Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_694335101831_001 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.613315641880036 cohesive_energy=3.5402784385503736 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.01678011805781215 Energy: 0.421844384926124 Energy: 0.712479897001357 Energy: 0.4218315593152263 Energy: 0.016780118057555853 Energy: 0.42184438492538356 Energy: 0.23286816355728646 Energy: 0.4267203046271911 Energy: 0.01703287288430072 Energy: 0.2407398076753714 Energy: 0.017050482872352644 Energy: 0.42672030462796 Energy: 0.01703287288353182 Energy: 0.24073980767511508 Energy: 0.01678011805806845 Energy: 0.42184438492638027 Energy: 0.7124798970018695 Energy: 0.4218315593154826 Energy: 0.016780118057555853 Energy: 0.42184438492538356 Energy: 0.23286816355779905 Energy: 0.4267203046271911 Energy: 0.01703287288404442 Energy: 0.2407398076753714 Energy: 0.017050482872352644 Energy: 0.4267203046277037 Energy: 0.01703287288404442 Energy: 0.24073980767511508 Energy: 0.01678011805781215 Energy: 0.421844384926124 Energy: 0.23286816355628975 Energy: 0.4218315593154826 Energy: 0.016780118057555853 Energy: 0.42184438492461473 Energy: 0.23286816355754278 Energy: 0.4267203046271911 Energy: 0.01703287288430072 Energy: 0.2407398076753714 Energy: 0.017050482872352644 Energy: 0.4267203046277037 Energy: 0.01703287288404442 Energy: 0.24073980767511508 minimum gb energy = 0.016780118057555853 eV minimum distance = 2.53365452948367 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.198088102986472 Energy: 1.1938809137413384 Energy: 1.203621255874291 Energy: 1.1996841843773294 Energy: 1.1980881029834105 Energy: 1.1938809137413384 Energy: 1.203621255874291 Energy: 1.0961807331635125 Energy: 1.136561014293272 Energy: 1.148863780393081 Energy: 1.1263891230528988 Energy: 1.0961807331635125 Energy: 1.136561014293272 Energy: 1.1488637803961426 Energy: 1.0726327650689265 Energy: 1.1235364881277292 Energy: 1.2251833167144195 Energy: 1.0947779981356853 Energy: 1.0726327650689265 Energy: 1.1235364881246679 Energy: 1.2251833167144195 Energy: 1.1585059040345127 Energy: 1.1386982223950808 Energy: 1.1936421983122165 Energy: 1.134138040884532 Energy: 1.1585059040314512 Energy: 1.1386982223950808 Energy: 1.1936421983122165 Energy: 1.0737687431697647 Energy: 1.0734761306474605 Energy: 1.2641731955322961 Energy: 1.1162151209919708 Energy: 1.0737687431728262 Energy: 1.0734761306474605 Energy: 1.2641731955322961 Energy: 1.1141082384153966 Energy: 1.130243946714811 Energy: 1.1885620994935937 Energy: 1.1336187223414227 Energy: 1.114108238412335 Energy: 1.130243946714811 Energy: 1.1885620994935937 Energy: 1.0827133527182526 Energy: 1.1112121833346478 Energy: 1.297874036030369 Energy: 1.174821012106084 Energy: 1.082713352715191 Energy: 1.111212183331586 Energy: 1.2500172377737329 Energy: 1.076190374817862 Energy: 1.0785705316696512 Energy: 1.2825737637796115 Energy: 1.1201442039832779 Energy: 1.076190374817862 Energy: 1.0785705316696512 Energy: 1.2825737637826733 Energy: 1.056423459519935 Energy: 1.0968183626169972 Energy: 1.33013401519295 Energy: 1.0797759070913122 Energy: 1.056423459519935 Energy: 1.0968183626200587 Energy: 1.3301340151960117 Energy: 1.0766362826363614 Energy: 1.141070653494223 Energy: 1.2729825267256825 Energy: 1.107102540051955 Energy: 1.0766362826363614 Energy: 1.141070653494223 Energy: 1.2729825267195591 Energy: 1.0790264625239738 Energy: 1.1280264595433722 Energy: 1.1575399995925197 Energy: 1.1294375595972581 Energy: 1.0790264625209123 Energy: 1.1280264595433722 Energy: 1.1575399995925197 Energy: 1.1085283117622895 Energy: 1.176793785692267 Energy: 1.1918122782619816 Energy: 1.097134075117123 Energy: 1.1085283117592277 Energy: 1.176793785692267 Energy: 1.1918122782589198 Energy: 1.1662021901804858 Energy: 1.2000024639517708 Energy: 1.2294903842236002 Energy: 1.1246994614691912 Energy: 1.1662021901774244 Energy: 1.2000024639487092 Energy: 1.2294903842205387 Energy: 1.1057323409872928 Energy: 1.1072730173573697 Energy: 1.1627858804758506 Energy: 1.09129154468093 Energy: 1.1057323409872928 Energy: 1.1072730173573697 Energy: 1.1627858804758506 Energy: 1.0830619608585488 Energy: 1.0811212282451585 Energy: 1.1961436393583318 Energy: 1.1333813479277488 Energy: 1.0830619608616103 Energy: 1.0811212282451585 Energy: 1.1961436393583318 Energy: 1.18256177714126 Energy: 1.1651343791320616 Energy: 1.3259416331165814 Energy: 1.2775884001339541 Energy: 1.18256177714126 Energy: 1.1651343791320616 Energy: 1.3259416331165814 Energy: 1.0784431280278133 Energy: 1.0937148164178188 Energy: 1.1252081661974618 Energy: 1.1340128644720877 Energy: 1.0784431280308748 Energy: 1.0937148164208803 Energy: 1.1252081661974618 Energy: 1.0771924648614442 Energy: 1.09731467484595 Energy: 1.271159027349169 Energy: 1.0964174526475556 Energy: 1.0771924648614442 Energy: 1.0973146748428884 Energy: 1.2711590273461073 Energy: 1.0851593731088554 Energy: 1.115265483620315 Energy: 1.3220683707964036 Energy: 1.0974159611707262 Energy: 1.0851593731119167 Energy: 1.1152654836172535 Energy: 1.322068370793342 Energy: 1.06930970260089 Energy: 1.0758034094866011 Energy: 1.179037765578008 Energy: 1.1206852187872314 Energy: 1.0693097025978284 Energy: 1.0758034094866011 Energy: 1.179037765578008 Energy: 1.0873489860968724 Energy: 1.1361146332366119 Energy: 1.205096013331785 Energy: 1.1028166604597993 Energy: 1.0873489860968724 Energy: 1.1361146332396737 Energy: 1.205096013331785 Energy: 1.0758978228393787 Energy: 1.165129466926117 Energy: 1.245874295323647 Energy: 1.1014068187182466 Energy: 1.0758978228393787 Energy: 1.165129466926117 Energy: 1.2458742953267086 Energy: 1.0741039292425936 Energy: 1.0826499139187327 Energy: 1.2962723294005494 Energy: 1.0832909912255708 Energy: 1.0741039292425936 Energy: 1.0826499139187327 Energy: 1.2962723294005494 Energy: 1.1125702125880959 Energy: 1.1784365513622814 Energy: 1.170529413532089 Energy: 1.108487289426579 Energy: 1.1125702125880959 Energy: 1.1784365513622814 Energy: 1.170529413532089 Energy: 1.066095945942119 Energy: 1.1392749837683422 Energy: 1.234305132364438 Energy: 1.1209750841242623 Energy: 1.0660959459451806 Energy: 1.1392749837683422 Energy: 1.234305132364438 Energy: 1.0946682561142118 Energy: 1.1476803608741784 Energy: 1.1430889756009355 Energy: 1.1565172146085827 Energy: 1.0946682561142118 Energy: 1.1476803608741784 Energy: 1.1430889756009355 Energy: 1.1437968091206336 Energy: 1.124744260327256 Energy: 1.1959318143686013 Energy: 1.1030539302650668 Energy: 1.1437968091175719 Energy: 1.124744260327256 Energy: 1.1959318143686013 Energy: 1.1254626350559667 Energy: 1.234963954695641 Energy: 1.1981209818657952 Energy: 1.1715094993392787 Energy: 1.1254626350529051 Energy: 1.2349639546987026 Energy: 1.1981209818688567 Energy: 1.1084075532632967 Energy: 1.0953808552985191 Energy: 1.2082395079617896 Energy: 1.1100722969082468 Energy: 1.1084075532632967 Energy: 1.0953808552954574 Energy: 1.2082395079648514 Energy: 1.1029964371184173 Energy: 1.1283230418656212 Energy: 1.2045168703887141 Energy: 1.1385342291747085 Energy: 1.1029964371153558 Energy: 1.1283230418686272 Energy: 1.2045168703856524 Energy: 1.0835562183487275 Energy: 1.1248422430939637 Energy: 1.2648486081250672 Energy: 1.1814423185276721 Energy: 1.0835562183487275 Energy: 1.1248422430909022 Energy: 1.2648486081220054 Energy: 1.1096628957676655 Energy: 1.1126267393178477 Energy: 1.1261201398820189 Energy: 1.1350374950833049 Energy: 1.1096628957707269 Energy: 1.112626739314786 Energy: 1.1261201398850806 Energy: 1.081961513294847 Energy: 1.1254752272287931 Energy: 1.2039048490590716 Energy: 1.0842115427840653 Energy: 1.0819615132979086 Energy: 1.1254752272257313 Energy: 1.2039048490529485 Energy: 1.0908038286536357 Energy: 1.1226641700694326 Energy: 1.2798190217753633 Energy: 1.063632030042579 Energy: 1.090803828650574 Energy: 1.1226641700724944 Energy: 1.2798190217753633 Energy: 1.0676797095219892 Energy: 1.0774664876150062 Energy: 1.1406804099451966 Energy: 1.1279380065327183 Energy: 1.0676797095189274 Energy: 1.077466487618068 Energy: 1.1406804099451966 Energy: 1.0754333207764029 Energy: 1.1410536347629154 Energy: 1.239592933538129 Energy: 1.1003288413473182 Energy: 1.0754333207764029 Energy: 1.1410536347629154 Energy: 1.239592933538129 Energy: 1.0672090307758852 Energy: 1.1140177039975965 Energy: 1.269314721243091 Energy: 1.0900383248540488 Energy: 1.0672090307758852 Energy: 1.1140177039975965 Energy: 1.269314721243091 Energy: 1.0924647091529802 Energy: 1.0867256477290943 Energy: 1.2020581641434729 Energy: 1.090892222699534 Energy: 1.0924647091499187 Energy: 1.086725647732156 Energy: 1.2020581641434729 Energy: 1.105549970377687 Energy: 1.1888281421281317 Energy: 1.2147293849361323 Energy: 1.0999192764101327 Energy: 1.105549970377687 Energy: 1.1888281421250702 Energy: 1.2147293849330705 Energy: 1.1114033307846907 Energy: 1.1981018718748142 Energy: 1.1897741951503398 Energy: 1.1374083180133505 Energy: 1.1114033307846907 Energy: 1.1981018718748142 Energy: 1.1897741951503398 Energy: 1.1008771049246417 Energy: 1.1264730676235808 Energy: 1.1688901233508782 Energy: 1.138464691376312 Energy: 1.1008771049277035 Energy: 1.1264730676235808 Energy: 1.1688901233478166 Energy: 1.109278110611415 Energy: 1.1190477218173762 Energy: 1.1690029440832714 Energy: 1.1197174352984103 Energy: 1.1092781106084089 Energy: 1.1190477218143147 Energy: 1.169002944086333 Energy: 1.1635497109830253 Energy: 1.1212316225589762 Energy: 1.2406765015673438 Energy: 1.1984221735977318 Energy: 1.1635497109830253 Energy: 1.1212316225589762 Energy: 1.2406765015673438 Energy: 1.1131280237779857 Energy: 1.08544053012147 Energy: 1.1967108392468335 Energy: 1.1157625190712557 Energy: 1.113128023781047 Energy: 1.0854405301245318 Energy: 1.1967108392468335 Energy: 1.058581029795388 Energy: 1.0765494489446732 Energy: 1.241278523083725 Energy: 1.1138889313115277 Energy: 1.0585810297984495 Energy: 1.0765494489446732 Energy: 1.241278523083725 Energy: 1.07445871537427 Energy: 1.114678909136611 Energy: 1.292373226392908 Energy: 1.172930912243533 Energy: 1.07445871537427 Energy: 1.114678909136611 Energy: 1.292373226392908 Energy: 1.0542921676574777 Energy: 1.1239601203256597 Energy: 1.170624418667755 Energy: 1.0811296427645876 Energy: 1.054292167654416 Energy: 1.1239601203256597 Energy: 1.1706244186708163 minimum gb energy = 1.054292167654416 eV minimum distance = 2.27713956341261 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.125053319863891 Energy: 1.2436874736279557 Energy: 1.2006273017406697 Energy: 1.19350418397687 Energy: 1.125053319864207 Energy: 1.2436874736275767 Energy: 1.2006273017392797 Energy: 1.0692251000185349 Energy: 1.1839578740339647 Energy: 1.2249998211964006 Energy: 1.1162290342139465 Energy: 1.069225100018156 Energy: 1.1839578740343437 Energy: 1.2249998211988646 Energy: 1.0684733823233363 Energy: 1.1819878211986 Energy: 1.172459085688334 Energy: 1.0763279202985045 Energy: 1.0684733823240313 Energy: 1.1819878211989792 Energy: 1.172459085689029 Energy: 1.1068680837161713 Energy: 1.1924514014385663 Energy: 1.175124640136574 Energy: 1.1001239095590711 Energy: 1.1068680837165505 Energy: 1.1924514014375551 Energy: 1.1751246401386592 Energy: 1.0996612576863094 Energy: 1.128556186217671 Energy: 1.1821949585630203 Energy: 1.1248086584527175 Energy: 1.0996612576866254 Energy: 1.128556186216976 Energy: 1.1821949585637153 Energy: 1.0626010615729664 Energy: 1.1011875613570727 Energy: 1.1507063381458804 Energy: 1.1318356385786734 Energy: 1.0626010615722714 Energy: 1.1011875613553668 Energy: 1.1507063381468916 Energy: 1.0553698582762687 Energy: 1.1015373735506497 Energy: 1.2734106351211365 Energy: 1.1089615287505943 Energy: 1.055369858276964 Energy: 1.1015373735509657 Energy: 1.2242445215075208 Energy: 1.0552923040422855 Energy: 1.1713967877884977 Energy: 1.2943459498557097 Energy: 1.0983340523943057 Energy: 1.0552923040415905 Energy: 1.1713967877912779 Energy: 1.294345949856089 Energy: 1.0632679497588244 Energy: 1.1221382515363236 Energy: 1.1832641589817827 Energy: 1.1047354791281652 Energy: 1.0632679497578135 Energy: 1.1221382515349336 Energy: 1.1832641589810877 Energy: 1.0967104365698017 Energy: 1.1533689159236131 Energy: 1.2023099323478212 Energy: 1.133276542896049 Energy: 1.0967104365684117 Energy: 1.1533689159218439 Energy: 1.1592576449409742 Energy: 1.109427328560747 Energy: 1.1028569566558624 Energy: 1.1733126646874932 Energy: 1.1674849992003369 Energy: 1.1094273285625162 Energy: 1.1028569566537771 Energy: 1.1733126646891991 Energy: 1.0649215133649503 Energy: 1.07651919712354 Energy: 1.18373278213615 Energy: 1.171536469142708 Energy: 1.0649215133666563 Energy: 1.076519197123224 Energy: 1.1706992167922032 Energy: 1.0759655532936492 Energy: 1.1109528869875693 Energy: 1.2303502179273758 Energy: 1.2059399083502438 Energy: 1.075965553293965 Energy: 1.1109528869916765 Energy: 1.2136796986059801 Energy: 1.0859233429119897 Energy: 1.2436874736289667 Energy: 1.2006273017402906 Energy: 1.193504183976175 Energy: 1.0859233429140749 Energy: 1.243687473628651 Energy: 1.2006273017399747 Energy: 1.0692251000192299 Energy: 1.1839578740339647 Energy: 1.2249998211977904 Energy: 1.1223707685216868 Energy: 1.0692251000185349 Energy: 1.1839578740329535 Energy: 1.2249998211981694 Energy: 1.068473382321946 Energy: 1.181987821197905 Energy: 1.1724590856893449 Energy: 1.0763279202981886 Energy: 1.0684733823233363 Energy: 1.1819878211982842 Energy: 1.172459085689724 Energy: 1.1068680837154763 Energy: 1.192651433894109 Energy: 1.1751246401372692 Energy: 1.1001239095601454 Energy: 1.1068680837165505 Energy: 1.192651433893414 Energy: 1.1751246401393542 Energy: 1.0996612576873204 Energy: 1.130082739887876 Energy: 1.1821949585630203 Energy: 1.1248086584527175 Energy: 1.0996612576873204 Energy: 1.130082739888571 Energy: 1.1821949585633993 Energy: 1.062128546073347 Energy: 1.101187561356757 Energy: 1.1507063381448064 Energy: 1.1318356385783575 Energy: 1.062128546073347 Energy: 1.1011875613563777 Energy: 1.1507063381465754 Energy: 1.0553698582762687 Energy: 1.1015373735509657 Energy: 1.3029392679975653 Energy: 1.1089615287502783 Energy: 1.055369858278038 Energy: 1.1015373735499547 Energy: 1.2959837840446633 Energy: 1.0552923040415905 Energy: 1.1713967877902036 Energy: 1.3208906616772316 Energy: 1.0983340523939897 Energy: 1.0552923040415905 Energy: 1.1713967877929838 Energy: 1.2943459498564047 Energy: 1.0632679497588244 Energy: 1.1221382515367029 Energy: 1.1722054878934962 Energy: 1.1047354791285444 Energy: 1.0632679497578135 Energy: 1.1221382515353127 Energy: 1.1722054878945702 Energy: 1.0967104365687907 Energy: 1.1533689159229181 Energy: 1.169873157054859 Energy: 1.13327654289567 Energy: 1.0967104365670215 Energy: 1.153368915920833 Energy: 1.1592576449440704 Energy: 1.1094273285597362 Energy: 1.0997586489281574 Energy: 1.1733126646874932 Energy: 1.1674849992006526 Energy: 1.1094273285611262 Energy: 1.0997586489285365 Energy: 1.1733126646891991 Energy: 1.066239706433586 Energy: 1.076519197122529 Energy: 1.1706992167904975 Energy: 1.171536469141634 Energy: 1.066239706432575 Energy: 1.076519197122845 Energy: 1.1706992167911923 Energy: 1.0676097947075003 Energy: 1.1109528869868743 Energy: 1.2136796986080651 Energy: 1.2059399083505595 Energy: 1.0676097947071843 Energy: 1.1109528869920555 Energy: 1.2136796986062959 Energy: 1.125053319863891 Energy: 1.243687473628651 Energy: 1.2006273017402906 Energy: 1.1935041839779443 Energy: 1.1250533198628168 Energy: 1.2436874736282717 Energy: 1.2006273017395956 Energy: 1.0692251000185349 Energy: 1.1839578740329535 Energy: 1.2249998211977904 Energy: 1.1162290342160317 Energy: 1.0692251000185349 Energy: 1.1839578740325745 Energy: 1.2249998211991806 Energy: 1.0684733823233363 Energy: 1.181987821197905 Energy: 1.1724590856886499 Energy: 1.0763279202988836 Energy: 1.0684733823243473 Energy: 1.1819878211982842 Energy: 1.172459085689724 Energy: 1.1068680837154763 Energy: 1.1924514014375551 Energy: 1.175124640136574 Energy: 1.1001239095601454 Energy: 1.1068680837165505 Energy: 1.1924514014385663 Energy: 1.1751246401390383 Energy: 1.0996612576873204 Energy: 1.1285561862162807 Energy: 1.1821949585637153 Energy: 1.1248086584520225 Energy: 1.0996612576873204 Energy: 1.128556186216976 Energy: 1.1821949585644105 Energy: 1.0626010615722714 Energy: 1.1011875613563777 Energy: 1.1704696906311247 Energy: 1.1318356385793686 Energy: 1.0626010615722714 Energy: 1.1011875613556825 Energy: 1.1507063381465754 Energy: 1.055369858276648 Energy: 1.1015373735513447 Energy: 1.3320815977587654 Energy: 1.1089615287502783 Energy: 1.055369858277659 Energy: 1.1015373735516607 Energy: 1.2734106351235377 Energy: 1.0552923040405793 Energy: 1.1713967877884977 Energy: 1.3208906616761575 Energy: 1.0983340523932947 Energy: 1.0552923040405793 Energy: 1.1713967877922888 Energy: 1.3095944687396155 Energy: 1.0632679497581294 Energy: 1.1221382515370188 Energy: 1.183264158982857 Energy: 1.1047354791288602 Energy: 1.0632679497571185 Energy: 1.1221382515360079 Energy: 1.1832641589810877 Energy: 1.0967104365698017 Energy: 1.153368915923234 Energy: 1.1592576449423644 Energy: 1.13327654289567 Energy: 1.0967104365684117 Energy: 1.153368915921528 Energy: 1.1592576449433754 Energy: 1.1094273285621372 Energy: 1.1028569566544721 Energy: 1.173312664686798 Energy: 1.1674849992003369 Energy: 1.1094273285625162 Energy: 1.1028569566551671 Energy: 1.1733126646885041 Energy: 1.0649215133642551 Energy: 1.076519197121834 Energy: 1.1706992167898025 Energy: 1.171536469141634 Energy: 1.0649215133659613 Energy: 1.076519197122845 Energy: 1.1706992167918875 Energy: 1.0759655532922592 Energy: 1.1109528869878853 Energy: 1.2136796986087603 Energy: 1.2059399083505595 Energy: 1.07596555329327 Energy: 1.1109528869923717 Energy: 1.2136796986062959 Energy: 1.0859233429123054 Energy: 1.2436874736289667 Energy: 1.2006273017399747 Energy: 1.1935041839782603 Energy: 1.0859233429140749 Energy: 1.243687473628651 Energy: 1.2006273017395956 Energy: 1.0692251000185349 Energy: 1.1839578740325745 Energy: 1.2249998211977904 Energy: 1.1223707685199809 Energy: 1.069225100018156 Energy: 1.1839578740329535 Energy: 1.2249998211991806 minimum gb energy = 1.0552923040405793 eV minimum distance = 2.28340417290383 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.2247909983202379 Energy: 1.1071705459299266 Energy: 1.2368580310114876 Energy: 1.1074291411846675 Energy: 1.2247909983210405 Energy: 1.1071705459295254 Energy: 1.2578365087695855 Energy: 1.1615819025005327 Energy: 1.1513476363864696 Energy: 1.1639813755884736 Energy: 1.0962813650708287 Energy: 1.1615819025001315 Energy: 1.1513476363860686 Energy: 1.1639813755876711 Energy: 1.1537832955877387 Energy: 1.1166592152048447 Energy: 1.2410254954076183 Energy: 1.112753357090326 Energy: 1.1537832955889424 Energy: 1.116659215204042 Energy: 1.2410254954076183 Energy: 1.0945867541553744 Energy: 1.0575226183587474 Energy: 1.2392067715374118 Energy: 1.1221391412551476 Energy: 1.0945867541553744 Energy: 1.057522618357945 Energy: 1.2392067715370103 Energy: 1.1326962614569822 Energy: 1.1184674158824832 Energy: 1.2983749724450662 Energy: 1.0933576684909458 Energy: 1.132696261456581 Energy: 1.1184674158812793 Energy: 1.3116559615671763 Energy: 1.120240629992266 Energy: 1.0726752853487374 Energy: 1.2126066118795988 Energy: 1.1241667578155603 Energy: 1.1202406299930685 Energy: 1.0726752853491384 Energy: 1.2126066118775922 Energy: 1.1236682004902747 Energy: 1.1782992133549555 Energy: 1.1124604811314138 Energy: 1.1433914865570538 Energy: 1.1236682004906762 Energy: 1.1782992133549555 Energy: 1.1124604811322163 Energy: 1.111553483920485 Energy: 1.09484827528653 Energy: 1.3595333272727184 Energy: 1.0865203683300138 Energy: 1.1115534839208865 Energy: 1.0948482752857274 Energy: 1.3595333272727184 Energy: 1.099030799910655 Energy: 1.061411319436294 Energy: 1.199074172761858 Energy: 1.0959275130060147 Energy: 1.0990307999110562 Energy: 1.0614113194366952 Energy: 1.1990741727630616 Energy: 1.10923193463503 Energy: 1.100232631892554 Energy: 1.3041894451568474 Energy: 1.223690400508262 Energy: 1.1092319346358326 Energy: 1.100232631892554 Energy: 1.3041894451564462 Energy: 1.1333244704922607 Energy: 1.0895931440734983 Energy: 1.2310932485265453 Energy: 1.0473241075729793 Energy: 1.1333244704914582 Energy: 1.089593144074301 Energy: 1.2310932485265453 Energy: 1.1526146179743173 Energy: 1.1537855851808674 Energy: 1.2653059561410658 Energy: 1.134902088051304 Energy: 1.1526146179747188 Energy: 1.1537855851820713 Energy: 1.2653059561418685 Energy: 1.1163445138224277 Energy: 1.1241635438054438 Energy: 1.1984784191993096 Energy: 1.0577932019805418 Energy: 1.1163445138220265 Energy: 1.1241635438054438 Energy: 1.1984784191989084 Energy: 1.0618193070917208 Energy: 1.1091318774876138 Energy: 1.247200350060821 Energy: 1.0982763721468352 Energy: 1.0618193070917208 Energy: 1.109131877486811 Energy: 1.2472003500612223 Energy: 1.097958250873914 Energy: 1.0581159449007456 Energy: 1.1984575357537062 Energy: 1.1028303070933323 Energy: 1.097958250873914 Energy: 1.058115944900344 Energy: 1.1984575357533047 Energy: 1.152517749632584 Energy: 1.1349178899525403 Energy: 1.265291736513954 Energy: 1.1431223107548651 Energy: 1.1525177496321828 Energy: 1.1349178899517378 Energy: 1.2652917365151577 Energy: 1.1338587503063497 Energy: 1.0714424350484424 Energy: 1.2311090988888413 Energy: 1.1220112988147366 Energy: 1.1338587503063497 Energy: 1.0714424350496463 Energy: 1.23110909888844 Energy: 1.1175511088877 Energy: 1.226563010043879 Energy: 1.3156128119612662 Energy: 1.1001885989688371 Energy: 1.1175511088877 Energy: 1.2265630100446816 Energy: 1.3156128119604638 Energy: 1.089159912481825 Energy: 1.0958677159855237 Energy: 1.2482358807030403 Energy: 1.0613179743823415 Energy: 1.0891599124802198 Energy: 1.0958677159851224 Energy: 1.2482358807022376 Energy: 1.111551223042244 Energy: 1.0867883376230254 Energy: 1.3436887910468636 Energy: 1.0949181446634788 Energy: 1.1115512230418425 Energy: 1.0867883376230254 Energy: 1.3436887910452586 Energy: 1.1236679149465119 Energy: 1.143318519880854 Energy: 1.2058488875507452 Energy: 1.1731778843627758 Energy: 1.1236679149461104 Energy: 1.143318519882058 Energy: 1.2058488875507452 Energy: 1.1202715468254778 Energy: 1.1255032363230675 Energy: 1.2124908378037058 Energy: 1.0496339889391442 Energy: 1.1202715468254778 Energy: 1.125503236322666 Energy: 1.2124908378037058 Energy: 1.1327277905346012 Energy: 1.094120795869229 Energy: 1.3170510600960756 Energy: 1.1184706401232507 Energy: 1.1327277905346012 Energy: 1.0941207958688277 Energy: 1.3075607691149904 Energy: 1.1043639183610157 Energy: 1.1433256445335067 Energy: 1.2386045404467234 Energy: 1.0575301745215213 Energy: 1.1043639183610157 Energy: 1.1433256445331053 Energy: 1.2386045404471246 Energy: 1.146013989272946 Energy: 1.0962368615419922 Energy: 1.1822897605290863 Energy: 1.1124675571082818 Energy: 1.1460139892725447 Energy: 1.0962368615423934 Energy: 1.2100355674484518 Energy: 1.1436908526553704 Energy: 1.096473367179799 Energy: 1.1636646279476732 Energy: 1.1377762541838599 Energy: 1.1436908526553704 Energy: 1.0964733671785951 Energy: 1.1636646279476732 Energy: 1.2247909983202379 Energy: 1.107170545929124 Energy: 1.3084882052886508 Energy: 1.1074291411846675 Energy: 1.2247909983202379 Energy: 1.1071705459295254 Energy: 1.3232071621749368 Energy: 1.1436679924336488 Energy: 1.1513476363860686 Energy: 1.1639813755876711 Energy: 1.1414760724832957 Energy: 1.1436679924328461 Energy: 1.1513476363864696 Energy: 1.1639813755880724 Energy: 1.1537832955889424 Energy: 1.116659215205647 Energy: 1.2410254954080198 Energy: 1.0962319328631904 Energy: 1.15378329558814 Energy: 1.1166592152048447 Energy: 1.241025495408421 Energy: 1.0945867541553744 Energy: 1.0575226183583462 Energy: 1.239206771536609 Energy: 1.1221391412547466 Energy: 1.0945867541553744 Energy: 1.0575226183575437 Energy: 1.2392067715374118 Energy: 1.132696261456581 Energy: 1.1184674158824832 Energy: 1.3116559615667753 Energy: 1.0933576684901434 Energy: 1.132696261456581 Energy: 1.1184674158816805 Energy: 1.3116559615667753 Energy: 1.1233762441445876 Energy: 1.0490323794984329 Energy: 1.212606611877191 Energy: 1.124166757816363 Energy: 1.1233762441445876 Energy: 1.0490323794996366 Energy: 1.212606611878395 Energy: 1.1236682004902747 Energy: 1.1782992133553565 Energy: 1.1124604811318148 Energy: 1.1433914865570538 Energy: 1.1236682004898735 Energy: 1.1782992133549555 Energy: 1.1124604811314138 Energy: 1.1115534839208865 Energy: 1.0948482752845237 Energy: 1.3595333272731198 Energy: 1.0865203683308162 Energy: 1.111553483920084 Energy: 1.0948482752857274 Energy: 1.3595333272731198 Energy: 1.0990307999114575 Energy: 1.084192593046891 Energy: 1.2481382683757065 Energy: 1.0959275130076198 Energy: 1.099030799910655 Energy: 1.0841925930484961 Energy: 1.199074172763463 Energy: 1.109231934636234 Energy: 1.1002326318917512 Energy: 1.3156847863815169 Energy: 1.2236904005070581 Energy: 1.1092319346346289 Energy: 1.1002326318921527 Energy: 1.3156847863811156 minimum gb energy = 1.0473241075729793 eV minimum distance = 2.29662578332661 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.060399149484672 Energy: 1.0861955925296736 Energy: 1.1553206458048997 Energy: 1.08610447306757 Energy: 1.060399149480883 Energy: 1.0861955925306208 Energy: 1.155320645805847 Energy: 1.0464747058722874 Energy: 1.1195179848493093 Energy: 1.099772313363123 Energy: 1.1156317967216671 Energy: 1.0464747058713402 Energy: 1.1195179848502568 Energy: 1.099772313363123 Energy: 1.0645581530416788 Energy: 1.0074946421630087 Energy: 1.2771844598035005 Energy: 1.0419359906613466 Energy: 1.0645581530426258 Energy: 1.0074946421630087 Energy: 1.2771844598011326 Energy: 1.072425607636746 Energy: 1.0974485688688693 Energy: 1.1153857716543685 Energy: 1.150457369523767 Energy: 1.072425607636746 Energy: 1.0974485688688693 Energy: 1.1153857716557893 Energy: 1.101938164053912 Energy: 1.0579572129871833 Energy: 1.0401323952502777 Energy: 1.0408334830354498 Energy: 1.1019381640567536 Energy: 1.0579572129867094 Energy: 1.0401323952479098 Energy: 1.05447265955508 Energy: 1.063941818424358 Energy: 1.1853146647052228 Energy: 1.2009520610954405 Energy: 1.054472659556027 Energy: 1.0639418184262526 Energy: 1.185314664703802 Energy: 1.2006379030892882 Energy: 1.0409327864749465 Energy: 1.0728989898423527 Energy: 1.0421030285878994 Energy: 1.2006379030901926 Energy: 1.0409327864749465 Energy: 1.023517534305343 Energy: 1.080191685050891 Energy: 1.095498108468498 Energy: 1.1848989109304529 Energy: 1.0954771590888366 Energy: 1.0801916850504174 Energy: 1.0954981084694453 Energy: 1.1848989109304529 Energy: 1.2006828264811988 Energy: 1.0417397033936417 Energy: 1.12394614199372 Energy: 1.0409976167756447 Energy: 1.200682826479778 Energy: 1.0417397033926945 Energy: 1.1239461419913521 Energy: 1.0550187384763896 Energy: 1.2008851816247954 Energy: 1.185141415391234 Energy: 1.06387481678902 Energy: 1.0550187384735479 Energy: 1.2008851816257424 Energy: 1.1851414153931283 Energy: 1.1018804008297818 Energy: 1.041053190695968 Energy: 1.4457557061224282 Energy: 1.0578911637914492 Energy: 1.101880400830729 Energy: 1.0410531906940736 Energy: 1.3586299412007836 Energy: 1.056053063187163 Energy: 1.150146290537886 Energy: 1.1155299967991295 Energy: 1.09949636241813 Energy: 1.0560530631862157 Energy: 1.1501462905369388 Energy: 1.1155299967991295 Energy: 1.063696302637693 Energy: 1.041821530757947 Energy: 1.0928473166954114 Energy: 1.0076769649588135 Energy: 1.063696302636746 Energy: 1.0418215307565264 Energy: 1.0928473166973058 Energy: 1.0463641916263164 Energy: 1.1153827039947102 Energy: 1.0997468669612576 Energy: 1.1196944873317594 Energy: 1.046364191628211 Energy: 1.115382703996131 Energy: 1.0997468669603103 Energy: 1.0603991494827774 Energy: 1.0861955925296736 Energy: 1.155320645802058 Energy: 1.086104473068991 Energy: 1.0603991494837248 Energy: 1.0861955925306208 Energy: 1.1553206458034788 Energy: 1.0464747058732347 Energy: 1.1195179848493093 Energy: 1.0997723133640704 Energy: 1.1156317967221407 Energy: 1.046474705871814 Energy: 1.1195179848502568 Energy: 1.099772313363123 Energy: 1.0645581530416788 Energy: 1.0074946421630087 Energy: 1.2771844598025535 Energy: 1.0419359906613466 Energy: 1.0645581530407315 Energy: 1.0074946421630087 Energy: 1.2771844598011326 Energy: 1.0724256076376928 Energy: 1.0974485688693432 Energy: 1.115385771654842 Energy: 1.150457369523767 Energy: 1.0724256076381666 Energy: 1.0974485688717108 Energy: 1.115385771656263 Energy: 1.1019381640548596 Energy: 1.0579572129867094 Energy: 1.0401323952502777 Energy: 1.0408334830359234 Energy: 1.10193816405628 Energy: 1.0579572129876567 Energy: 1.0401323952450678 Energy: 1.0544726595565008 Energy: 1.0639418184267262 Energy: 1.1853146647052228 Energy: 1.2009520610944935 Energy: 1.0544726595565008 Energy: 1.0639418184267262 Energy: 1.185314664703802 Energy: 1.2006379030888146 Energy: 1.0409327864735256 Energy: 1.0235175343034488 Energy: 1.0421030285855315 Energy: 1.2006379030897618 Energy: 1.0409327864749465 Energy: 1.0235175343048695 Energy: 1.080191685050891 Energy: 1.0954981084680244 Energy: 1.1848989109318735 Energy: 1.0954771590883627 Energy: 1.0801916850499438 Energy: 1.0954981084689717 Energy: 1.1848989109323471 Energy: 1.2006828264807252 Energy: 1.0417397033936417 Energy: 1.1239461419922991 Energy: 1.040997616775171 Energy: 1.2006828264793044 Energy: 1.0417397033931681 Energy: 1.1239461419918257 Energy: 1.0550187384763896 Energy: 1.2008851816233745 Energy: 1.1851414153926547 Energy: 1.063874816787599 Energy: 1.0550187384740215 Energy: 1.2008851816247954 Energy: 1.1851414153926547 Energy: 1.1018804008283611 Energy: 1.0410531906954943 Energy: 1.4525230262976 Energy: 1.0578911637890815 Energy: 1.1018804008283611 Energy: 1.0410531906936002 Energy: 1.4525230262971263 Energy: 1.05605306318811 Energy: 1.1501462905383595 Energy: 1.1155299967986558 Energy: 1.0994963624176564 Energy: 1.0560530631876364 Energy: 1.1501462905369388 Energy: 1.115529996798182 Energy: 1.063696302636746 Energy: 1.0418215307584207 Energy: 1.0928473166944643 Energy: 1.0076769649588135 Energy: 1.063696302637693 Energy: 1.0418215307560528 Energy: 1.0928473166968322 Energy: 1.0463641916258428 Energy: 1.115382703993763 Energy: 1.099746866960784 Energy: 1.1196944873317594 Energy: 1.0463641916277373 Energy: 1.1153827039956574 Energy: 1.0997468669603103 Energy: 1.0603991494837248 Energy: 1.086195592530147 Energy: 1.1553206458030052 Energy: 1.0861044730685172 Energy: 1.0603991494818301 Energy: 1.0861955925310942 Energy: 1.1553206458025316 Energy: 1.046474705872761 Energy: 1.119517984849783 Energy: 1.0997723133635966 Energy: 1.1156317967221407 Energy: 1.0464747058708668 Energy: 1.1195179848512036 Energy: 1.0997723133635966 minimum gb energy = 1.0074946421630087 eV minimum distance = 2.31425333891294 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.0717187286242105 Energy: 1.220026057353446 Energy: 1.0912580154340208 Energy: 1.2149854325509746 Energy: 1.0717187286253602 Energy: 1.220026057353446 Energy: 1.0912580154340208 Energy: 1.12140078512518 Energy: 1.1019849423112842 Energy: 1.1515378191287695 Energy: 1.0203774469272913 Energy: 1.12140078512403 Energy: 1.1019849423112842 Energy: 1.1515378191281949 Energy: 1.0796562570964232 Energy: 1.124213505246508 Energy: 1.1618357733569347 Energy: 1.020389291120487 Energy: 1.0796562570964232 Energy: 1.124213505247083 Energy: 1.1618357733563596 Energy: 1.1817654956711927 Energy: 1.0684934185557862 Energy: 1.2083298627593941 Energy: 1.0429159700074906 Energy: 1.1817654956723427 Energy: 1.0684934185563608 Energy: 1.2083298627605439 Energy: 1.039921984466144 Energy: 1.1001827279248324 Energy: 1.088047376393073 Energy: 1.1265900253127745 Energy: 1.039921984466719 Energy: 1.1001827279248324 Energy: 1.088047376393073 Energy: 1.1818645078121153 Energy: 1.0509950978021736 Energy: 1.1760417074676475 Energy: 1.0685949817868574 Energy: 1.1818645078115406 Energy: 1.0509950978021736 Energy: 1.1760417074676475 Energy: 1.0721874321407017 Energy: 1.1533601519398968 Energy: 1.1063859769551827 Energy: 1.0786856755872103 Energy: 1.0721874321424265 Energy: 1.1533601519416214 Energy: 1.1063859769551827 Energy: 1.0478456546213142 Energy: 1.112120145082069 Energy: 1.1838560938737193 Energy: 1.0626390358235982 Energy: 1.0478456546224642 Energy: 1.1121201450843687 Energy: 1.1838560938731444 Energy: 1.1207975650998758 Energy: 1.0582712242212204 Energy: 1.128414153855957 Energy: 1.1532686675365806 Energy: 1.1207975650981512 Energy: 1.0582712242200707 Energy: 1.128414153855957 Energy: 1.0396282772852117 Energy: 1.0944184284320964 Energy: 1.0727517872075396 Energy: 1.1152443094320195 Energy: 1.0396282772846366 Energy: 1.0944184284332463 Energy: 1.0727517872081143 Energy: 1.1610407784001315 Energy: 1.1459046519994256 Energy: 1.0603368590268816 Energy: 1.0226454452451126 Energy: 1.1610407783984071 Energy: 1.1459046519994256 Energy: 1.0603368590268816 Energy: 1.0323271327472856 Energy: 1.1991888873575784 Energy: 1.1283698995128009 Energy: 1.1184288989597755 Energy: 1.0323271327467105 Energy: 1.1991888873575784 Energy: 1.1283698995116511 Energy: 1.1603803263560448 Energy: 1.1452617576705355 Energy: 1.2377055150022584 Energy: 1.0733617328903229 Energy: 1.1603803263560448 Energy: 1.1452617576693858 Energy: 1.2377055150011085 Energy: 1.0349718034511148 Energy: 1.0802433610294229 Energy: 1.0484401784215887 Energy: 1.1570120690379329 Energy: 1.0349718034516897 Energy: 1.0802433610299977 Energy: 1.0484401784227384 Energy: 1.1664550741822028 Energy: 1.0819021030726013 Energy: 1.1964303262353373 Energy: 1.0237167264178717 Energy: 1.166455074180478 Energy: 1.0819021030731761 Energy: 1.1964303262347624 Energy: 0.995368800710229 Energy: 1.1275718250125686 Energy: 1.196910495261678 Energy: 1.1190419183782958 Energy: 0.995368800710804 Energy: 1.1275718250119937 Energy: 1.1969104952605283 Energy: 1.1591275973759192 Energy: 1.0036267921022595 Energy: 1.16849904301885 Energy: 1.0237121266365579 Energy: 1.1591275973759192 Energy: 1.0036267921022595 Energy: 1.16849904301885 Energy: 0.9935643224740065 Energy: 1.0754080854288146 Energy: 1.0426889873120468 Energy: 1.1088576051729904 Energy: 0.9935643224734315 Energy: 1.0754080854282397 Energy: 1.0426889873120468 Energy: 1.089172007045754 Energy: 1.068623538258638 Energy: 1.1738604461889803 Energy: 1.043267946579441 Energy: 1.0891720070463289 Energy: 1.068623538258638 Energy: 1.1738604461901303 Energy: 0.9906735152069186 Energy: 1.1382707410442925 Energy: 1.035836576265254 Energy: 1.1383462433912335 Energy: 0.9906735152074936 Energy: 1.1382707410442925 Energy: 1.035836576266404 Energy: 1.0892248260616528 Energy: 1.0494784565100566 Energy: 1.174177956815791 Energy: 1.0684903361776186 Energy: 1.089224826061078 Energy: 1.0494784565106314 Energy: 1.1741779568152162 Energy: 0.9935979225219005 Energy: 1.108902491241287 Energy: 1.0426363159381347 Energy: 1.0778868581801822 Energy: 0.9935979225230505 Energy: 1.108902491242437 Energy: 1.0426363159398593 Energy: 1.1590001881285428 Energy: 1.023635197191039 Energy: 1.2906163869471858 Energy: 1.0036444389439023 Energy: 1.1590001881285428 Energy: 1.0236351971898892 Energy: 1.2906163869483358 Energy: 0.9966698050687913 Energy: 1.1193175584317674 Energy: 1.1974158577653382 Energy: 1.1275689295588873 Energy: 0.9966698050682163 Energy: 1.1193175584329171 Energy: 1.1974158577647631 Energy: 1.1675138031861891 Energy: 1.0237224080739367 Energy: 1.259355803710771 Energy: 1.0822220493542831 Energy: 1.167513803186764 Energy: 1.0237224080727867 Energy: 1.2593558037096213 minimum gb energy = 0.9906735152069186 eV minimum distance = 2.30088972893082 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.1362100393985985 Energy: 1.1690113973527754 Energy: 1.1453899110657382 Energy: 1.169530045714767 Energy: 1.1362100393953902 Energy: 1.1690113973527754 Energy: 1.1453899110625296 Energy: 1.135970588809442 Energy: 1.150491637677636 Energy: 1.1995446602614526 Energy: 1.162158293027325 Energy: 1.135970588809442 Energy: 1.1504916376808447 Energy: 1.1995446602646611 Energy: 1.1366506133809822 Energy: 1.1216915977257427 Energy: 1.1545798083341319 Energy: 1.1284067761702863 Energy: 1.1366506133809822 Energy: 1.1216915977289512 Energy: 1.1545798083341319 Energy: 1.0615655266700181 Energy: 1.1565884769926091 Energy: 1.2344102732070925 Energy: 1.152800314769237 Energy: 1.0615655266668094 Energy: 1.1565884769926091 Energy: 1.2344102732070925 Energy: 1.1447900689130153 Energy: 1.0804567096347635 Energy: 1.1068507577046822 Energy: 1.0796386106141247 Energy: 1.1447900689098067 Energy: 1.0804567096315547 Energy: 1.1068507577046822 Energy: 1.0692877992563794 Energy: 1.1056538544711088 Energy: 1.1868034493269755 Energy: 1.1314426631796481 Energy: 1.0692877992595877 Energy: 1.1056538544711088 Energy: 1.1868034493269755 Energy: 1.1366481591925608 Energy: 1.080552540334764 Energy: 1.1185705024513684 Energy: 1.0853859081043962 Energy: 1.1366481591893522 Energy: 1.0805525403283467 Energy: 1.133322474751629 Energy: 1.0299387654859118 Energy: 1.1251310948827122 Energy: 1.2225462431160097 Energy: 1.1255018513363675 Energy: 1.029938765482703 Energy: 1.1251310948858624 Energy: 1.2225462431160097 Energy: 1.1368068748771474 Energy: 1.0519332375787978 Energy: 1.1610288352230111 Energy: 1.0824201452566304 Energy: 1.1368068748803561 Energy: 1.0519332375820063 Energy: 1.1610288352230111 Energy: 1.0518593789092556 Energy: 1.118234257695151 Energy: 1.2500918789249447 Energy: 1.1414855678626503 Energy: 1.0518593789092556 Energy: 1.118234257695151 Energy: 1.2500918789281534 Energy: 1.1108435577592732 Energy: 1.1355621343782818 Energy: 1.2629048293059895 Energy: 1.057603816520097 Energy: 1.1108435577624818 Energy: 1.1355621343814903 Energy: 1.2629048293059895 Energy: 1.051872512696505 Energy: 1.0959781447537 Energy: 1.3011935202557225 Energy: 1.1168554486696092 Energy: 1.0518725126997135 Energy: 1.0959781447504917 Energy: 1.3011935202557225 Energy: 1.128199699994124 Energy: 1.1137565542655194 Energy: 1.2811892844475223 Energy: 1.1021425502593556 Energy: 1.1281996999973327 Energy: 1.1137565542655194 Energy: 1.281189284444314 Energy: 1.1301105332082864 Energy: 1.1965104494677936 Energy: 1.3120360497760961 Energy: 1.1856235624020435 Energy: 1.1301105332114951 Energy: 1.1965104494710024 Energy: 1.3120360497760961 Energy: 1.1282117825471656 Energy: 1.1362934426057136 Energy: 1.285361878117586 Energy: 1.1965700038778624 Energy: 1.1282117825471656 Energy: 1.1362934426089222 Energy: 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1.2326185427640695 Energy: 1.1695638301795586 Energy: 1.0809552903310333 Energy: 1.1612894887957197 Energy: 1.2326185427576524 Energy: 1.1511258649210374 Energy: 1.1075713897264003 Energy: 1.2749060439094375 Energy: 1.1357850896623636 Energy: 1.1511258649242462 Energy: 1.1075713897231916 Energy: 1.2749060439094375 Energy: 1.0988125219733493 Energy: 1.113724905181686 Energy: 1.2785725081548263 Energy: 1.1041279145307268 Energy: 1.098812521976558 Energy: 1.113724905181686 Energy: 1.2785725081548263 Energy: 1.058442755986303 Energy: 1.1080947966943258 Energy: 1.2668609015997854 Energy: 1.1373006292662755 Energy: 1.0584427559830942 Energy: 1.1080947966943258 Energy: 1.2668609015965766 minimum gb energy = 1.026825083753788 eV minimum distance = 2.27665621596407 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.153347629394796 Energy: 1.1536200175209497 Energy: 0.9234205266598007 Energy: 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0.9480663948472843 Energy: 1.1536200175202262 Energy: 1.153347629394796 Energy: 1.153620017519503 Energy: 0.9480663948639232 Energy: 1.1533476293955192 Energy: 1.1536200175216733 Energy: 0.9480663948899338 Energy: 1.153620017519503 Energy: 1.153347629394796 Energy: 1.1536200175209497 Energy: 0.9480663948429437 Energy: 1.153347629394796 Energy: 1.1536200175209497 Energy: 0.9480663949579032 Energy: 1.153620017519503 Energy: 1.1533476293933491 Energy: 1.1536200175187794 Energy: 0.9480663949673077 Energy: 1.153347629394796 Energy: 1.1536200175202262 Energy: 0.948066394829922 Energy: 1.1536200175209497 Energy: 1.153347629394796 Energy: 1.153620017519503 Energy: 0.9480663948328157 minimum gb energy = 0.9234205266598007 eV minimum distance = 2.38654259234476 Angstroms sigma value = 23