Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.452464193105698 cohesive_energy=4.501689179231084 mass=58.6934 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: 2.47646694817583e-12 eV ======================================== theta = 0.0 ======================================== Energy: 0.02338526888259065 Energy: 0.6711895059116453 Energy: 1.3538228958996135 Energy: 0.6710896932939862 Energy: 0.023385268885335635 Energy: 0.6711895059089003 Energy: 0.6950531384050342 Energy: 0.6948045468619419 Energy: 0.02427020207203787 Energy: 0.40197167216561214 Energy: 0.024364982853166753 Energy: 0.694804546864687 Energy: 0.024270202074782858 Energy: 0.40197167216561214 Energy: 0.02338526888259065 Energy: 0.6711895059089003 Energy: 0.6950531384022892 Energy: 0.6710896932994761 Energy: 0.023385268885335635 Energy: 0.6711895059089003 Energy: 0.6950531384050342 Energy: 0.6948045468619419 Energy: 0.02427020207203787 Energy: 0.40197167216561214 Energy: 0.02436498285591174 Energy: 0.6948045468619419 Energy: 0.024270202074782858 Energy: 0.40197167216561214 Energy: 0.02338526888259065 Energy: 0.6711895059116453 Energy: 0.6950531384022892 Energy: 0.6710896932939862 Energy: 0.023385268885335635 Energy: 0.6711895059089003 Energy: 0.6950531384050342 Energy: 0.694804546864687 Energy: 0.02427020207203787 Energy: 0.40197167216561214 Energy: 0.02436498285591174 Energy: 0.6948045468619419 Energy: 0.024270202074782858 Energy: 0.40197167216561214 minimum gb energy = 0.02338526888259065 eV minimum distance = 2.41696485730225 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.2228651599718432 Energy: 1.2179801412797202 Energy: 1.3579807112500286 Energy: 1.2113995906728932 Energy: 1.2228651599751967 Energy: 1.2179801412797202 Energy: 1.36163579484998 Energy: 1.1263881821876514 Energy: 1.1386964269984767 Energy: 1.235724647440739 Energy: 1.1702086733143364 Energy: 1.1263881821943584 Energy: 1.1386964269917699 Energy: 1.2357246474239714 Energy: 1.1159032795069104 Energy: 1.1195834148607655 Energy: 1.3156674034407403 Energy: 1.0978703245353603 Energy: 1.1159032794834356 Energy: 1.119583414887594 Energy: 1.3156674034273261 Energy: 1.1989900815905015 Energy: 1.1770278058581825 Energy: 1.2518762157036383 Energy: 1.1431935252681031 Energy: 1.1989900815804406 Energy: 1.1770278058514754 Energy: 1.2518762157103454 Energy: 1.1124053699332574 Energy: 1.0982879245194117 Energy: 1.3047129585802417 Energy: 1.1129470612163566 Energy: 1.112405369909783 Energy: 1.0982879245227655 Energy: 1.304712958563474 Energy: 1.160039083969083 Energy: 1.1553371309377403 Energy: 1.227110084254987 Energy: 1.1412912459547433 Energy: 1.1600390839790828 Energy: 1.155337130924326 Energy: 1.2271100842583404 Energy: 1.119546380761633 Energy: 1.1514848009836491 Energy: 1.3209139370707403 Energy: 1.1766424579888763 Energy: 1.1195463807582795 Energy: 1.1514848009903562 Energy: 1.3209139370573262 Energy: 1.1145881672635707 Energy: 1.1158464172085119 Energy: 1.3071927456447165 Energy: 1.1095597463936933 Energy: 1.1145881672669244 Energy: 1.1158464171917442 Energy: 1.3071927456413628 Energy: 1.102085824353793 Energy: 1.1276449268232152 Energy: 1.3125098974995655 Energy: 1.1207288712694072 Energy: 1.102085824353793 Energy: 1.127644926809801 Energy: 1.3125098974828586 Energy: 1.12112532108718 Energy: 1.139726608466086 Energy: 1.3318114280260465 Energy: 1.1391563025756963 Energy: 1.1211253210569982 Energy: 1.139726608459379 Energy: 1.3318114280026325 Energy: 1.1276885656978433 Energy: 1.1523203863515203 Energy: 1.2226011643105907 Energy: 1.1561436144101267 Energy: 1.1276885656911362 Energy: 1.1523203863481668 Energy: 1.2226011643139443 Energy: 1.1579194036526252 Energy: 1.1749626393705335 Energy: 1.3333617484997407 Energy: 1.10499363938151 Energy: 1.1579194036325042 Energy: 1.1749626393772405 Energy: 1.3333617484863265 Energy: 1.2291019659369162 Energy: 1.1853692388278407 Energy: 1.2965727009877965 Energy: 1.1514124015183498 Energy: 1.2291019659235631 Energy: 1.185369238831194 Energy: 1.2965727009911503 Energy: 1.1335755534573575 Energy: 1.1466922942190514 Energy: 1.2965729966280801 Energy: 1.1192101092052054 Energy: 1.1335755534573575 Energy: 1.1466922942190514 Energy: 1.2965729966314337 Energy: 1.1293322271191888 Energy: 1.1326910494480926 Energy: 1.2727436568783268 Energy: 1.1270056075264168 Energy: 1.1293322271191888 Energy: 1.1326910494682136 Energy: 1.2727436568716195 Energy: 1.1568471273715024 Energy: 1.1810768252301862 Energy: 1.3359423844742568 Energy: 1.286850644697187 Energy: 1.1568471273748557 Energy: 1.1810768252335395 Energy: 1.3359423844742568 Energy: 1.1366738904804599 Energy: 1.1244514445073173 Energy: 1.2079160286347819 Energy: 1.1718810597310234 Energy: 1.1366738904971665 Energy: 1.1244514445207314 Energy: 1.207916028641489 Energy: 1.1251120159052823 Energy: 1.0975718653731161 Energy: 1.3268605154911413 Energy: 1.1090420478686724 Energy: 1.1251120158985752 Energy: 1.0975718653831767 Energy: 1.3268605155012017 Energy: 1.1483705994636204 Energy: 1.1407805700941496 Energy: 1.3365576996193744 Energy: 1.1277866612164444 Energy: 1.1483705994703275 Energy: 1.14078057008415 Energy: 1.3365576996093138 Energy: 1.113091413347812 Energy: 1.0974589739301335 Energy: 1.2572552796019165 Energy: 1.1093271255096406 Energy: 1.1130914133343977 Energy: 1.097458973950255 Energy: 1.2572552796086234 Energy: 1.1157013030059781 Energy: 1.1521427791416277 Energy: 1.2697881474533799 Energy: 1.1266051013727187 Energy: 1.115701303016039 Energy: 1.1521427791483347 Energy: 1.269788147460087 Energy: 1.1242994162022553 Energy: 1.1456722710140248 Energy: 1.314258213344753 Energy: 1.1420160537143036 Energy: 1.1242994161955482 Energy: 1.1456722710140248 Energy: 1.3142582133279852 Energy: 1.1268608249146659 Energy: 1.1176399124628649 Energy: 1.3390152946340383 Energy: 1.112298767218742 Energy: 1.1268608248911913 Energy: 1.1176399124695717 Energy: 1.3390152946373919 Energy: 1.1548713024168276 Energy: 1.1530286411735842 Energy: 1.236619459574726 Energy: 1.1550450642115295 Energy: 1.1548713024168276 Energy: 1.1530286411769377 Energy: 1.2366194595713726 Energy: 1.1175427635749784 Energy: 1.1436879305081962 Energy: 1.3156671237192585 Energy: 1.1311238633184697 Energy: 1.1175427635917459 Energy: 1.1436879304813676 Energy: 1.3156671237226119 Energy: 1.1404086088301386 Energy: 1.1562417407907568 Energy: 1.2339647422140791 Energy: 1.1841357583360874 Energy: 1.1404086088167245 Energy: 1.156241740797464 Energy: 1.233964742207372 Energy: 1.1926537169791216 Energy: 1.1434526963942258 Energy: 1.331930781908814 Energy: 1.118213451087146 Energy: 1.192653716985829 Energy: 1.1434526964042253 Energy: 1.3319307819121673 Energy: 1.190418222020925 Energy: 1.2623266272584341 Energy: 1.2855168672934492 Energy: 1.251085569903256 Energy: 1.1904182220075108 Energy: 1.2623266272651412 Energy: 1.2855168672934492 Energy: 1.1450362122116764 Energy: 1.133710616268599 Energy: 1.3305342691746624 Energy: 1.1103801117760403 Energy: 1.1450362122083229 Energy: 1.1337106162551849 Energy: 1.330534269171309 Energy: 1.134827439557403 Energy: 1.1416238154909195 Energy: 1.2990946974859967 Energy: 1.1495139961173582 Energy: 1.1348274395406355 Energy: 1.1416238155076264 Energy: 1.29909469748935 Energy: 1.1385748439685348 Energy: 1.1583671121075487 Energy: 1.2700042800572395 Energy: 1.189933125241131 Energy: 1.1385748439618277 Energy: 1.1583671121041952 Energy: 1.2700042800673002 Energy: 1.1374448777310324 Energy: 1.1366163524940074 Energy: 1.1953323397555287 Energy: 1.1339624628760943 Energy: 1.137444877734386 Energy: 1.1366163525007142 Energy: 1.195332339745468 Energy: 1.1341001318348936 Energy: 1.1539728273191932 Energy: 1.3341547603994264 Energy: 1.1116067516979107 Energy: 1.1341001318348936 Energy: 1.1539728273326073 Energy: 1.3341547603960728 Energy: 1.1314187618063316 Energy: 1.137632612317455 Energy: 1.3153739966691609 Energy: 1.131474808631786 Energy: 1.1314187618063316 Energy: 1.1376326123208087 Energy: 1.3153739966624538 Energy: 1.1040974386435238 Energy: 1.099085703720552 Energy: 1.2337220442154175 Energy: 1.148856657621998 Energy: 1.10409743863011 Energy: 1.099085703720552 Energy: 1.233722044212064 Energy: 1.1190448192941267 Energy: 1.1602499346672925 Energy: 1.3057010733729304 Energy: 1.1347800560631849 Energy: 1.1190448192974802 Energy: 1.1602499346739996 Energy: 1.3057010734031123 Energy: 1.1106313953224134 Energy: 1.1317889334566045 Energy: 1.3181282661406857 Energy: 1.131050023834549 Energy: 1.1106313953224134 Energy: 1.1317889334633113 Energy: 1.3181282661507463 Energy: 1.1225954975204135 Energy: 1.1471021524891771 Energy: 1.3270499544442114 Energy: 1.1098326605918027 Energy: 1.1225954975137065 Energy: 1.1471021524925307 Energy: 1.3270499544475651 Energy: 1.1707252256063316 Energy: 1.1515926251297501 Energy: 1.271785684738416 Energy: 1.142570369077002 Energy: 1.170725225602978 Energy: 1.151592625116336 Energy: 1.2717856847417697 Energy: 1.1592076058448268 Energy: 1.1888949686812775 Energy: 1.3178447920682645 Energy: 1.149722220988799 Energy: 1.1592076058548877 Energy: 1.1888949686812775 Energy: 1.3178447920783254 Energy: 1.1458731892111784 Energy: 1.143395063995229 Energy: 1.2503204938443235 Energy: 1.1588424555811219 Energy: 1.145873189201118 Energy: 1.1433950639918755 Energy: 1.2503204938610912 Energy: 1.1598533146121586 Energy: 1.12908455545506 Energy: 1.2951456758939943 Energy: 1.1346858441977503 Energy: 1.1598533146121586 Energy: 1.1290845554584137 Energy: 1.295145675890641 Energy: 1.2337065902357445 Energy: 1.1647157013099523 Energy: 1.2720879272338181 Energy: 1.161973035306513 Energy: 1.2337065902357445 Energy: 1.1647157013133056 Energy: 1.2720879272238186 Energy: 1.1473550475709977 Energy: 1.1153566187146542 Energy: 1.3542254424860316 Energy: 1.1390435357336535 Energy: 1.1473550475844116 Energy: 1.1153566187113007 Energy: 1.3542254424893851 Energy: 1.0988089916564685 Energy: 1.1310982336023483 Energy: 1.3008015881672892 Energy: 1.1300884819788222 Energy: 1.0988089916732362 Energy: 1.1310982335922877 Energy: 1.300801588147168 Energy: 1.1199673993718462 Energy: 1.1557681649560643 Energy: 1.3364546763775702 Energy: 1.2097143102293972 Energy: 1.1199673993550783 Energy: 1.1557681649560643 Energy: 1.3364546763842773 Energy: 1.0985644019586989 Energy: 1.1326494413415136 Energy: 1.2399286503172675 Energy: 1.0944597463264192 Energy: 1.0985644019654057 Energy: 1.1326494413248072 Energy: 1.2399286503105604 minimum gb energy = 1.0944597463264192 eV minimum distance = 2.14783823259355 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.090668551870879 Energy: 1.1341730163060086 Energy: 1.3474346117421037 Energy: 1.1469728534330093 Energy: 1.0906685518556527 Energy: 1.1341730163250416 Energy: 1.3569986859503245 Energy: 1.0910157458190328 Energy: 1.1251802541312244 Energy: 1.2887878887432738 Energy: 1.1474911886888468 Energy: 1.0910157458304528 Energy: 1.1251802541388376 Energy: 1.2887878887394673 Energy: 1.13122532569614 Energy: 1.126767534315388 Energy: 1.252572689293262 Energy: 1.0872877545160362 Energy: 1.1312253257037532 Energy: 1.1267675343230015 Energy: 1.252572689281842 Energy: 1.1261238435058316 Energy: 1.1452393125013307 Energy: 1.2699553431879076 Energy: 1.1187761188632477 Energy: 1.1261238435134449 Energy: 1.145239312497524 Energy: 1.2564028888437841 Energy: 1.1384565516739709 Energy: 1.1062648244871942 Energy: 1.2366945990028602 Energy: 1.1355222938427898 Energy: 1.1384565516777772 Energy: 1.106264824479581 Energy: 1.2366945990028602 Energy: 1.0956718905230651 Energy: 1.0999430743943324 Energy: 1.240181697886777 Energy: 1.1382570644862484 Energy: 1.0956718905420983 Energy: 1.0999430743829126 Energy: 1.240181697905741 Energy: 1.087030686401543 Energy: 1.1268966256378286 Energy: 1.3320815923434546 Energy: 1.1429032674487896 Energy: 1.0870306863939299 Energy: 1.126896625641635 Energy: 1.3320815923320346 Energy: 1.0869614103565228 Energy: 1.1502015880285943 Energy: 1.319949526283022 Energy: 1.1277865620352292 Energy: 1.0869614103489098 Energy: 1.1502015880285943 Energy: 1.3199495262868286 Energy: 1.0984932875487166 Energy: 1.1343965237116271 Energy: 1.2265109018953857 Energy: 1.090184864573222 Energy: 1.0984932875601363 Energy: 1.1343965237116271 Energy: 1.206705152558812 Energy: 1.1176780844024725 Energy: 1.1728332709881484 Energy: 1.2758508692195045 Energy: 1.0898228655127737 Energy: 1.1176780844062795 Energy: 1.1728332710071812 Energy: 1.2846180687982471 Energy: 1.126362113250032 Energy: 1.1439879350068425 Energy: 1.131998846509597 Energy: 1.105536748215128 Energy: 1.126362113230999 Energy: 1.1439879350144555 Energy: 1.1319988464867572 Energy: 1.1411645395094805 Energy: 1.1030881999811082 Energy: 1.3053804732215941 Energy: 1.1112182068997738 Energy: 1.1411645395094805 Energy: 1.1030881999658817 Energy: 1.3053804732177876 Energy: 1.0762056359279482 Energy: 1.141943020395642 Energy: 1.3293911599115467 Energy: 1.1243109335264831 Energy: 1.0762056359165282 Energy: 1.1419430204032552 Energy: 1.329391159900127 Energy: 1.0651283199716848 Energy: 1.1341730163060086 Energy: 1.342929373630784 Energy: 1.1469728534253962 Energy: 1.0651283199907178 Energy: 1.1341730163326549 Energy: 1.347376973531304 Energy: 1.0910157458190328 Energy: 1.1251802541236111 Energy: 1.2887878887394673 Energy: 1.1399943399861814 Energy: 1.0910157458304528 Energy: 1.1251802541312244 Energy: 1.2887878887319233 Energy: 1.1312253256923335 Energy: 1.1267675343115817 Energy: 1.252572689281842 Energy: 1.0872877545236495 Energy: 1.1312253257037532 Energy: 1.126767534326808 Energy: 1.2525726892742288 Energy: 1.1261238435096381 Energy: 1.1466862917484932 Energy: 1.2564028888589414 Energy: 1.1187761188670542 Energy: 1.1261238435172514 Energy: 1.14668629174088 Energy: 1.2564028888437841 Energy: 1.1384565516777772 Energy: 1.1081402524492407 Energy: 1.2366945989990534 Energy: 1.1355222938465963 Energy: 1.1384565516777772 Energy: 1.1081402524378903 Energy: 1.2366945989990534 Energy: 1.0956484489487404 Energy: 1.0999430743943324 Energy: 1.2401816978905837 Energy: 1.1382570644900551 Energy: 1.0956484489373206 Energy: 1.0999430743829126 Energy: 1.2401816979095475 Energy: 1.0870306863977366 Energy: 1.126896625641635 Energy: 1.3360156789133897 Energy: 1.1429032674411765 Energy: 1.0870306863863168 Energy: 1.126896625641635 Energy: 1.3360156789057767 Energy: 1.0869614103565228 Energy: 1.1502015880285943 Energy: 1.3210571653045389 Energy: 1.127786562027616 Energy: 1.0869614103413656 Energy: 1.1502015880247878 Energy: 1.321057165293188 Energy: 1.09849328754491 Energy: 1.1343965237192402 Energy: 1.2337871230296362 Energy: 1.090184864573222 Energy: 1.0984932875525233 Energy: 1.1343965237154334 Energy: 1.2337871230296362 Energy: 1.117678084398666 Energy: 1.1728332709957614 Energy: 1.2450968713251105 Energy: 1.0898228655127737 Energy: 1.117678084410086 Energy: 1.1728332710109186 Energy: 1.2450968713327235 Energy: 1.126362113250032 Energy: 1.1413305586867826 Energy: 1.1204869401848103 Energy: 1.105536748215128 Energy: 1.1263621132271926 Energy: 1.141330558679169 Energy: 1.12048694019623 Energy: 1.1398079058938546 Energy: 1.1030881999773015 Energy: 1.2587359612227293 Energy: 1.1112182069035805 Energy: 1.1398079059014679 Energy: 1.1030881999582685 Energy: 1.2587359612417626 Energy: 1.0836126069651542 Energy: 1.1419430203994487 Energy: 1.2681777551124178 Energy: 1.1243109335226764 Energy: 1.0836126069688914 Energy: 1.141943020407062 Energy: 1.268177755097191 Energy: 1.090668551870879 Energy: 1.1341730163136219 Energy: 1.342929373630784 Energy: 1.1469728534253962 Energy: 1.090668551859459 Energy: 1.1341730163326549 Energy: 1.342929373619364 Energy: 1.0910157458190328 Energy: 1.1251802541274178 Energy: 1.2887878887356607 Energy: 1.1474911886888468 Energy: 1.091015745826646 Energy: 1.1251802541388376 Energy: 1.2887878887319233 Energy: 1.1312253256923335 Energy: 1.126767534315388 Energy: 1.2525726892856488 Energy: 1.087287754527456 Energy: 1.13122532569614 Energy: 1.1267675343306147 Energy: 1.2525726892742288 Energy: 1.1261238435058316 Energy: 1.1452393125013307 Energy: 1.2564028888665544 Energy: 1.1187761188670542 Energy: 1.1261238435172514 Energy: 1.1452393125013307 Energy: 1.2564028888475907 Energy: 1.1384565516739709 Energy: 1.1062648244910007 Energy: 1.2366945989990534 Energy: 1.135522293850403 Energy: 1.1384565516777772 Energy: 1.106264824479581 Energy: 1.2366945989990534 Energy: 1.0956718905230651 Energy: 1.0999430743905259 Energy: 1.2493010167098724 Energy: 1.1382570644900551 Energy: 1.0956718905420983 Energy: 1.099943074379106 Energy: 1.2493010166984526 Energy: 1.0870306863977366 Energy: 1.126896625641635 Energy: 1.338285241881522 Energy: 1.142903267444983 Energy: 1.0870306863863168 Energy: 1.1268966256453725 Energy: 1.3382852418739086 Energy: 1.0869614103527163 Energy: 1.1502015880324008 Energy: 1.3210571653083452 Energy: 1.127786562039036 Energy: 1.0869614103413656 Energy: 1.1502015880247878 Energy: 1.321057165293188 Energy: 1.09849328754491 Energy: 1.1343965237154334 Energy: 1.2267602188992093 Energy: 1.090184864573222 Energy: 1.0984932875525233 Energy: 1.1343965237116271 Energy: 1.2267602188954028 Energy: 1.1176780844024725 Energy: 1.1728332709881484 Energy: 1.2183725757689374 Energy: 1.089822865520387 Energy: 1.117678084410086 Energy: 1.1728332710109186 Energy: 1.2183725757689374 Energy: 1.1263621132538386 Energy: 1.1439879350030357 Energy: 1.1204869401924231 Energy: 1.1055367482189347 Energy: 1.1263621132271926 Energy: 1.1439879350106492 Energy: 1.120486940203843 Energy: 1.1411645395209005 Energy: 1.1030881999773015 Energy: 1.2494854637544055 Energy: 1.111218206895967 Energy: 1.1411645395209005 Energy: 1.103088199962075 Energy: 1.249485463758143 Energy: 1.0762056359279482 Energy: 1.1419430204032552 Energy: 1.2681777551124178 Energy: 1.1243109335264831 Energy: 1.076205635908915 Energy: 1.1419430204032552 Energy: 1.2681777551009978 Energy: 1.0651283199716848 Energy: 1.1341730163060086 Energy: 1.3429293736231704 Energy: 1.1469728534292027 Energy: 1.0651283199907178 Energy: 1.1341730163250416 Energy: 1.342929373619364 Energy: 1.0910157458190328 Energy: 1.1251802541274178 Energy: 1.2887878887432738 Energy: 1.1399943399861814 Energy: 1.091015745826646 Energy: 1.1251802541388376 Energy: 1.2887878887356607 minimum gb energy = 1.0651283199716848 eV minimum distance = 2.16815937364289 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.2090533136057287 Energy: 1.1838827414961224 Energy: 1.3318553102694566 Energy: 1.151275776606218 Energy: 1.2090533136070472 Energy: 1.183882741504034 Energy: 1.1987794722349867 Energy: 1.1781401755315195 Energy: 1.160920599764729 Energy: 1.1750838761469595 Energy: 1.1742921485315525 Energy: 1.1781401755354752 Energy: 1.160920599770443 Energy: 1.1750838773486083 Energy: 1.1739381007891099 Energy: 1.1307668208193074 Energy: 1.352693069816691 Energy: 1.1525411727864743 Energy: 1.173938100789989 Energy: 1.1307668208232633 Energy: 1.3390322223401065 Energy: 1.169844685968396 Energy: 1.1348402444831105 Energy: 1.3130636486083505 Energy: 1.110617423055587 Energy: 1.169844685967517 Energy: 1.1348402444809127 Energy: 1.3130636486180205 Energy: 1.184636802669908 Energy: 1.1700825492153604 Energy: 1.2833446565531095 Energy: 1.1468181206764834 Energy: 1.1846368026615566 Energy: 1.170082549220635 Energy: 1.2525091302442886 Energy: 1.1289627794462618 Energy: 1.1474478175814846 Energy: 1.161785357735744 Energy: 1.1447897152995354 Energy: 1.1289627794515367 Energy: 1.14744781758588 Energy: 1.1617853577401394 Energy: 1.143654920877626 Energy: 1.2282444213961434 Energy: 1.2880514980797355 Energy: 1.1495434994765106 Energy: 1.143654920876747 Energy: 1.2282444213908688 Energy: 1.3226681485532459 Energy: 1.140027882697978 Energy: 1.1559372385618167 Energy: 1.3863025362725383 Energy: 1.1792918295392019 Energy: 1.1400278826953407 Energy: 1.1559372385626956 Energy: 1.3863025362804502 Energy: 1.1736655840865782 Energy: 1.130314545877635 Energy: 1.2584485547099398 Energy: 1.1411796168751493 Energy: 1.1736655840852597 Energy: 1.130314545874558 Energy: 1.2584485547064237 Energy: 1.1367438786927109 Energy: 1.177834972065393 Energy: 1.3562691520790628 Energy: 1.1616017289181804 Energy: 1.1367438786883155 Energy: 1.177834972064514 Energy: 1.3562691520786234 Energy: 1.2518618521336522 Energy: 1.1648852538837688 Energy: 1.2914689678817537 Energy: 1.135757629256573 Energy: 1.2518618521354103 Energy: 1.1648852538816112 Energy: 1.2914689678896654 Energy: 1.183949159933812 Energy: 1.2141183259377337 Energy: 1.2532887722463797 Energy: 1.2162384213454762 Energy: 1.1839491599438816 Energy: 1.214118325934657 Energy: 1.2532887722498962 Energy: 1.1401029403893757 Energy: 1.1702534481522415 Energy: 1.2941837682537427 Energy: 1.1506926052909363 Energy: 1.140102940384101 Energy: 1.170253448146088 Energy: 1.294183768252424 Energy: 1.1437911175495559 Energy: 1.1527290101869807 Energy: 1.325602460855392 Energy: 1.1654766606510623 Energy: 1.1437911175548305 Energy: 1.1527290101953322 Energy: 1.325602460850557 Energy: 1.2144963821419965 Energy: 1.136362460807748 Energy: 1.2982788901629296 Energy: 1.1207394362766396 Energy: 1.2144963821499084 Energy: 1.136362460806869 Energy: 1.2982788901668856 Energy: 1.2139740697349228 Energy: 1.1676447084167667 Energy: 1.2265229122441588 Energy: 1.1799437256780545 Energy: 1.2139740697283294 Energy: 1.167644708418525 Energy: 1.2265229122441588 Energy: 1.1869494403084655 Energy: 1.1518591958050086 Energy: 1.1639296666549883 Energy: 1.1600281621859883 Energy: 1.1869494403058283 Energy: 1.1518591958050086 Energy: 1.1639296666615815 Energy: 1.1358556370314516 Energy: 1.2279591046135039 Energy: 1.341468936880359 Energy: 1.1766889599258583 Energy: 1.1358556370283748 Energy: 1.227959104618339 Energy: 1.3414689368772823 Energy: 1.1672201356623617 Energy: 1.1569135975024583 Energy: 1.330243286095756 Energy: 1.1798731654771106 Energy: 1.1672201356680758 Energy: 1.1569135974985023 Energy: 1.330243286100591 Energy: 1.1745163008264372 Energy: 1.126037449843848 Energy: 1.267334525528187 Energy: 1.1254684031274138 Energy: 1.1745163008216022 Energy: 1.126037449848683 Energy: 1.2673345255246706 Energy: 1.1471190098850341 Energy: 1.1538788521919776 Energy: 1.3396544658711258 Energy: 1.1638170310540488 Energy: 1.1471190098775617 Energy: 1.1538788521924173 Energy: 1.339654465867609 Energy: 1.1696335656019994 Energy: 1.1659395025621149 Energy: 1.2938053645836949 Energy: 1.1376258770512442 Energy: 1.1696335655998016 Energy: 1.1659395025682686 Energy: 1.2938053645898484 Energy: 1.1708674833508992 Energy: 1.1703030116991868 Energy: 1.3180559375203447 Energy: 1.1696328830617317 Energy: 1.1708674833495805 Energy: 1.1703030116983077 Energy: 1.3180559375212235 Energy: 1.1546453744969989 Energy: 1.1774655828240042 Energy: 1.3182714829711109 Energy: 1.149967079446601 Energy: 1.1546453744948009 Energy: 1.177465582823125 Energy: 1.318271482980781 Energy: 1.1790110639544211 Energy: 1.1440722692963892 Energy: 1.1919786167297484 Energy: 1.1338833846830383 Energy: 1.179011063950465 Energy: 1.1440722692902352 Energy: 1.1919786165509316 Energy: 1.24563850945434 Energy: 1.1757917762940908 Energy: 1.292766935329356 Energy: 1.176830045900224 Energy: 1.2456385094569775 Energy: 1.1757917762918932 Energy: 1.2927669353319933 Energy: 1.2495884648851332 Energy: 1.1298149564829263 Energy: 1.1973276590063613 Energy: 1.158667938383369 Energy: 1.2495884648820563 Energy: 1.1298149564965525 Energy: 1.1973276590019657 Energy: 1.1952226599735485 Energy: 1.179753744782629 Energy: 1.1635390247620068 Energy: 1.1357808035623693 Energy: 1.1952226599709113 Energy: 1.1797537447799917 Energy: 1.1635390245260884 Energy: 1.1433743788645068 Energy: 1.1814573156993537 Energy: 1.3280318854782056 Energy: 1.1490345043743742 Energy: 1.1433743788649464 Energy: 1.1814573157046282 Energy: 1.3280318854773265 Energy: 1.1442279870477676 Energy: 1.1503576039791241 Energy: 1.3301705394024737 Energy: 1.1549368499381807 Energy: 1.1442279870438117 Energy: 1.1503576039786847 Energy: 1.3301705394037922 Energy: 1.13538559025049 Energy: 1.1669760013502801 Energy: 1.3182025638136776 Energy: 1.1336629561526592 Energy: 1.135385590248292 Energy: 1.1669760013520383 Energy: 1.3182025638097217 Energy: 1.1601956963808662 Energy: 1.1239827194797485 Energy: 1.2778008601489355 Energy: 1.1250343428158138 Energy: 1.1601956963874596 Energy: 1.123982719477111 Energy: 1.2778008601484958 Energy: 1.1804066259022326 Energy: 1.2234997641417125 Energy: 1.2880222665541308 Energy: 1.1391512978436413 Energy: 1.1804066259022326 Energy: 1.2234997641390752 Energy: 1.2880222665589658 Energy: 1.1471367471276148 Energy: 1.183458405069987 Energy: 1.348581513850883 Energy: 1.149586381305263 Energy: 1.1471367471245382 Energy: 1.183458405069108 Energy: 1.3485815138561577 Energy: 1.152006061331355 Energy: 1.1700843528121796 Energy: 1.3430203158367182 Energy: 1.180381219251404 Energy: 1.152006061332234 Energy: 1.1700843528126192 Energy: 1.343020315838037 Energy: 1.1372429195901952 Energy: 1.1819440784217639 Energy: 1.3357267305865546 Energy: 1.1860769569296665 Energy: 1.1372429195866787 Energy: 1.1819440784213242 Energy: 1.3357267305869942 minimum gb energy = 1.110617423055587 eV minimum distance = 2.18240850513336 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.2028247623931503 Energy: 1.1665475850683324 Energy: 1.283475494705376 Energy: 1.1665602421259504 Energy: 1.2028247623905564 Energy: 1.1665475850745577 Energy: 1.32073026260738 Energy: 1.1209234525436267 Energy: 1.2092815081598214 Energy: 1.1032254074382386 Energy: 1.183615058462223 Energy: 1.1209234525477765 Energy: 1.2092815081582653 Energy: 1.103225407441351 Energy: 1.2027252108859536 Energy: 1.0442195078367555 Energy: 1.223146712170819 Energy: 1.1551659093296387 Energy: 1.2027252108880289 Energy: 1.0442195078466119 Energy: 1.230540532866224 Energy: 1.1574479547425232 Energy: 1.2094526051317116 Energy: 1.1036263725602968 Energy: 1.171445731775887 Energy: 1.1574479547492669 Energy: 1.2094526051384555 Energy: 1.103626372557703 Energy: 1.1497987850877283 Energy: 1.1243851053150717 Energy: 1.1407284511144662 Energy: 1.157420363598998 Energy: 1.1497987850732032 Energy: 1.1243851053104033 Energy: 1.2306817124877465 Energy: 1.157042168141619 Energy: 1.1908721817251666 Energy: 1.3596325033569951 Energy: 1.1809850365246164 Energy: 1.15704216814525 Energy: 1.190872181709604 Energy: 1.3596325033642576 Energy: 1.2163415297422067 Energy: 1.107443601804314 Energy: 1.143558118508195 Energy: 1.1408588358115024 Energy: 1.2163415297328692 Energy: 1.1074436017965326 Energy: 1.1435581185076764 Energy: 1.1793765119545148 Energy: 1.1053490689860601 Energy: 1.2915927486790801 Energy: 1.1053323244329036 Energy: 1.1793765119436679 Energy: 1.1053490689793164 Energy: 1.291592748666677 Energy: 1.2164943982373686 Energy: 1.1409563672378622 Energy: 1.2803927545198395 Energy: 1.1074408410476346 Energy: 1.2164943982207685 Energy: 1.1409563672394185 Energy: 1.2803927545177645 Energy: 1.1569533901617357 Energy: 1.1809971740949292 Energy: 1.3593881372986059 Energy: 1.1908493087193377 Energy: 1.1569533901596605 Energy: 1.1809971741001168 Energy: 1.3593881372814869 Energy: 1.1497901800540289 Energy: 1.1576833753903564 Energy: 1.309877981677845 Energy: 1.1243568379461286 Energy: 1.1497901800503976 Energy: 1.1576833753773874 Energy: 1.286525022981412 Energy: 1.1535989206213084 Energy: 1.171395768410694 Energy: 1.1036391162579324 Energy: 1.2093964592272235 Energy: 1.1535989206166395 Energy: 1.1713957684075815 Energy: 1.1036391162760888 Energy: 1.2028455729423362 Energy: 1.1554255341680673 Energy: 1.2366239238000503 Energy: 1.0442204948951612 Energy: 1.202845572947005 Energy: 1.1554255341784423 Energy: 1.2366239237969379 Energy: 1.120967497415083 Energy: 1.1834334637521702 Energy: 1.1029334149552188 Energy: 1.2094480140654562 Energy: 1.1209674974218267 Energy: 1.1834334637459452 Energy: 1.1029334149474375 Energy: 1.2028247623910755 Energy: 1.1665475850709262 Energy: 1.280925810764622 Energy: 1.1665602421285444 Energy: 1.2028247623879629 Energy: 1.1665475850730012 Energy: 1.317624500748718 Energy: 1.1209234525457015 Energy: 1.20928150816034 Energy: 1.1032254074408323 Energy: 1.183615058461704 Energy: 1.1209234525514078 Energy: 1.2092815081582653 Energy: 1.1032254074444634 Energy: 1.2027252108849162 Energy: 1.0442195078362368 Energy: 1.2231467121775628 Energy: 1.1551659093317135 Energy: 1.202725210889585 Energy: 1.044219507841943 Energy: 1.223146712166669 Energy: 1.1574479547420045 Energy: 1.2094526051348242 Energy: 1.1036263725613342 Energy: 1.1714457317748495 Energy: 1.1574479547482295 Energy: 1.2094526051384555 Energy: 1.1036263725587405 Energy: 1.1497987850866906 Energy: 1.124385105317147 Energy: 1.1805764993033847 Energy: 1.1574203635984792 Energy: 1.1497987850721654 Energy: 1.124385105312997 Energy: 1.1805764993101284 Energy: 1.1570421681400624 Energy: 1.190872181724129 Energy: 1.3596325033559573 Energy: 1.1809850365246164 Energy: 1.1570421681462875 Energy: 1.190872181709604 Energy: 1.3596325033627013 Energy: 1.2163415297427254 Energy: 1.1074436018001639 Energy: 1.1435581185091857 Energy: 1.1408588358130587 Energy: 1.2163415297354627 Energy: 1.10744360179342 Energy: 1.1435581185050825 Energy: 1.1793765119535244 Energy: 1.105349068985023 Energy: 1.2915927486785612 Energy: 1.10533232443031 Energy: 1.1793765119431492 Energy: 1.1053490689808727 Energy: 1.2915927486671959 Energy: 1.2164943982363312 Energy: 1.1409563672388998 Energy: 1.2488240783349027 Energy: 1.1074408410445222 Energy: 1.2164943982202499 Energy: 1.1409563672420124 Energy: 1.24882407831519 Energy: 1.1569533901560294 Energy: 1.1809971740938918 Energy: 1.3593881373001624 Energy: 1.190849308716744 Energy: 1.1569533901581044 Energy: 1.1809971740995981 Energy: 1.3593881372835621 Energy: 1.1497901800529913 Energy: 1.1576833753882814 Energy: 1.2527891798277457 Energy: 1.124356837947166 Energy: 1.1497901800535102 Energy: 1.1576833753753126 Energy: 1.252789179818408 Energy: 1.1535989206187145 Energy: 1.1713957684117313 Energy: 1.103639116260526 Energy: 1.2093964592292987 Energy: 1.1535989206156019 Energy: 1.1713957684091374 Energy: 1.1036391162776449 Energy: 1.2028455729464862 Energy: 1.155425534162361 Energy: 1.2286432939670762 Energy: 1.0442204948946425 Energy: 1.2028455729495988 Energy: 1.1554255341742923 Energy: 1.228643293977451 Energy: 1.1209674974145643 Energy: 1.183433463750614 Energy: 1.102933414957294 Energy: 1.209448014069606 Energy: 1.120967497419233 Energy: 1.183433463744389 Energy: 1.1029334149479562 Energy: 1.2028247623931503 Energy: 1.1665475850683324 Energy: 1.280925810764103 Energy: 1.1665602421264691 Energy: 1.2028247623905564 Energy: 1.1665475850745577 Energy: 1.280925810777072 Energy: 1.1209234525431078 Energy: 1.2092815081598214 Energy: 1.103225407436682 Energy: 1.183615058461704 Energy: 1.1209234525477765 Energy: 1.2092815081582653 Energy: 1.103225407435645 minimum gb energy = 1.0442195078362368 eV minimum distance = 2.22265603306167 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.1837417383336244 Energy: 1.2684289484538325 Energy: 1.2786453007699954 Energy: 1.2684650804283075 Energy: 1.183741738337403 Energy: 1.2684289484563513 Energy: 1.227001319861332 Energy: 1.2911582541186033 Energy: 1.1665999819562052 Energy: 1.20887130905509 Energy: 1.1349130418726356 Energy: 1.2911582541198625 Energy: 1.1665999819580946 Energy: 1.2088713090519412 Energy: 1.171834977741324 Energy: 1.13646135902414 Energy: 1.1615151192658701 Energy: 1.200197290687081 Energy: 1.171834977748881 Energy: 1.13646135902351 Energy: 1.1615151194660425 Energy: 1.2545387571651838 Energy: 1.1672496993749444 Energy: 1.2541671191590735 Energy: 1.1348414303172387 Energy: 1.2545387571632944 Energy: 1.167249699368647 Energy: 1.2541671191760766 Energy: 1.1243106391520736 Energy: 1.1844626673864649 Energy: 1.1528464102355962 Energy: 1.1944470997391223 Energy: 1.1243106391533333 Energy: 1.1844626673694618 Energy: 1.1586081052689814 Energy: 1.2542287991775674 Energy: 1.1473952930906717 Energy: 1.3101615531716415 Energy: 1.162852630768618 Energy: 1.2542287991895325 Energy: 1.1473952930906717 Energy: 1.3101615531697524 Energy: 1.1796079091263618 Energy: 1.184432666029112 Energy: 1.2036901523936936 Energy: 1.1780005983443433 Energy: 1.1796079091389566 Energy: 1.1844326660310014 Energy: 1.2301800474935063 Energy: 1.1988406385533479 Energy: 1.2398080399391087 Energy: 1.2991618244717034 Energy: 1.1623980148574224 Energy: 1.1988406385477088 Energy: 1.2398080399334694 Energy: 1.2991618244666652 Energy: 1.1810384265185918 Energy: 1.1619536058660118 Energy: 1.2845072351830098 Energy: 1.2234777877432457 Energy: 1.181038426516073 Energy: 1.1619536058697904 Energy: 1.2845072351918263 Energy: 1.1794868759159465 Energy: 1.2053779443952668 Energy: 1.197492983708728 Energy: 1.1448935049087308 Energy: 1.179486875921614 Energy: 1.205377944401564 Energy: 1.1974929837049497 Energy: 1.160636584433315 Energy: 1.1337602804895546 Energy: 1.361775301220107 Energy: 1.166118930880852 Energy: 1.1606365844314261 Energy: 1.1337602804857763 Energy: 1.3617753012194773 Energy: 1.1147521854844018 Energy: 1.2024311598310684 Energy: 1.288447817058581 Energy: 1.1975561162943533 Energy: 1.1147521854793638 Energy: 1.2024311598310684 Energy: 1.2884478170541727 Energy: 1.1584880518225509 Energy: 1.1521324004962459 Energy: 1.2566586538876268 Energy: 1.1663418173827464 Energy: 1.158488051820662 Energy: 1.1521324005019138 Energy: 1.2566586538825888 Energy: 1.1530040390372278 Energy: 1.1486422771281795 Energy: 1.3274294371898696 Energy: 1.1723581579306586 Energy: 1.1530040390397467 Energy: 1.14864227712692 Energy: 1.3274294371974267 Energy: 1.2336337583866945 Energy: 1.157233282750197 Energy: 1.2570232965528576 Energy: 1.165159588915651 Energy: 1.2336337583929922 Energy: 1.1572332827615326 Energy: 1.2570232965421522 Energy: 1.1692195166016657 Energy: 1.2097471096502148 Energy: 1.264232262788183 Energy: 1.2249411911888668 Energy: 1.1692195165959982 Energy: 1.2097471096439172 Energy: 1.2642322627894425 Energy: 1.2274815598952877 Energy: 1.1646814822722154 Energy: 1.3055102120518858 Energy: 1.1640875704252145 Energy: 1.2274815598927689 Energy: 1.1646814822803733 Energy: 1.305510212053145 Energy: 1.1670723560109784 Energy: 1.1586008138706128 Energy: 1.179856346971127 Energy: 1.1988144907290894 Energy: 1.1670723560059404 Energy: 1.1586008138712427 Energy: 1.1798563469692378 Energy: 1.1598937210757945 Energy: 1.1654809471758971 Energy: 1.2414897242834753 Energy: 1.1066354093042625 Energy: 1.1598937210896203 Energy: 1.1654809471721186 Energy: 1.241489724279697 Energy: 1.0999295353999778 Energy: 1.1600145764476626 Energy: 1.2289757960330427 Energy: 1.1599304811465043 Energy: 1.0999295354062752 Energy: 1.160014576448922 Energy: 1.228975796041859 Energy: 1.159877005491287 Energy: 1.1067085741148315 Energy: 1.2412436435457037 Energy: 1.1656742072189519 Energy: 1.1598770054868788 Energy: 1.106708574098458 Energy: 1.2412436435463334 Energy: 1.1671740859963655 Energy: 1.1987588789153734 Energy: 1.161946704300083 Energy: 1.1586129512597914 Energy: 1.1671740859919573 Energy: 1.1987588789128547 Energy: 1.1619467042931557 Energy: 1.2272736091383774 Energy: 1.1641225284327115 Energy: 1.2072301715834337 Energy: 1.1647125888326706 Energy: 1.2272736091459342 Energy: 1.164122528438379 Energy: 1.2072301715903608 Energy: 1.169239922066913 Energy: 1.2248587060010918 Energy: 1.2641750957477986 Energy: 1.209805466224825 Energy: 1.1692399220650236 Energy: 1.2248587060086487 Energy: 1.2641750957572448 Energy: 1.2336816123799959 Energy: 1.165197913173471 Energy: 1.1666665247596677 Energy: 1.1572299444411431 Energy: 1.233681612379366 Energy: 1.1651979131810282 Energy: 1.166666524757149 minimum gb energy = 1.0999295353999778 eV minimum distance = 2.19228944435679 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.271393579989348 Energy: 1.2578345710162446 Energy: 1.2343380463760572 Energy: 1.2571025867773453 Energy: 1.2713935799928628 Energy: 1.257834571030303 Energy: 1.266970278525263 Energy: 1.2483397458129322 Energy: 1.2393077134204127 Energy: 1.3173707778427632 Energy: 1.2560182094811125 Energy: 1.248339745816447 Energy: 1.2393077134309565 Energy: 1.3173707778392485 Energy: 1.2406668971883534 Energy: 1.2275651499842597 Energy: 1.3118187260069698 Energy: 1.2115614576980793 Energy: 1.2406668972024117 Energy: 1.227565149973716 Energy: 1.3118187259999408 Energy: 1.1819443874026871 Energy: 1.227574533769833 Energy: 1.3661056301241175 Energy: 1.2185131336382533 Energy: 1.181944387413231 Energy: 1.2275745337557746 Energy: 1.3661056301065444 Energy: 1.2343803615426683 Energy: 1.1557529006542955 Energy: 1.2346691964659122 Energy: 1.1822400263086388 Energy: 1.2343803615426683 Energy: 1.1557529006542955 Energy: 1.234669196483485 Energy: 1.146794939703189 Energy: 1.2106176880868773 Energy: 1.318756806558099 Energy: 1.174167471407143 Energy: 1.1467949396996744 Energy: 1.2106176880868773 Energy: 1.3187568065651283 Energy: 1.210552916785982 Energy: 1.148352836104346 Energy: 1.2730264398841928 Energy: 1.1586086283673886 Energy: 1.2105529167719238 Energy: 1.1483528361113753 Energy: 1.2730264398701345 Energy: 1.1464014641161382 Energy: 1.1859587671854508 Energy: 1.3300473103604458 Energy: 1.1825052106432625 Energy: 1.1464014641231672 Energy: 1.1859587671749068 Energy: 1.330047310356931 Energy: 1.1991109930824073 Energy: 1.1620220684283487 Energy: 1.341362952863434 Energy: 1.1578807526851924 Energy: 1.1991109930788928 Energy: 1.1620220684388924 Energy: 1.341362952863434 Energy: 1.156380299920123 Energy: 1.1887097005216336 Energy: 1.3572401696055483 Energy: 1.1879809091626317 Energy: 1.1563802998955208 Energy: 1.1887097005181189 Energy: 1.3572401696125136 Energy: 1.2044710077645215 Energy: 1.2170310641452453 Energy: 1.3337272346219455 Energy: 1.1721014941333066 Energy: 1.2044710077610068 Energy: 1.217031064155789 Energy: 1.33372723462546 Energy: 1.1715398958086631 Energy: 1.2036279329606012 Energy: 1.3923515194565743 Energy: 1.1866243440434139 Energy: 1.1715398957946048 Energy: 1.2036279329711452 Energy: 1.3923515194530596 Energy: 1.2185916984297986 Energy: 1.2244386093459676 Energy: 1.3590700576837338 Energy: 1.2122859166881703 Energy: 1.218591698426284 Energy: 1.224438609367055 Energy: 1.3590700576802193 Energy: 1.2168677132873769 Energy: 1.2560102341950241 Energy: 1.4174407825767816 Energy: 1.2631272927141737 Energy: 1.2168677132979209 Energy: 1.256010234212597 Energy: 1.4174407825802964 Energy: 1.2175985940857588 Energy: 1.2373112610484909 Energy: 1.3496159186533099 Energy: 1.251470679116651 Energy: 1.217598594068186 Energy: 1.2373112610449761 Energy: 1.3496159186533099 Energy: 1.215192916201675 Energy: 1.203868006262368 Energy: 1.3714699962746002 Energy: 1.2247859857115377 Energy: 1.215192916194646 Energy: 1.2038680062658826 Energy: 1.3714699962605417 Energy: 1.2160695220755513 Energy: 1.2238189418191876 Energy: 1.380765706892504 Energy: 1.1884716183128972 Energy: 1.216069522068522 Energy: 1.2238189418191876 Energy: 1.3807657068784458 Energy: 1.1734758423017684 Energy: 1.1853702960153258 Energy: 1.3369673837728533 Energy: 1.2056684460149025 Energy: 1.17347584228771 Energy: 1.1853702960293842 Energy: 1.3369673837623095 Energy: 1.215805029850844 Energy: 1.2024684551932474 Energy: 1.3298824722875437 Energy: 1.2306259000262898 Energy: 1.2158050298473297 Energy: 1.2024684551897329 Energy: 1.3298824722805147 Energy: 1.160230305785073 Energy: 1.1874596263923833 Energy: 1.328133552160107 Energy: 1.1742292577856916 Energy: 1.1602303057745291 Energy: 1.1874596263888688 Energy: 1.3281335521565925 Energy: 1.1895726387446066 Energy: 1.1866369534328935 Energy: 1.3126056880807886 Energy: 1.2338063442147842 Energy: 1.189572638737641 Energy: 1.1866369534399226 Energy: 1.3126056880807886 Energy: 1.1675484017809272 Energy: 1.1798978332700776 Energy: 1.2798836222979726 Energy: 1.188566783349082 Energy: 1.1675484017774125 Energy: 1.1798978332525045 Energy: 1.2798836223050019 Energy: 1.1984116138742273 Energy: 1.195361927041264 Energy: 1.3309884422308147 Energy: 1.2189161337627945 Energy: 1.1984116138918002 Energy: 1.1953619270447786 Energy: 1.3309884422237857 Energy: 1.1903678933232122 Energy: 1.1687877227975147 Energy: 1.3221271533292143 Energy: 1.21602877566941 Energy: 1.1903678933302413 Energy: 1.1687877228045438 Energy: 1.3221271533256995 Energy: 1.2210498913430903 Energy: 1.192239073858501 Energy: 1.2686549626447197 Energy: 1.2711155555932512 Energy: 1.2210498913430903 Energy: 1.1922390738724953 Energy: 1.2686549626517487 Energy: 1.1838357933356896 Energy: 1.2497705059536808 Energy: 1.354207130405784 Energy: 1.2390552563211013 Energy: 1.1838357933356896 Energy: 1.2497705059677393 Energy: 1.3542071304198424 Energy: 1.2918632880386258 Energy: 1.196362394333256 Energy: 1.2689719319250354 Energy: 1.297497795552885 Energy: 1.291863288045655 Energy: 1.1963623943297412 Energy: 1.26897193192855 Energy: 1.2123149634406944 Energy: 1.2658568105810066 Energy: 1.3724759534789892 Energy: 1.2811311947373127 Energy: 1.2123149634301509 Energy: 1.2658568106020942 Energy: 1.372475953475475 Energy: 1.2820739815467828 Energy: 1.1969869907070583 Energy: 1.3259791116765591 Energy: 1.2994108051352047 Energy: 1.2820739815467828 Energy: 1.196986990685971 Energy: 1.3259791116871027 Energy: 1.1815274997545768 Energy: 1.2265459954257143 Energy: 1.3219202729529353 Energy: 1.2354884540153572 Energy: 1.1815274997616059 Energy: 1.2265459954397087 Energy: 1.321920272938877 Energy: 1.2152148460051333 Energy: 1.1918273864563391 Energy: 1.3704780463089947 Energy: 1.2525349328387323 Energy: 1.2152148459945895 Energy: 1.1918273864563391 Energy: 1.3704780463089947 Energy: 1.1765848498402987 Energy: 1.1583506753095545 Energy: 1.3037853754537587 Energy: 1.195102479520152 Energy: 1.1765848498297549 Energy: 1.1583506753025252 Energy: 1.3037853754607238 Energy: 1.173808732821517 Energy: 1.164000103976354 Energy: 1.332993445059483 Energy: 1.2077683511210446 Energy: 1.173808732814488 Energy: 1.1640001039798686 Energy: 1.332993445066512 Energy: 1.1613129489601735 Energy: 1.154744421018775 Energy: 1.3057109928179182 Energy: 1.155874159707892 Energy: 1.161312948963688 Energy: 1.154744421018775 Energy: 1.3057109928214328 Energy: 1.1573738797173951 Energy: 1.1423742941548007 Energy: 1.3200015866310504 Energy: 1.2121733320582349 Energy: 1.1573738797244242 Energy: 1.1423742941477715 Energy: 1.3200015866310504 Energy: 1.156290707093384 Energy: 1.1654511134221763 Energy: 1.3014924908789316 Energy: 1.1463826494035398 Energy: 1.1562907070793256 Energy: 1.1654511134116323 Energy: 1.3014924908824463 Energy: 1.1741787150964031 Energy: 1.173628241478631 Energy: 1.3426350383055383 Energy: 1.2123942392220484 Energy: 1.174178715106947 Energy: 1.1736282414821457 Energy: 1.3426350383125676 Energy: 1.1812072107296328 Energy: 1.1793575473306968 Energy: 1.3033176471187244 Energy: 1.1709846244963409 Energy: 1.1812072107296328 Energy: 1.1793575473236677 Energy: 1.30331764711521 Energy: 1.193751054308895 Energy: 1.1983529448073789 Energy: 1.3829947305190138 Energy: 1.2123280934262675 Energy: 1.1937510542913221 Energy: 1.1983529448038643 Energy: 1.3829947305190138 Energy: 1.1941145262216322 Energy: 1.234276989388457 Energy: 1.3189904981226201 Energy: 1.1981094255736764 Energy: 1.1941145262251467 Energy: 1.2342769893849428 Energy: 1.3189904981121403 Energy: 1.225680043479824 Energy: 1.2130197281887338 Energy: 1.4125552097905767 Energy: 1.233705852314325 Energy: 1.2256800434763098 Energy: 1.21301972817819 Energy: 1.4125552097940914 Energy: 1.1938640698937784 Energy: 1.2230723950152083 Energy: 1.3750315656663648 Energy: 1.2440569680265634 Energy: 1.1938640698902636 Energy: 1.2230723950116935 Energy: 1.3750315656663648 Energy: 1.2192745798171938 Energy: 1.2126697303545213 Energy: 1.3706334157400109 Energy: 1.2339982407290135 Energy: 1.219274579834767 Energy: 1.2126697303615506 Energy: 1.3706334157505544 Energy: 1.191155809337166 Energy: 1.209966448171962 Energy: 1.3544186232208524 Energy: 1.1891182981021688 Energy: 1.191155809344195 Energy: 1.2099664481614183 Energy: 1.3544186232208524 Energy: 1.174046992722798 Energy: 1.2166493804959966 Energy: 1.3517038719325087 Energy: 1.2075411879969171 Energy: 1.1740469927263124 Energy: 1.2166493805135696 Energy: 1.3517038719149357 minimum gb energy = 1.1423742941477715 eV minimum distance = 2.16829346540657 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.0247713318685423 Energy: 1.025395019566228 Energy: 1.0725908342858403 Energy: 1.0253950195654356 Energy: 1.0247713318788074 Energy: 1.0253950195654356 Energy: 1.2602482320657202 Energy: 1.0247713318772587 Energy: 1.0253950195614734 Energy: 1.0681451467861125 Energy: 1.0253950195614734 Energy: 1.0247713318717118 Energy: 1.025395019564643 Energy: 1.2750105949121884 Energy: 1.0247713318748817 Energy: 1.0253950195638506 Energy: 1.2198787465251197 Energy: 1.025395019566228 Energy: 1.0247713318709195 Energy: 1.0253950195638506 Energy: 1.1343823178818893 Energy: 1.0247713318693348 Energy: 1.025395019564643 Energy: 1.1996803960351208 Energy: 1.0253950195654356 Energy: 1.024771331881977 Energy: 1.0253950195654356 Energy: 1.2068194755636896 Energy: 1.0247713318756737 Energy: 1.0253950195630583 Energy: 1.2689918988418285 Energy: 1.0253950195638506 Energy: 1.0247713318709195 Energy: 1.025395019566228 Energy: 1.2582213087972842 Energy: 1.0247713318780511 Energy: 1.0253950195638506 Energy: 1.1343823181717672 Energy: 1.025395019564643 Energy: 1.0247713318709195 Energy: 1.0253950195622659 Energy: 1.0926431321306507 Energy: 1.0247713318685423 Energy: 1.025395019566228 Energy: 1.1731749049174953 Energy: 1.0253950195654356 Energy: 1.0247713318795997 Energy: 1.0253950195654356 Energy: 1.1629814674586723 Energy: 1.0247713318772587 Energy: 1.0253950195614734 Energy: 1.0926431284016447 Energy: 1.0253950195622659 Energy: 1.0247713318709195 Energy: 1.025395019564643 Energy: 1.0926431307983946 Energy: 1.0247713318748817 Energy: 1.025395019564643 Energy: 1.1745646223404391 Energy: 1.025395019566228 Energy: 1.0247713318709195 Energy: 1.0253950195638506 Energy: 1.1472169044083929 Energy: 1.0247713318693348 Energy: 1.025395019564643 Energy: 1.0432265866460115 Energy: 1.0253950195654356 Energy: 1.024771331881977 Energy: 1.0253950195654356 Energy: 1.0432265865913353 Energy: 1.0247713318756737 Energy: 1.0253950195622659 Energy: 1.000899363072701 Energy: 1.0253950195638506 Energy: 1.024771331870127 Energy: 1.025395019566228 Energy: 1.1731749049167028 Energy: 1.0247713318780511 Energy: 1.0253950195638506 Energy: 1.0008986886832714 Energy: 1.025395019564643 Energy: 1.0247713318709195 Energy: 1.0253950195614734 Energy: 1.0008987389543647 Energy: 1.0247713318677498 Energy: 1.025395019566228 Energy: 1.000898792718434 Energy: 1.0253950195654356 Energy: 1.0247713318788074 Energy: 1.0253950195654356 Energy: 1.0008989651121165 Energy: 1.0247713318780511 Energy: 1.0253950195622659 Energy: 1.0008990573535634 Energy: 1.0253950195614734 Energy: 1.0247713318717118 Energy: 1.0253950195654356 Energy: 1.0008990825995792 Energy: 1.0247713318748817 Energy: 1.025395019564643 Energy: 1.000898810214183 Energy: 1.025395019566228 Energy: 1.0247713318709195 Energy: 1.0253950195638506 Energy: 1.0008989664364485 Energy: 1.0247713318685423 Energy: 1.025395019564643 Energy: 1.0008988300029478 Energy: 1.025395019566228 Energy: 1.024771331881977 Energy: 1.0253950195654356 Energy: 1.0008990208238557 Energy: 1.0247713318756737 Energy: 1.0253950195622659 Energy: 1.0008988847182685 Energy: 1.0253950195630583 Energy: 1.0247713318709195 Energy: 1.025395019566228 Energy: 1.0008988571602186 Energy: 1.0247713318772587 Energy: 1.0253950195638506 Energy: 1.0008989450619643 Energy: 1.025395019564643 Energy: 1.0247713318717118 Energy: 1.0253950195622659 Energy: 1.000899047354619 Energy: 1.0247713318685423 Energy: 1.025395019566228 Energy: 1.0008990289067907 Energy: 1.0253950195654356 Energy: 1.0247713318788074 Energy: 1.0253950195654356 Energy: 1.0008990863998661 Energy: 1.0247713318772587 Energy: 1.0253950195614734 Energy: 1.0008986843150793 Energy: 1.0253950195614734 Energy: 1.0247713318709195 Energy: 1.025395019564643 Energy: 1.0008989987737709 minimum gb energy = 1.0008986843150793 eV minimum distance = 2.30724015965091 Angstroms sigma value = 23