814630410681 Energy: 0.9310780742585438 Energy: 0.9418814630410681 Energy: 0.9310780742585438 Energy: 0.9418814630410681 Energy: 0.9229143573336318 Energy: 0.9612514021799092 Energy: 0.9229143573336318 Energy: 0.9612514021799092 Energy: 0.9229143573336318 Energy: 0.9612514021799092 Energy: 1.000177138732075 Energy: 0.9078247563167121 Energy: 1.000177138732075 Energy: 0.9078247563167121 Energy: 1.000177138732075 Energy: 0.9078247563167121 Energy: 0.9360364963235515 Energy: 0.9240792399083546 Energy: 0.9360364963235515 Energy: 0.9240792399083546 Energy: 0.9360364963235515 Energy: 0.9240792399083546 Energy: 0.9110560901105389 Energy: 0.9340796098304556 Energy: 0.9110560901105389 Energy: 0.9340796098304556 Energy: 0.9110560901105389 Energy: 0.9340796098304556 Energy: 0.9772943752035997 Energy: 0.9442584368811738 Energy: 0.9772943752035997 Energy: 0.9442584368820212 Energy: 0.9772943752035997 Energy: 0.9442584368820212 Energy: 0.9332446180643937 Energy: 0.9603199919592126 Energy: 0.9332446180643937 Energy: 0.9603199919592126 Energy: 0.9332446180643937 Energy: 0.9603199919592126 Energy: 0.9332968992672855 Energy: 0.9254152567559385 Energy: 0.9332968992672855 Energy: 0.9254152567559385 Energy: 0.9332968992672855 Energy: 0.9254152567559385 Energy: 0.984916278810154 Energy: 0.9333862078423625 Energy: 0.984916278810154 Energy: 0.9333862078423625 Energy: 0.984916278810154 Energy: 0.9333862078423625 Energy: 0.9753672676341271 Energy: 0.9334684080250102 Energy: 0.9753672676341271 Energy: 0.9334684080250102 Energy: 0.9753672676341271 Energy: 0.9334684080250102 Energy: 0.9451932073816935 Energy: 0.9337653479124449 Energy: 0.9451932073808464 Energy: 0.9337653479115978 Energy: 0.9451932073808464 Energy: 0.9337653479124449 Energy: 1.031513089301639 Energy: 0.9369460112194192 Energy: 1.031513089301639 Energy: 0.9369460112194192 Energy: 1.031513089301639 Energy: 0.9369460112194192 Energy: 0.9242010244057043 Energy: 0.9300427187041852 Energy: 0.9242010244057043 Energy: 0.9300427187041852 Energy: 0.9242010244057043 Energy: 0.9300427187041852 Energy: 0.9335279582208763 Energy: 0.9080812673042649 Energy: 0.9335279582208763 Energy: 0.9080812673042649 Energy: 0.9335279582200291 Energy: 0.9080812673042649 Energy: 0.9801448319649892 Energy: 0.9523893900039032 Energy: 0.9801448319649892 Energy: 0.9523893900039032 Energy: 0.9801448319649892 Energy: 0.9523893900039032 minimum gb energy = 0.9069217306497132 eV minimum distance = 2.31194686161844 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.9904574624810866 Energy: 0.8935329715162514 Energy: 0.9904574624810866 Energy: 0.8935329715162514 Energy: 0.9904574624810866 Energy: 0.8935329715155371 Energy: 0.9607638754565295 Energy: 0.8973620511974398 Energy: 0.9607638754565295 Energy: 0.8973620511974398 Energy: 0.9607638754565295 Energy: 0.8973620511974398 Energy: 0.8962062785144004 Energy: 0.9131494148512637 Energy: 0.8962062785144004 Energy: 0.9131494148512637 Energy: 0.8962062785144004 Energy: 0.9131494148512637 Energy: 0.8985924167935604 Energy: 0.8928387971248437 Energy: 0.8985924167935604 Energy: 0.8928387971248437 Energy: 0.8985924167935604 Energy: 0.8928387971248437 Energy: 0.8983184428254392 Energy: 0.9147029572108702 Energy: 0.8983184428254392 Energy: 0.9147029572108702 Energy: 0.8983184428261535 Energy: 0.9147029572108702 Energy: 0.9094187422904652 Energy: 0.9765284830249984 Energy: 0.9094187422904652 Energy: 0.9765284830249984 Energy: 0.9094187422904652 Energy: 0.9765284830249984 Energy: 0.8989612893467894 Energy: 0.923319594022236 Energy: 0.8989612893467894 Energy: 0.923319594022236 Energy: 0.8989612893467894 Energy: 0.923319594022236 Energy: 0.9210555179155016 Energy: 0.8959166336328721 Energy: 0.9210555179155016 Energy: 0.8959166336328721 Energy: 0.9210555179155016 Energy: 0.8959166336328721 Energy: 0.9016534736851742 Energy: 0.9217522268435521 Energy: 0.9016534736851742 Energy: 0.9217522268435521 Energy: 0.9016534736851742 Energy: 0.9217522268435521 Energy: 0.9722042999415207 Energy: 0.8973411102792038 Energy: 0.9722042999415207 Energy: 0.8973411102784897 Energy: 0.9722042999415207 Energy: 0.8973411102784897 Energy: 0.9678378769375449 Energy: 0.9207045129560304 Energy: 0.9678378769375449 Energy: 0.9207045129553162 Energy: 0.9678378769375449 Energy: 0.9207045129553162 Energy: 0.926960501425931 Energy: 0.90324251764632 Energy: 0.926960501425931 Energy: 0.90324251764632 Energy: 0.926960501425931 Energy: 0.90324251764632 Energy: 0.9381616063800206 Energy: 0.9223168846901453 Energy: 0.9381616063800206 Energy: 0.9223168846901453 Energy: 0.9381616063800206 Energy: 0.9223168846901453 Energy: 0.9179275188196542 Energy: 0.9033099899701718 Energy: 0.9179275188196542 Energy: 0.9033099899708861 Energy: 0.9179275188196542 Energy: 0.9033099899708861 Energy: 0.9028149360814007 Energy: 0.9771797749062113 Energy: 0.9028149360814007 Energy: 0.9771797749062113 Energy: 0.9028149360814007 Energy: 0.9771797749069254 Energy: 0.9100675262378592 Energy: 0.9144622257483843 Energy: 0.9100675262378592 Energy: 0.9144622257483843 Energy: 0.9100675262378592 Energy: 0.9144622257483843 Energy: 0.8991426316837775 Energy: 0.8978446136480398 Energy: 0.8991426316837775 Energy: 0.8978446136480398 Energy: 0.8991426316837775 Energy: 0.8978446136480398 Energy: 0.8928068703086142 Energy: 0.9035603519583337 Energy: 0.8928068703086142 Energy: 0.9035603519583337 Energy: 0.8928068703086142 Energy: 0.9035603519583337 Energy: 0.8583418921535159 Energy: 0.8979620062539033 Energy: 0.8583418921535159 Energy: 0.8979620062539033 Energy: 0.8583418921535159 Energy: 0.8979620062539033 Energy: 0.9904574624810866 Energy: 0.8935329715162514 Energy: 0.9904574624810866 Energy: 0.8935329715155371 Energy: 0.9904574624810866 Energy: 0.8935329715155371 Energy: 0.9607638754565295 Energy: 0.8973620511974398 Energy: 0.9607638754565295 Energy: 0.8973620511974398 Energy: 0.9607638754565295 Energy: 0.8973620511974398 Energy: 0.8962062785144004 Energy: 0.9131494148512637 Energy: 0.8962062785144004 Energy: 0.9131494148512637 Energy: 0.8962062785144004 Energy: 0.9131494148512637 Energy: 0.8985924167935604 Energy: 0.8928387971248437 Energy: 0.8985924167935604 Energy: 0.8928387971248437 Energy: 0.8985924167935604 Energy: 0.8928387971248437 Energy: 0.8983184428254392 Energy: 0.9147029572108702 Energy: 0.8983184428261535 Energy: 0.9147029572101559 Energy: 0.8983184428261535 Energy: 0.9147029572108702 Energy: 0.9094187422904652 Energy: 0.9765284830249984 Energy: 0.9094187422904652 Energy: 0.9765284830242842 Energy: 0.9094187422904652 Energy: 0.9765284830242842 minimum gb energy = 0.8583418921535159 eV minimum distance = 2.31849590279028 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9106562985207051 Energy: 0.9063716555048447 Energy: 0.9106562985207051 Energy: 0.9063716555048447 Energy: 0.9106562985207051 Energy: 0.9063716555048447 Energy: 0.8994989534866886 Energy: 0.8915523512784265 Energy: 0.8994989534860721 Energy: 0.8915523512784265 Energy: 0.8994989534866886 Energy: 0.8915523512784265 Energy: 0.9050415891960022 Energy: 0.8703715457757994 Energy: 0.9050415891960022 Energy: 0.8703715457757994 Energy: 0.9050415891953858 Energy: 0.8703715457757994 Energy: 0.8817076131700354 Energy: 0.8926084161010421 Energy: 0.8817076131706519 Energy: 0.8926084161010421 Energy: 0.8817076131700354 Energy: 0.8926084161010421 Energy: 0.8998445008442091 Energy: 0.9060634691679281 Energy: 0.8998445008442091 Energy: 0.9060634691679281 Energy: 0.8998445008442091 Energy: 0.9060634691679281 Energy: 0.8895307215875988 Energy: 0.8871823620713299 Energy: 0.8895307215875988 Energy: 0.8871823620719465 Energy: 0.8895307215875988 Energy: 0.8871823620713299 Energy: 0.8685038088026298 Energy: 0.9118581407367569 Energy: 0.8685038088026298 Energy: 0.9118581407367569 Energy: 0.8685038088026298 Energy: 0.9118581407367569 Energy: 0.892458909367414 Energy: 0.9165991212370113 Energy: 0.892458909367414 Energy: 0.9165991212370113 Energy: 0.892458909367414 Energy: 0.9165991212370113 Energy: 0.9461237093897742 Energy: 0.8697394210521594 Energy: 0.9461237093897742 Energy: 0.8697394210527758 Energy: 0.9461237093897742 Energy: 0.8697394210521594 Energy: 0.9093703965097671 Energy: 0.8942563253328437 Energy: 0.9093703965097671 Energy: 0.8942563253328437 Energy: 0.9093703965097671 Energy: 0.8942563253328437 Energy: 0.8752706442826134 Energy: 0.9158425754136167 Energy: 0.8752706442826134 Energy: 0.9158425754130005 Energy: 0.8752706442826134 Energy: 0.9158425754130005 Energy: 0.9027653661400974 Energy: 0.8689198748560656 Energy: 0.9027653661400974 Energy: 0.8689198748560656 Energy: 0.9027653661400974 Energy: 0.8689198748560656 Energy: 0.8949379000884162 Energy: 0.8919673955999702 Energy: 0.8949379000884162 Energy: 0.8919673956005867 Energy: 0.8949379000884162 Energy: 0.8919673955999702 Energy: 0.8834414335429764 Energy: 0.8922508551474518 Energy: 0.8834414335429764 Energy: 0.8922508551474518 Energy: 0.8834414335429764 Energy: 0.8922508551474518 Energy: 0.9143827623978996 Energy: 0.8750260150014255 Energy: 0.9143827623978996 Energy: 0.8750260150014255 Energy: 0.9143827623978996 Energy: 0.8750260150014255 Energy: 0.9060092433511627 Energy: 0.8708343886385662 Energy: 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0.8692263965402491 Energy: 0.947421019679642 Energy: 0.8692263965402491 Energy: 0.9473405955249874 Energy: 0.8998219053882925 Energy: 0.9473405955249874 Energy: 0.8998219053882925 Energy: 0.9473405955249874 Energy: 0.8998219053882925 Energy: 0.9089871687298428 Energy: 0.9107941950858132 Energy: 0.9089871687298428 Energy: 0.9107941950858132 Energy: 0.9089871687298428 Energy: 0.9107941950858132 Energy: 0.8929770100697555 Energy: 0.869405326674954 Energy: 0.8929770100697555 Energy: 0.869405326674954 Energy: 0.8929770100697555 Energy: 0.869405326674954 Energy: 0.9011686333175025 Energy: 0.8843322108927465 Energy: 0.9011686333175025 Energy: 0.8843322108927465 Energy: 0.9011686333175025 Energy: 0.8843322108927465 Energy: 0.8773717471265506 Energy: 0.8963001835404898 Energy: 0.8773717471265506 Energy: 0.8963001835404898 Energy: 0.8773717471265506 Energy: 0.8963001835404898 Energy: 0.9116766575912527 Energy: 0.8886084622343394 Energy: 0.9116766575912527 Energy: 0.8886084622343394 Energy: 0.9116766575912527 Energy: 0.8886084622343394 Energy: 0.8993283999412829 Energy: 0.8882273945528589 Energy: 0.8993283999412829 Energy: 0.8882273945528589 Energy: 0.8993283999412829 Energy: 0.8882273945528589 minimum gb energy = 0.8685038088026298 eV minimum distance = 2.30912123300728 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8590323500492968 Energy: 0.9005608015945789 Energy: 0.8590323500492968 Energy: 0.9005608015945789 Energy: 0.8590323500492968 Energy: 0.9005608015945789 Energy: 0.9006014059418385 Energy: 0.8661420518194011 Energy: 0.9006014059418385 Energy: 0.8684604868161805 Energy: 0.9006014059418385 Energy: 0.8537362096345258 Energy: 0.8743484161892081 Energy: 0.8300218694826482 Energy: 0.8743484161892081 Energy: 0.8300218694826482 Energy: 0.8743484161892081 Energy: 0.8300218694826482 Energy: 0.8254296695109647 Energy: 0.9067944946442341 Energy: 0.8254296695109647 Energy: 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0.8562820847178403 Energy: 0.9248242093492453 Energy: 0.8208687995431538 Energy: 0.9688375675898061 Energy: 0.8208687995431538 Energy: 0.9688375675898061 Energy: 0.8208687995431538 Energy: 0.9688375675898061 Energy: 0.9086431913440352 Energy: 0.8529475205086471 Energy: 0.9086431913440352 Energy: 0.8529475205086471 Energy: 0.9086431913440352 Energy: 0.8529475205086471 Energy: 0.8694164735301158 Energy: 0.8296240877820437 Energy: 0.8694164735301158 Energy: 0.8296240877825857 Energy: 0.8694164735301158 Energy: 0.8296240877825857 Energy: 0.8630760624329221 Energy: 0.9107894263415289 Energy: 0.8630760624329221 Energy: 0.8933715317087242 Energy: 0.8630760624329221 Energy: 0.8933715317087242 Energy: 0.8994138953981293 Energy: 0.8543804010359486 Energy: 0.8994138953981293 Energy: 0.8543804010359486 Energy: 0.8994138953981293 Energy: 0.8543804010359486 Energy: 0.8747138540959251 Energy: 0.829067025254966 Energy: 0.8747138540959251 Energy: 0.829067025254966 Energy: 0.8747138540959251 Energy: 0.829067025254966 Energy: 0.8192981315428071 Energy: 0.8900988450171003 Energy: 0.8192981315428071 Energy: 0.8900988450171003 Energy: 0.8192981315428071 Energy: 0.8900988450171003 Energy: 0.821859762554534 Energy: 0.878304853560475 Energy: 0.821859762554534 Energy: 0.878304853560475 Energy: 0.821859762554534 Energy: 0.878304853560475 Energy: 0.8675946521455695 Energy: 0.8307889738543558 Energy: 0.8675946521455695 Energy: 0.8307889738543558 Energy: 0.8675946521455695 Energy: 0.8307889738543558 Energy: 0.8377080292044269 Energy: 0.881653757166573 Energy: 0.837708029203885 Energy: 0.881653757166573 Energy: 0.8377080292044269 Energy: 0.881653757166573 Energy: 0.8210787874911384 Energy: 0.9686618352188561 Energy: 0.8210787874911384 Energy: 0.9686618352188561 Energy: 0.8210787874911384 Energy: 0.9686618352188561 Energy: 0.897836319895888 Energy: 0.8257310456874404 Energy: 0.897836319895888 Energy: 0.8257310456868984 Energy: 0.897836319895888 Energy: 0.8257310456868984 Energy: 0.8972838181462667 Energy: 0.8254858730490404 Energy: 0.8972838181462667 Energy: 0.8254858730490404 Energy: 0.8972838181462667 Energy: 0.8254858730490404 Energy: 0.8252984031041659 Energy: 0.8953422426729407 Energy: 0.8252984031041659 Energy: 0.8953422426729407 Energy: 0.8252984031041659 Energy: 0.8953422426729407 Energy: 0.91010385590936 Energy: 0.8552450225966678 Energy: 0.910103855908818 Energy: 0.8552450225972097 Energy: 0.910103855908818 Energy: 0.8552450225972097 Energy: 0.8716847588537758 Energy: 0.829685682675718 Energy: 0.8716847588537758 Energy: 0.829685682675718 Energy: 0.8716847588537758 Energy: 0.829685682675718 Energy: 0.858726329161272 Energy: 0.8812042446293434 Energy: 0.858726329161272 Energy: 0.8812042446293434 Energy: 0.858726329161272 Energy: 0.8812042446293434 Energy: 0.8589616400354968 Energy: 0.8843619015705653 Energy: 0.8589616400354968 Energy: 0.8843619015705653 Energy: 0.8589616400354968 Energy: 0.8843619015705653 Energy: 0.8930107384168288 Energy: 0.8392857379829892 Energy: 0.8930107384168288 Energy: 0.8392857379829892 Energy: 0.8930107384168288 Energy: 0.8392857379829892 Energy: 0.8183963935069196 Energy: 0.8849198777164925 Energy: 0.8183963935069196 Energy: 0.8849198777164925 Energy: 0.8183963935069196 Energy: 0.8849198777164925 Energy: 0.8196241840805661 Energy: 0.8656369755792288 Energy: 0.8196241840805661 Energy: 0.8656369755792288 Energy: 0.8196241840805661 Energy: 0.8656369755797706 Energy: 0.8975916792856846 Energy: 0.8260838936497727 Energy: 0.8975916792856846 Energy: 0.8260838936497727 Energy: 0.8975916792856846 Energy: 0.8260838936497727 Energy: 0.9024379080539223 Energy: 0.8248017420236952 Energy: 0.9024379080539223 Energy: 0.8248017420236952 Energy: 0.9024379080539223 Energy: 0.8248017420236952 minimum gb energy = 0.8183963935069196 eV minimum distance = 2.32430671430451 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.01563966813824423 Energy: 0.6357643128070437 Energy: 0.01563966813824423 Energy: 0.6357643128070437 Energy: 0.01563966813824423 Energy: 0.6357643128070437 Energy: 0.016450751813269875 Energy: 0.24413769343707029 Energy: 0.016450751813269875 Energy: 0.24413769343707029 Energy: 0.016450751813269875 Energy: 0.24413769343707029 Energy: 0.6366417586708097 Energy: 0.24455660207874128 Energy: 0.6366387790557345 Energy: 0.2445566021143854 Energy: 0.6366191807426083 Energy: 0.24455660209897714 Energy: 0.016450751813269875 Energy: 0.24413769343707029 Energy: 0.016450751813269875 Energy: 0.24413769343707029 Energy: 0.016450751813269875 Energy: 0.24413769343707029 minimum gb energy = 0.01563966813824423 eV minimum distance = 2.52411437907394 Angstroms sigma value = 1