Model name: model_name=EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 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=3.639087498188019 cohesive_energy=3.283374415420919 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.737187697280479e-19, 4.5501015317283e-19, 4.3304591369732395e-19, 4.0780842735855595e-19, 3.7909101337073997e-19, 3.46437051393186e-19, 3.0905186181543e-19, 2.65805910110502e-19, 2.15071384818258e-19, 1.5442339160313898e-19, 8.140178824363799e-20, -7.5836627705439e-21, -1.21445789945517e-19, -2.80119756158658e-19, -5.28636578211666e-19, -9.752625410587739e-19, -1.88686740009546e-18, -3.8359312971228e-18, -7.8321603664773e-18, -1.6872361914990598e-17, -4.06621214472762e-17, -1.182105146684808e-16, -4.6718669559123e-16] 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: 0.015303779873569937 Energy: 0.01698523609333789 Energy: 0.5061881923563382 Energy: 0.8515953310802064 Energy: 0.8543447532730274 Energy: 0.3173871798345467 Energy: 0.01582155861884354 Energy: 0.01583263279003011 Energy: 0.896536131173547 Energy: 0.25208278668195006 Energy: 0.5067370283001897 Energy: 0.5084042392915398 Energy: 0.016735162949271614 Energy: 0.08794938085005394 Energy: 0.015646712253737857 Energy: 0.8961502555262871 Energy: 0.7349329949269717 Energy: 0.5066712663820242 Energy: 0.509056649624769 Energy: 0.08672999890864082 Energy: 0.08820040828393824 Energy: 0.01771044731795165 Energy: 0.6705366738517007 Energy: 0.5067610517793019 Energy: 0.8380572469323783 Energy: 0.8539389788291246 Energy: 0.086939614788835 Energy: 0.016098713612950066 Energy: 0.3174580565821276 Energy: 0.902781236620602 Energy: 0.25229764074194716 Energy: 0.506655545155569 Energy: 0.5078291416290218 Energy: 0.016509923980733913 Energy: 0.08690666335734097 Energy: 0.015593495348325504 Energy: 0.6693852594069909 Energy: 0.7348378457489823 Energy: 0.7354565944251958 Energy: 0.508820293993175 Energy: 0.08664193133373205 Energy: 0.08813195256284737 minimum gb energy = 0.015303779873569937 eV minimum distance = 2.5499722011369 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.1284340440787128 Energy: 1.164773476326009 Energy: 1.190759746094676 Energy: 1.0523126211720009 Energy: 1.1979455674191666 Energy: 1.2139914366045472 Energy: 1.1644066594361309 Energy: 1.030044061286518 Energy: 1.1448537059714117 Energy: 1.054621696991113 Energy: 1.2019251294801558 Energy: 1.1851661871339396 Energy: 1.0484426448401425 Energy: 1.1306855970819871 Energy: 1.1856579256717572 Energy: 1.1876467633955357 Energy: 1.1604227947385526 Energy: 1.153192709475442 Energy: 1.1673858982940317 Energy: 1.1577147095938183 Energy: 1.1462528133674397 Energy: 1.0129025335507564 Energy: 1.19115986229244 Energy: 1.0339313888743193 Energy: 1.152704933609363 Energy: 1.1558363859743779 Energy: 1.1027139562362716 Energy: 1.2361973229312457 Energy: 1.2036319132687523 Energy: 1.1107569632780012 Energy: 1.0948109017082448 Energy: 1.051621366304286 Energy: 1.0883825796585824 Energy: 1.1825943027514894 Energy: 1.170262975128482 Energy: 1.1341057366731986 Energy: 1.1081154337169268 Energy: 1.0958415127204644 Energy: 1.0665823955590332 Energy: 1.0592629636769781 Energy: 1.1425679497163763 Energy: 1.1187793946792988 Energy: 1.0507420037633641 Energy: 1.1573379993550628 Energy: 1.1360505410540604 Energy: 1.1280974225500546 Energy: 1.1422394299866523 Energy: 1.1140555695409693 Energy: 1.1608107885270476 Energy: 1.0403707600421308 Energy: 1.1711956498624099 Energy: 1.1236468476332675 Energy: 1.1199933685265528 Energy: 1.158154038079974 Energy: 1.0664686807579151 Energy: 1.2131550499944876 Energy: 1.1036886525138154 Energy: 1.1391613919673005 Energy: 1.0598850647338027 Energy: 1.147267962121955 Energy: 1.1587130839999171 Energy: 1.0761406106315132 Energy: 1.0702614836476447 Energy: 1.0719387496334707 Energy: 1.1728492978400826 Energy: 1.1026340281510778 Energy: 1.1747288676590457 Energy: 1.090231546329665 Energy: 1.0975001096995944 Energy: 1.064968640109195 Energy: 1.0382649342319386 Energy: 1.1718311136036843 Energy: 1.057965893673368 Energy: 1.1467089701698812 Energy: 1.1830828572859005 Energy: 1.098620804166873 Energy: 1.1593475309042753 Energy: 1.159821147513327 Energy: 1.1011846694228704 Energy: 1.1729879578157998 Energy: 1.2623874978618421 Energy: 1.2646124628582376 Energy: 1.1003178375867801 Energy: 1.111377824166332 Energy: 1.0524572770616585 Energy: 1.1442979928948112 Energy: 1.1387630898581136 Energy: 1.2012958828672975 Energy: 1.1793245415520128 Energy: 1.0942618245764872 Energy: 1.1306178334469335 Energy: 1.0959523654708885 Energy: 1.1222318727022587 Energy: 1.168727382716779 Energy: 1.1421450825138928 Energy: 1.1397904985350036 Energy: 1.1555124176228821 Energy: 1.1924009786009677 Energy: 1.0856693900031176 Energy: 1.090288055252291 Energy: 1.1197323168924358 Energy: 1.1114146194295687 Energy: 1.0996369528514482 Energy: 1.0884547618250884 Energy: 1.1239837295781145 Energy: 1.1544825776325212 Energy: 1.1422595745230437 Energy: 1.1635562859167394 Energy: 1.1107141567711611 Energy: 1.1204662453384988 Energy: 1.1814395523517183 Energy: 1.0759014654707468 Energy: 1.0584680695606021 Energy: 1.1831676256090047 Energy: 1.0911520946967135 Energy: 1.1436849287112647 Energy: 1.116221843340082 Energy: 1.1114813927867329 Energy: 1.2195041894788303 Energy: 1.1409403138129974 Energy: 1.1113181446438414 Energy: 1.1047215582428398 Energy: 1.1507328551560183 Energy: 1.1470480098602023 Energy: 1.1900906100309356 Energy: 1.1070805884768693 Energy: 1.06893319186842 Energy: 1.0507389474917608 Energy: 1.0482023103566325 Energy: 1.1291217277763923 Energy: 1.0784710789238185 Energy: 1.1042185921681973 Energy: 1.0838233596940896 Energy: 1.1757955306514236 Energy: 1.1137087276573234 Energy: 1.1242793873669443 Energy: 1.0778982319266186 Energy: 1.0893846997010503 Energy: 1.1221099099889233 Energy: 1.1485946037586208 Energy: 1.010334816837175 Energy: 1.1925440453592244 Energy: 1.057925066636233 Energy: 1.1213507251084074 Energy: 1.1411738965725435 Energy: 1.142805207905784 Energy: 1.203178884598393 Energy: 1.1447716186623333 Energy: 1.1563513360134325 Energy: 1.1433986637863232 Energy: 1.1236391261901995 Energy: 1.1578181181275766 Energy: 1.1449386584384296 Energy: 1.1567200649863478 Energy: 1.0487956325091887 Energy: 1.1281809581440216 Energy: 1.0683322685235876 Energy: 1.0578567262247063 Energy: 1.1484664443050887 Energy: 1.018507403887546 Energy: 1.1215310084617494 Energy: 1.1216491109808366 Energy: 1.0813933439140646 Energy: 1.202584339960091 Energy: 1.1086309054203938 Energy: 1.1550287030108215 Energy: 1.0885047584737797 Energy: 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1.168619776007228 Energy: 1.1431815516188515 Energy: 1.1323274671299925 Energy: 1.1436059839067705 Energy: 1.1124146553353509 Energy: 1.1871661505366464 Energy: 1.0957700105404597 Energy: 1.1417940302721 Energy: 1.145623772658273 Energy: 1.1103189367024981 Energy: 1.1199574559788152 Energy: 1.1246977510090062 Energy: 1.1820765799457704 Energy: 1.0672548513902076 Energy: 1.0982285648282644 Energy: 1.0771544273331848 Energy: 1.134602261008157 Energy: 1.1259082305173422 Energy: 1.078583511090691 Energy: 1.1367816803971342 Energy: 1.1470479059515524 Energy: 1.0885516209754402 Energy: 1.1371716107909349 Energy: 1.1250565792810006 Energy: 1.0907753131098379 Energy: 1.149985833642807 Energy: 1.0644989113471741 Energy: 1.038808465895949 Energy: 1.169655703591781 Energy: 1.073616157510887 Energy: 1.1855664915938613 Energy: 1.1581955764120548 Energy: 1.03405940933211 Energy: 1.1067205776235256 Energy: 1.144599267470586 Energy: 1.1196489304383788 Energy: 1.1486158798446233 Energy: 1.1414965663959658 Energy: 1.2314478486849636 Energy: 1.1141413122750812 Energy: 1.1096019055342778 Energy: 1.0542636965430647 Energy: 1.2063398034123494 Energy: 1.0811440841212354 Energy: 1.1699448264259584 Energy: 1.1769610546770375 Energy: 1.0613058439509189 Energy: 1.14767740152535 Energy: 1.0978167224390956 Energy: 1.1133112771404108 Energy: 1.1344980547956622 Energy: 1.10074888410976 Energy: 1.1387354823093427 Energy: 1.1478014065948496 Energy: 1.1463642355056338 Energy: 1.0639422122858302 Energy: 1.033367424267104 Energy: 1.0955196399699043 Energy: 1.1413393730884551 Energy: 1.1702950065137272 Energy: 1.0868015432528675 Energy: 1.1235244077022717 Energy: 1.1988576382380343 Energy: 1.1242118758999025 Energy: 1.159268896173406 Energy: 1.1388949287796815 Energy: 1.1239042473485736 Energy: 1.1097975055673397 Energy: 1.079669335111448 Energy: 1.0582240194224453 Energy: 1.1822197191591848 Energy: 1.0491062944515306 Energy: 1.1484073584076453 Energy: 1.1017948043068038 Energy: 1.1102260120187348 Energy: 1.2159389350103118 Energy: 1.150555593955764 Energy: 1.1024014891331082 Energy: 1.104618828851255 Energy: 1.1523023227075422 Energy: 1.137826134963448 Energy: 1.20688824060683 Energy: 1.1167662329805477 Energy: 1.070435097773284 Energy: 1.051923245016039 Energy: 1.050447347967585 Energy: 1.1235469220033725 Energy: 1.1134303287794245 Energy: 1.1275772960149935 Energy: 1.0957999391867026 Energy: 1.1540869497857038 Energy: 1.161078208402314 Energy: 1.1581882150924934 Energy: 1.0942270755295038 Energy: 1.12852751980828 Energy: 1.1521347157514406 Energy: 1.1613846337783296 Energy: 1.0103945040471345 Energy: 1.187625048769648 Energy: 1.1084401893755682 Energy: 1.1280618303924883 Energy: 1.1335809860700858 Energy: 1.1152174500653644 Energy: 1.183002252489274 Energy: 1.1587848652678503 Energy: 1.123571484398937 Energy: 1.1439614319664246 Energy: 1.0768136675737945 Energy: 1.1742713826293845 Energy: 1.1776414165662275 Energy: 1.159521668888097 Energy: 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1.099904645874176 Energy: 1.0852323599751506 Energy: 1.1744867226178843 Energy: 1.1899955532570663 Energy: 1.1426781442294744 Energy: 1.1098921901694343 Energy: 1.1109792895395036 Energy: 1.0316586412670563 Energy: 1.0260775045388992 Energy: 1.1652410845301586 Energy: 1.0957073247540243 Energy: 1.0764984075223905 Energy: 1.0965669429646596 minimum gb energy = 1.0138922097054621 eV minimum distance = 2.14800350392269 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.063807568406421 Energy: 1.1449136262351716 Energy: 1.133902640616438 Energy: 1.1041826667155514 Energy: 1.1739576581702644 Energy: 1.1281191333519252 Energy: 1.122605840686717 Energy: 1.0373759642989222 Energy: 1.1435028475878983 Energy: 1.0798167634089397 Energy: 1.111617419637483 Energy: 1.1339672451014033 Energy: 1.046069758025125 Energy: 1.154169867213985 Energy: 1.092737774293694 Energy: 1.097174742529826 Energy: 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1.0648384280490522 Energy: 1.1202825852194378 Energy: 1.0886950745758044 Energy: 1.191363095371511 Energy: 1.0773743262007973 Energy: 1.1673289963897309 Energy: 1.0952147424689926 Energy: 1.0855955559139 Energy: 1.1642873119941513 Energy: 1.1281472645998223 Energy: 1.0390869275083383 Energy: 1.1478113782431267 Energy: 1.0837315537231238 Energy: 1.0795546502914528 minimum gb energy = 1.0373759642989222 eV minimum distance = 2.18478905459523 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.0169738768816892 Energy: 1.0550221054959859 Energy: 1.292906588221722 Energy: 1.2021894056706015 Energy: 1.0552657475981553 Energy: 1.104335529198386 Energy: 1.0099388396887707 Energy: 1.00877475581918 Energy: 1.0525544431054341 Energy: 1.0974586162329947 Energy: 1.0850390882782739 Energy: 1.0631962299845115 Energy: 1.0520536158640166 Energy: 1.1346753015006517 Energy: 1.053288193070323 Energy: 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1.1784163757917765 Energy: 1.1281331135543917 Energy: 1.1842477340764488 Energy: 1.1255853660734574 Energy: 1.1927765995841375 Energy: 1.054639350242319 Energy: 1.1528061205191056 Energy: 1.142409456716873 Energy: 1.1733740928473402 Energy: 1.1495312018253407 Energy: 1.1348582673456675 Energy: 1.1067505842630976 Energy: 1.1904529670355473 Energy: 1.109971563359343 Energy: 1.06549266754054 Energy: 1.08231178312265 Energy: 1.185531858861124 Energy: 1.1290774405485076 Energy: 1.141636782400651 Energy: 1.0387660248264474 Energy: 1.080789791494859 Energy: 1.1235258558181294 Energy: 1.0506374462034265 Energy: 1.0093224092665956 Energy: 1.1335444082650057 Energy: 1.0315236307823816 Energy: 1.0381768621994327 Energy: 1.0097881138741076 Energy: 1.171622331798402 Energy: 1.0376799707847162 Energy: 0.9512824678655007 Energy: 1.0843560615194952 Energy: 1.0966181022620916 Energy: 1.0194623243495504 Energy: 1.0342143916469901 Energy: 1.1090146176697642 Energy: 1.0618025004031908 Energy: 1.024294478543004 Energy: 1.0908991803564214 Energy: 1.0090353632760336 Energy: 1.0435968785366505 Energy: 1.0517581647866898 Energy: 1.0496590741698566 Energy: 1.0606320044508093 Energy: 1.0947369452162992 Energy: 1.087835587934693 Energy: 1.0186547069958813 Energy: 1.0451968573187944 Energy: 1.2131500669575102 Energy: 1.1319470648234697 Energy: 1.1673744219258368 Energy: 1.1760400495518302 Energy: 1.1715026321663138 Energy: 1.0484581681971603 Energy: 1.0421035599953568 Energy: 1.2018108796351619 Energy: 1.1480408555229218 Energy: 1.0755628298915028 Energy: 1.165349498887672 Energy: 1.179369971557874 Energy: 1.0426416022295182 Energy: 1.2217303145456324 Energy: 1.0438054380672444 Energy: 1.1984207183593223 Energy: 1.2168450251934297 Energy: 1.2039778191341395 Energy: 1.231153441065971 Energy: 1.1123251395960512 Energy: 1.0987031797338147 Energy: 1.0944400151746878 Energy: 1.0841371054267204 Energy: 1.1119058368735115 Energy: 1.1641105713000275 Energy: 1.2134016382940618 Energy: 1.074953707232278 Energy: 1.031095716052504 Energy: 1.041838218701221 Energy: 1.1992795954727162 Energy: 1.2111028480163335 Energy: 1.179318052362856 Energy: 1.1762316144348217 Energy: 1.2765974683321408 minimum gb energy = 0.9512824678655007 eV minimum distance = 2.04967799480952 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.185980163247361 Energy: 1.3165102468036634 Energy: 1.2555711725411827 Energy: 1.2000985982416066 Energy: 1.2341379576291638 Energy: 1.2368006569870837 Energy: 1.1904830968407731 Energy: 1.2546065329161402 Energy: 1.1987337079041012 Energy: 1.2493324385224396 Energy: 1.280467652633547 Energy: 1.2531292597975892 Energy: 1.2737447563459345 Energy: 1.353105559078717 Energy: 1.228852614346149 Energy: 1.1871077367124312 Energy: 1.2009286015230904 Energy: 1.2006121210555398 Energy: 1.2037422330843097 Energy: 1.1813566874728332 Energy: 1.1908050791267935 Energy: 1.1907234165547413 Energy: 1.1173135119449769 Energy: 1.1841932369480812 Energy: 1.1728532724621725 Energy: 1.2205082859141188 Energy: 1.1844500952235755 Energy: 1.2806334407388713 Energy: 1.1515286454705165 Energy: 1.1671225674340844 Energy: 1.2014974698385026 Energy: 1.1338018828523209 Energy: 1.1283990801807167 Energy: 1.159125590336843 Energy: 1.146134718204717 Energy: 1.0699856264650045 Energy: 1.1020347689459362 Energy: 1.1336416532452298 Energy: 1.1158319493427027 Energy: 1.0709433924940492 Energy: 1.1232854787598237 Energy: 1.1403615609090025 Energy: 1.121188333488017 Energy: 1.1263222353838604 Energy: 1.1156556715960688 Energy: 1.093982854173925 Energy: 1.139360536609347 Energy: 1.1595546510378316 Energy: 1.212326040635866 Energy: 1.1312533023426454 Energy: 0.959684949877546 Energy: 1.0884318388034526 Energy: 1.1867872960622263 Energy: 1.1845976713353368 Energy: 1.1146183439718615 Energy: 1.01943143403261 Energy: 1.1015352970766779 Energy: 1.0306371918127495 Energy: 1.2062407356522558 Energy: 1.0611584934114784 Energy: 1.1449469775080674 Energy: 1.1966878288622873 Energy: 1.1764193982169098 Energy: 1.1453567389736923 Energy: 1.1806084114967346 Energy: 1.0863508262425279 Energy: 1.016821289461051 Energy: 0.98641933928574 Energy: 1.1964584731384071 Energy: 1.0847525461821128 Energy: 1.1458991171490878 Energy: 1.0724147378340059 Energy: 1.2074112585856138 Energy: 1.033319316649925 Energy: 1.074140087086211 Energy: 1.085700522399252 Energy: 1.0103452981423275 Energy: 1.0910796771523614 Energy: 1.010879109233525 Energy: 1.1976424479872174 Energy: 1.0898331465832076 Energy: 1.1362694716314665 Energy: 1.163726042752715 Energy: 1.0897162744251976 Energy: 1.1767494202340656 Energy: 0.9626513657853113 Energy: 1.0496043771973278 Energy: 1.1682874280574511 Energy: 1.1944416875971828 Energy: 1.1883720970663645 Energy: 0.9783569391564714 Energy: 1.1898267111092022 Energy: 1.1083349835878218 Energy: 1.0891882460591333 Energy: 1.1103858560546134 Energy: 1.0480541678346418 Energy: 1.1044142220455508 Energy: 1.1727522063140277 Energy: 1.082719383719586 Energy: 1.1418183134524498 Energy: 1.162593197392366 Energy: 1.046349480908511 Energy: 1.1009423656735005 Energy: 1.0783423534455572 Energy: 1.1181340676224782 Energy: 1.1526775797919597 Energy: 1.0869881928011842 Energy: 1.213207125702744 Energy: 1.1622060472413533 Energy: 1.1485889844798607 Energy: 1.1395887410243555 Energy: 1.0704662055033614 Energy: 1.1106645633151428 Energy: 1.061230761457452 Energy: 1.165133479436003 Energy: 1.2291204775802924 Energy: 1.1881070454339704 Energy: 1.1870676367644575 Energy: 1.1059610831241016 Energy: 1.1204466329160205 Energy: 1.1132549450433178 Energy: 1.180207160983783 Energy: 1.1409471569855298 Energy: 1.163790275959545 Energy: 1.1864620645316986 Energy: 1.1595666239709785 Energy: 1.2341950503728427 Energy: 1.1448441503586586 Energy: 1.1650427748453505 Energy: 1.237655733516538 Energy: 1.244929893775263 Energy: 1.2553240151295448 Energy: 1.234426178663289 Energy: 1.1936470633820095 Energy: 1.2562179026263691 Energy: 1.1923504100769127 Energy: 1.1722941793804647 Energy: 1.2221759156307965 Energy: 1.2073125690706492 Energy: 1.301561113107736 Energy: 1.2176647372758251 Energy: 1.314839082560428 Energy: 1.099824213813734 Energy: 1.1152321323533 Energy: 1.1218799725683322 Energy: 1.18270907133769 Energy: 1.2280889412188398 Energy: 1.2686710423300722 Energy: 1.2815143913066376 Energy: 1.116900854540697 Energy: 1.252300598154231 Energy: 1.122749356183236 Energy: 1.1637194060410836 Energy: 1.2490661590114098 Energy: 1.1815128477038312 Energy: 1.2806258170345641 Energy: 1.255952406030166 Energy: 1.1998036242670411 Energy: 1.234093860559577 Energy: 1.2371260812312335 Energy: 1.2814035792015708 Energy: 1.2897565984361217 Energy: 1.1994845944999941 Energy: 1.2460936775536442 Energy: 1.2193734105816032 Energy: 1.25329313524154 Energy: 1.2755779716673386 Energy: 1.3525462197979852 Energy: 1.122301110721121 Energy: 1.2193056556103599 Energy: 1.1999113995655202 Energy: 1.1993806837972052 Energy: 1.1811445938983278 Energy: 1.1786384793126767 Energy: 1.2444868847745372 Energy: 1.1908172065870901 Energy: 1.1180506953494878 Energy: 1.1824631609693583 Energy: 1.2462032050772482 Energy: 1.242628925442792 Energy: 1.1857539230306138 Energy: 1.2152285751508132 Energy: 1.1612267959109603 Energy: 1.165838257622506 Energy: 1.2001771644083894 Energy: 1.1314439202893003 Energy: 1.1550998452565573 Energy: 1.1916596371539796 Energy: 1.1556824373678687 Energy: 1.074034724767805 Energy: 1.1690711211692306 Energy: 1.0942726255216526 Energy: 1.1147899383043591 Energy: 1.0720127713401664 Energy: 1.1243678782043773 Energy: 1.1228654857509206 Energy: 1.1421067805629757 Energy: 1.1266218129422372 Energy: 1.102850077941404 Energy: 1.1454686477493279 Energy: 1.141582892825965 Energy: 1.160728812728564 Energy: 1.2093552599430064 Energy: 1.1865827395924 Energy: 0.958977174508819 Energy: 1.049587970103609 Energy: 1.2226771945380428 Energy: 1.189487700010436 Energy: 1.1054042524778722 Energy: 1.019776150275851 Energy: 1.0605597009664243 Energy: 1.030044926327871 Energy: 1.1927035458249182 Energy: 1.0037880205331764 Energy: 1.1368700377110945 Energy: 1.1990470071833856 Energy: 1.0855632050737984 Energy: 1.1854518403817325 Energy: 1.180605488379065 Energy: 1.2053839648912121 Energy: 1.0153286492939395 Energy: 0.989862322202311 Energy: 1.166682337979457 Energy: 1.0490810193421694 Energy: 1.146049185699063 Energy: 1.0771686905237075 Energy: 1.1671143467856688 Energy: 1.0326065888404257 Energy: 1.0730005214460796 Energy: 1.231283927184513 Energy: 1.0681797639606707 Energy: 1.1131501404860316 Energy: 1.0190190806961386 Energy: 1.1999622935308378 Energy: 1.0896013128849156 Energy: 1.1667327055356596 Energy: 1.163806068458297 Energy: 1.089772902697144 Energy: 1.1779753420112633 Energy: 0.9626906546963596 Energy: 1.0514363164422793 Energy: 1.128060319269454 Energy: 1.1550251713491637 Energy: 1.094787961761836 Energy: 0.9773811242063412 Energy: 1.175157033957052 Energy: 1.1060199147213827 Energy: 1.0658000753124328 Energy: 1.10974702733502 Energy: 1.0416848898197766 Energy: 1.103596454301941 Energy: 1.1547734551675988 Energy: 1.0820271888550212 Energy: 1.1499339757514146 Energy: 1.163555772368891 Energy: 1.0470638603433957 Energy: 1.0788119022952825 Energy: 1.0808397566059953 Energy: 1.11692991542946 Energy: 1.152024254638707 Energy: 1.0871925034593544 Energy: 1.2152008169490327 Energy: 1.1137578083170478 Energy: 1.1220844531670946 Energy: 1.1398108792034893 Energy: 1.1147739211566579 Energy: 1.1417245908451656 Energy: 1.0623134369909868 Energy: 1.1644954563311634 Energy: 1.229293210899569 Energy: 1.1873849507799212 Energy: 1.132398302851089 Energy: 1.0930452817435248 Energy: 1.1210129684185637 Energy: 1.1124048013412857 Energy: 1.1393844151195378 Energy: 1.1961779728080222 Energy: 1.1975946091734453 Energy: 1.1890277419905375 Energy: 1.1479329692739795 Energy: 1.2161402026231287 Energy: 1.1441723767395757 Energy: 1.2417033564134126 Energy: 1.2396224764442083 Energy: 1.2222954946904114 Energy: 1.2845648527792546 Energy: 1.2335282748846097 Energy: 1.1942748956632054 Energy: 1.2717849062846462 Energy: 1.1915354151720428 Energy: 1.1995109144680327 Energy: 1.1975883967966614 Energy: 1.2214751655434264 Energy: 1.2785526517743602 Energy: 1.2071185638637547 Energy: 1.316010280686769 Energy: 1.1003802938830736 Energy: 1.2052151117139298 Energy: 1.1228851297104585 Energy: 1.1780237680295607 Energy: 1.2492048564574945 Energy: 1.259376845695308 Energy: 1.2831593629737958 Energy: 1.1159344176420387 Energy: 1.2605998741541484 Energy: 1.1247590614355496 Energy: 1.186355811254937 Energy: 1.2248570876510307 Energy: 1.180688800332818 Energy: 1.2552726859670913 Energy: 1.257109638716017 Energy: 1.1864448993929146 Energy: 1.2344458008317623 Energy: 1.2386484378861817 Energy: 1.2650455295604661 minimum gb energy = 0.958977174508819 eV minimum distance = 2.12540427244542 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.057970035647842 Energy: 1.0121766644849095 Energy: 1.015209290288068 Energy: 1.0107778751060295 Energy: 1.0107429822885206 Energy: 1.0135094203801942 Energy: 1.0136564984175038 Energy: 1.0041523229529665 Energy: 1.2132849685454963 Energy: 1.001590765953033 Energy: 1.0065598650245235 Energy: 1.007497892219873 Energy: 1.0018168826491733 Energy: 1.2137739119235293 Energy: 1.0070512439672346 Energy: 1.2049613912067565 Energy: 1.0106579416232482 Energy: 1.0034901026676397 Energy: 1.0031810668474372 Energy: 1.0102297650178018 Energy: 1.00407880267787 Energy: 1.008175201605565 Energy: 1.2073595609257592 Energy: 1.0060818638875395 Energy: 1.0027511898293564 Energy: 1.0024491827233133 Energy: 1.004479359252825 Energy: 1.004319740874756 Energy: 1.0038027689950246 Energy: 1.2053575755143169 Energy: 1.0032221586994752 Energy: 1.2073764107186378 Energy: 1.0023017819985778 Energy: 1.0031641479533597 Energy: 1.2160257880138257 Energy: 1.008202973930527 Energy: 1.1969081963363069 Energy: 1.0067346703278213 Energy: 1.0091597066899467 Energy: 1.0107686754878629 Energy: 1.0053688900915683 Energy: 1.012896425107291 Energy: 1.006651375933352 Energy: 1.2111833367393576 Energy: 1.006340245240204 Energy: 1.006033168052258 Energy: 1.00675068233848 Energy: 1.0054996296980316 Energy: 1.212959043513188 Energy: 1.006930138907102 Energy: 1.210766250026278 Energy: 1.011065291073586 Energy: 1.0063887741850193 Energy: 1.0063958067802574 Energy: 1.0057620336173643 Energy: 1.2126009118888135 Energy: 1.0100271845478828 Energy: 1.194368949167001 Energy: 1.0059686542034838 Energy: 1.0051958770540828 Energy: 1.003232643407855 Energy: 1.0042297086837297 Energy: 1.012356038213562 Energy: 1.0505743504825016 Energy: 1.2057171409543301 Energy: 1.003080986094568 Energy: 1.2062528549298266 Energy: 1.2059413495408668 Energy: 1.0038656851682592 Energy: 1.2056433883505 Energy: 1.0090928835550046 Energy: 1.2184893753785981 Energy: 1.0055800662237007 Energy: 1.0036472245749135 Energy: 1.0022961878863812 Energy: 1.004282176618132 Energy: 1.0108709792960604 Energy: 1.007693584361777 Energy: 1.2115488099622513 Energy: 1.011146795360898 Energy: 1.006250120771829 Energy: 1.0070458906869957 Energy: 1.0056730919146404 Energy: 1.210328669392177 Energy: 1.006869021700243 Energy: 1.2121548604060253 Energy: 1.0064541744951254 Energy: 1.0060939065197423 Energy: 1.0072075172518773 Energy: 1.0057733977917913 Energy: 1.2138544169569665 Energy: 1.0081046873900072 Energy: 1.2126317536663296 Energy: 1.0076025663101569 Energy: 1.0105885621493862 Energy: 1.011034069237824 Energy: 1.0067116965530685 Energy: 1.0135385981023883 Energy: 1.003946158389858 Energy: 1.209980607357839 Energy: 1.0033225095165894 Energy: 1.0215048012441839 Energy: 1.0025816635197045 Energy: 1.0013609629997777 Energy: 1.2056771546610425 Energy: 1.0076936333253335 Energy: 1.2048238120960761 Energy: 1.0087878874560086 Energy: 1.0029840155229173 Energy: 1.0026222651967889 Energy: 1.0047662468078753 Energy: 1.0056970455958076 Energy: 1.0073397910805986 Energy: 1.2042210867552041 Energy: 1.0100165575016997 Energy: 1.0028312647295685 Energy: 1.0027271723156042 Energy: 1.0053020042190592 Energy: 1.0050674122300012 Energy: 1.0040727641341898 Energy: 1.2065688174678693 Energy: 1.0017672014495038 Energy: 1.0076276074975608 Energy: 1.005908520188807 Energy: 1.0016652407548066 Energy: 1.2058273003001994 Energy: 1.0085039714420572 Energy: 1.2131162108273568 Energy: 1.0141516392256147 Energy: 1.0108241447462563 Energy: 1.0105722289797623 Energy: 1.0141868337476776 Energy: 1.0133440740824193 Energy: 1.0070125568023534 Energy: 1.212799699971124 Energy: 1.0026217944423683 Energy: 1.0063758477570435 Energy: 1.006934329368675 Energy: 1.006499598583259 Energy: 1.2140192271963326 minimum gb energy = 1.0013609629997777 eV minimum distance = 2.17093818135384 Angstroms sigma value = 23