Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000 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=3.521391749382019 cohesive_energy=4.450349978306984 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.022218727289704403 Energy: 0.6788960734718427 Energy: 0.7386176342009193 Energy: 0.6788527034943984 Energy: 0.022218727289704403 Energy: 0.6788960734718427 Energy: 0.7386176342009193 Energy: 0.7379014162300168 Energy: 0.02239668752199236 Energy: 0.36401143968780797 Energy: 0.02244070674440469 Energy: 0.7379014162300168 Energy: 0.02239668752199236 Energy: 0.36401143968780797 Energy: 0.022218727289704403 Energy: 0.6788960734718427 Energy: 0.7386176342009193 Energy: 0.6788527034943984 Energy: 0.022218727289704403 Energy: 0.6788960734718427 Energy: 0.7386176342009193 Energy: 0.7379014162300168 Energy: 0.02239668752199236 Energy: 0.36401143968780797 Energy: 0.02244070674440469 Energy: 0.7379014162300168 Energy: 0.02239668752199236 Energy: 0.36401143968780797 Energy: 0.022218727289704403 Energy: 0.6788960734718427 Energy: 0.7386176342009193 Energy: 0.6788527034943984 Energy: 0.022218727289704403 Energy: 0.6788960734718427 Energy: 0.7386176342009193 Energy: 0.7379014162300168 Energy: 0.02239668752199236 Energy: 0.36401143968780797 Energy: 0.02244070674440469 Energy: 0.7379014162300168 Energy: 0.02239668752199236 Energy: 0.36401143968780797 minimum gb energy = 0.022218727289704403 eV minimum distance = 2.471559519359 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.7416592038026943 Energy: 1.735944845846207 Energy: 1.8893277531580335 Energy: 1.7355710070613322 Energy: 1.7416592038026943 Energy: 1.735944845846207 Energy: 1.88932775315481 Energy: 1.6274287309143687 Energy: 1.6311685837337588 Energy: 1.7523647807374996 Energy: 1.6627471892302534 Energy: 1.6274287309175923 Energy: 1.6311685837240881 Energy: 1.7523647807342762 Energy: 1.6244577877202162 Energy: 1.6427553764090097 Energy: 1.8166180793871143 Energy: 1.6429217589917078 Energy: 1.6244577877202162 Energy: 1.642755376405786 Energy: 1.8166180793903381 Energy: 1.7423256684130108 Energy: 1.6914344444292997 Energy: 1.8086664291752919 Energy: 1.6558907337439415 Energy: 1.7423256684130108 Energy: 1.6914344444292997 Energy: 1.8086664291785155 Energy: 1.631219413117819 Energy: 1.605420862895072 Energy: 1.8545503876764282 Energy: 1.6848691098275308 Energy: 1.631219413124266 Energy: 1.605420862895072 Energy: 1.8473355572854062 Energy: 1.6991632242794132 Energy: 1.7255252290098477 Energy: 1.6922290151079644 Energy: 1.6518037521768032 Energy: 1.6991632242890842 Energy: 1.7255252290130711 Energy: 1.6922290151111878 Energy: 1.6270728623430335 Energy: 1.7092195892833477 Energy: 1.9197105864559683 Energy: 1.7081918988768625 Energy: 1.6270728623365864 Energy: 1.7092195892833477 Energy: 1.9197105864527446 Energy: 1.627141407863382 Energy: 1.649030419991106 Energy: 1.8477844879855059 Energy: 1.6911588618740565 Energy: 1.6271414078569346 Energy: 1.6490304199943295 Energy: 1.8477844879790586 Energy: 1.6048514428185716 Energy: 1.6498389965336326 Energy: 1.7150192977779353 Energy: 1.6445509319091456 Energy: 1.6048514428089011 Energy: 1.649838996536856 Energy: 1.7150192977811585 Energy: 1.6270621110145371 Energy: 1.7266179724692299 Energy: 1.8118981521990982 Energy: 1.6454246673870436 Energy: 1.6270621110145371 Energy: 1.7266179724724535 Energy: 1.8118981521894277 Energy: 1.6420108939392533 Energy: 1.6319383351250423 Energy: 1.7216134970075068 Energy: 1.6970878510795564 Energy: 1.6420108939392533 Energy: 1.6319383351250423 Energy: 1.7216134970075068 Energy: 1.6745881255392052 Energy: 1.7296949460049114 Energy: 1.8086556412855144 Energy: 1.674209821205836 Energy: 1.6745881255424289 Energy: 1.729694946001688 Energy: 1.8086556412822912 Energy: 1.7950719297683202 Energy: 1.6922961673176862 Energy: 1.8792158772352292 Energy: 1.672081383004044 Energy: 1.7950719297683202 Energy: 1.69229616732091 Energy: 1.8792158772352292 Energy: 1.6174428837968131 Energy: 1.6963758657303372 Energy: 1.8242761929751437 Energy: 1.643648175009272 Energy: 1.6174428837935897 Energy: 1.6963758657335608 Energy: 1.8242761929654732 Energy: 1.6435891995456844 Energy: 1.6335873206105924 Energy: 1.7779819905599294 Energy: 1.6446294004922286 Energy: 1.6435891995489078 Energy: 1.6335873206041454 Energy: 1.7779819905534824 Energy: 1.6860115506873299 Energy: 1.7964039413585227 Energy: 1.8919453369804178 Energy: 1.7521960201644995 Energy: 1.686011550684106 Energy: 1.7964039413585227 Energy: 1.8919453369771944 Energy: 1.6351705501764726 Energy: 1.653938953049084 Energy: 1.712038583450614 Energy: 1.6630040563963973 Energy: 1.6351705501764726 Energy: 1.6539389530587545 Energy: 1.7120385834473903 Energy: 1.6293129733702263 Energy: 1.6044290947954107 Energy: 1.8014127720033835 Energy: 1.6523103912714268 Energy: 1.6293129733702263 Energy: 1.6044290947954107 Energy: 1.8014127720066069 Energy: 1.6626627706292203 Energy: 1.6434290818220076 Energy: 1.8469995872198228 Energy: 1.6509375881216306 Energy: 1.6626627706292203 Energy: 1.643429081825231 Energy: 1.8469995872165994 Energy: 1.6264037598272822 Energy: 1.6072745885692814 Energy: 1.7135687700496516 Energy: 1.700963456704352 Energy: 1.626403759830506 Energy: 1.6072745885692814 Energy: 1.7135687700367574 Energy: 1.6267489263147838 Energy: 1.7367786998630037 Energy: 1.8012702471193371 Energy: 1.6524925250066895 Energy: 1.6267489263115602 Energy: 1.7367786998662273 Energy: 1.8012702471161135 Energy: 1.6289849702762154 Energy: 1.7102168232098087 Energy: 1.905845938377016 Energy: 1.6251325521168485 Energy: 1.6289849702697683 Energy: 1.710216823216256 Energy: 1.9058459383737925 Energy: 1.6384934712970147 Energy: 1.6478255334430143 Energy: 1.851911214866961 Energy: 1.6832524119752605 Energy: 1.6384934713002384 Energy: 1.6478255334365672 Energy: 1.8519112148701844 Energy: 1.6859623300060838 Energy: 1.6200004008892053 Energy: 1.7613171106309817 Energy: 1.6933251372678488 Energy: 1.6859623299996367 Energy: 1.6200004008859816 Energy: 1.7613171106213108 Energy: 1.623775232303422 Energy: 1.7270783114191959 Energy: 1.8331261938328778 Energy: 1.6438908462888842 Energy: 1.6237752323066457 Energy: 1.727078311415972 Energy: 1.8466700140392533 Energy: 1.6630803172174653 Energy: 1.6293024310830255 Energy: 1.7503427341662319 Energy: 1.745602946722936 Energy: 1.663080317220689 Energy: 1.6293024310862492 Energy: 1.7503427341597846 Energy: 1.7274887397133498 Energy: 1.6402391376492962 Energy: 1.749003538819435 Energy: 1.6441951912277133 Energy: 1.7274887397133498 Energy: 1.6402391376525198 Energy: 1.7490035388226584 Energy: 1.7417328520407813 Energy: 1.69114631896806 Energy: 1.8398192572225684 Energy: 1.688991139398721 Energy: 1.7417328520407813 Energy: 1.69114631896806 Energy: 1.8398192572225684 Energy: 1.6745186537034018 Energy: 1.6569673246787424 Energy: 1.8530269550911627 Energy: 1.640350687555486 Energy: 1.6745186537034018 Energy: 1.6569673246722951 Energy: 1.8530269550879395 Energy: 1.645475949023816 Energy: 1.682835346049977 Energy: 1.8752991822753413 Energy: 1.6285587879230985 Energy: 1.645475949030263 Energy: 1.6828353460532002 Energy: 1.8752991822785647 Energy: 1.6237641424034754 Energy: 1.7328839302027714 Energy: 1.86847471151588 Energy: 1.7755378312597383 Energy: 1.6237641424034754 Energy: 1.732883930205995 Energy: 1.8684747115094331 Energy: 1.6725046157723569 Energy: 1.6965015294063641 Energy: 1.6787585372908616 Energy: 1.625188666082022 Energy: 1.6725046157626862 Energy: 1.6965015294095875 Energy: 1.6787585372908616 Energy: 1.6593907248841502 Energy: 1.6853884699111974 Energy: 1.9205655724245227 Energy: 1.6365463376535765 Energy: 1.6593907248744795 Energy: 1.6853884699144208 Energy: 1.9205655724212995 Energy: 1.6633847826451356 Energy: 1.6267061637322016 Energy: 1.9044522240131512 Energy: 1.690814229992511 Energy: 1.6633847826451356 Energy: 1.6267061637289777 Energy: 1.9044522240099275 Energy: 1.6251572275428219 Energy: 1.6331083742994115 Energy: 1.684185814586129 Energy: 1.7131162462981224 Energy: 1.6251572275395987 Energy: 1.6331083742994115 Energy: 1.6841858145732347 Energy: 1.626650765723758 Energy: 1.7263595518653847 Energy: 1.857217827642704 Energy: 1.6478442380357896 Energy: 1.6266507657173113 Energy: 1.7263595518718315 Energy: 1.8572178276394806 Energy: 1.6198923160518803 Energy: 1.6510296973131078 Energy: 1.8200961751338713 Energy: 1.643375346478656 Energy: 1.6198923160583274 Energy: 1.6510296973163314 Energy: 1.8200961751242009 Energy: 1.6224786931760162 Energy: 1.655312222362789 Energy: 1.780786176897343 Energy: 1.6428856848689626 Energy: 1.6224786931760162 Energy: 1.655312222362789 Energy: 1.7807861769005666 Energy: 1.6608850894863998 Energy: 1.6655760745858172 Energy: 1.8359888810112956 Energy: 1.6697703240297503 Energy: 1.6608850894799527 Energy: 1.6655760745761465 Energy: 1.8359888810048486 Energy: 1.6837108035387824 Energy: 1.811580342375176 Energy: 1.8136024848450427 Energy: 1.7467204131081422 Energy: 1.683710803542006 Energy: 1.8115803423719523 Energy: 1.8136024848482661 Energy: 1.6901013916616283 Energy: 1.6457997080739297 Energy: 1.7783576353568273 Energy: 1.6836716587828444 Energy: 1.6901013916551813 Energy: 1.6457997080770945 Energy: 1.778357635360051 Energy: 1.6817459890480368 Energy: 1.6421357449628005 Energy: 1.8238029385067274 Energy: 1.661961822647221 Energy: 1.6817459890448132 Energy: 1.6421357449660239 Energy: 1.8238029385067274 Energy: 1.7945842418384534 Energy: 1.670143542333918 Energy: 1.82882189371823 Energy: 1.694891012828423 Energy: 1.794584241841677 Energy: 1.670143542333918 Energy: 1.8288218937150063 Energy: 1.6809074802742812 Energy: 1.6885702730321586 Energy: 1.8089003221437097 Energy: 1.6988193816757888 Energy: 1.6809074802710577 Energy: 1.688570273035382 Energy: 1.8089003221340976 Energy: 1.6198877918468786 Energy: 1.6446069937954657 Energy: 1.8800592402472291 Energy: 1.657323638601962 Energy: 1.619887791850102 Energy: 1.6446069937954657 Energy: 1.8800592402568999 Energy: 1.6267024325340478 Energy: 1.7019506319834206 Energy: 1.885538169005475 Energy: 1.775490156559335 Energy: 1.6267024325308244 Energy: 1.7019506319769733 Energy: 1.8855381690022517 Energy: 1.6047604311789243 Energy: 1.7084706734916608 Energy: 1.6952005831662462 Energy: 1.6275048444066182 Energy: 1.6047604311821477 Energy: 1.7084706734884372 Energy: 1.695200583163023 minimum gb energy = 1.6044290947954107 eV minimum distance = 2.20978907142569 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.6877479449336996 Energy: 1.665680955733581 Energy: 1.8748231770547934 Energy: 1.6651491915997954 Energy: 1.6877479449336996 Energy: 1.665680955729922 Energy: 1.9159586657213956 Energy: 1.626385214322259 Energy: 1.756137147461336 Energy: 1.769413720922128 Energy: 1.6583457658921628 Energy: 1.626385214325918 Energy: 1.756137147461336 Energy: 1.769413720925787 Energy: 1.6141686764674805 Energy: 1.6343138608875967 Energy: 1.8087045479267065 Energy: 1.6343599604700556 Energy: 1.6141686764711398 Energy: 1.6343138608875967 Energy: 1.8087045479267065 Energy: 1.675260577458096 Energy: 1.6665399370368674 Energy: 1.811734921328807 Energy: 1.643052355241416 Energy: 1.675260577458096 Energy: 1.6665399370368674 Energy: 1.811734921328807 Energy: 1.688892021563274 Energy: 1.6531210448974287 Energy: 1.7296247708448778 Energy: 1.6456078514563472 Energy: 1.6888920215559557 Energy: 1.653121044901021 Energy: 1.7296247708448778 Energy: 1.6186613004708832 Energy: 1.640061133799833 Energy: 1.7530645497118327 Energy: 1.662955378856295 Energy: 1.6186613004708832 Energy: 1.640061133799833 Energy: 1.753064549715425 Energy: 1.6125078986705863 Energy: 1.68777412109988 Energy: 1.8493009848972566 Energy: 1.6556531747923302 Energy: 1.6125078986669272 Energy: 1.68777412109988 Energy: 1.9145667569262534 Energy: 1.612007637226049 Energy: 1.6461730456644454 Energy: 1.9314173654307494 Energy: 1.6917604465648564 Energy: 1.612007637226049 Energy: 1.6461730456607868 Energy: 1.9524916261206218 Energy: 1.6238006079652294 Energy: 1.6469588588064585 Energy: 1.7326637948880375 Energy: 1.635197407315784 Energy: 1.6238006079652294 Energy: 1.6469588588064585 Energy: 1.7054001578347417 Energy: 1.6833162524570662 Energy: 1.6844893783033161 Energy: 1.7697099883386567 Energy: 1.6346053504719729 Energy: 1.6833162524570662 Energy: 1.6844893783033161 Energy: 1.7640920916455947 Energy: 1.6741970727377007 Energy: 1.67602269627444 Energy: 1.8131301627991914 Energy: 1.6336064546466857 Energy: 1.6741970727377007 Energy: 1.6760226962817582 Energy: 1.834965618271408 Energy: 1.6133993489344507 Energy: 1.6380000848765295 Energy: 1.8254125008988713 Energy: 1.669905097806698 Energy: 1.6133993489344507 Energy: 1.6380000848765295 Energy: 1.8254125008988713 Energy: 1.6250547217646054 Energy: 1.6478121385991853 Energy: 1.8321084556714418 Energy: 1.642481591535779 Energy: 1.6250547217682647 Energy: 1.6478121385991853 Energy: 1.7943935277954048 Energy: 1.6343647686153642 Energy: 1.665680955729922 Energy: 1.9062473468988792 Energy: 1.6651491915997954 Energy: 1.6343647686153642 Energy: 1.665680955729922 Energy: 1.87508644333591 Energy: 1.626385214322259 Energy: 1.756137147461336 Energy: 1.769413720922128 Energy: 1.6545657699513894 Energy: 1.626385214325918 Energy: 1.756137147461336 Energy: 1.769413720925787 Energy: 1.6141686764674805 Energy: 1.6343138608875967 Energy: 1.808704547930299 Energy: 1.6343599604700556 Energy: 1.6141686764711398 Energy: 1.6343138608875967 Energy: 1.8087045479267065 Energy: 1.675260577454437 Energy: 1.662393561645163 Energy: 1.811734921328807 Energy: 1.643052355241416 Energy: 1.675260577458096 Energy: 1.662393561645163 Energy: 1.811734921328807 Energy: 1.688892021563274 Energy: 1.6497262030960012 Energy: 1.8161697143791748 Energy: 1.6456078514563472 Energy: 1.6888920215559557 Energy: 1.6497262030923419 Energy: 1.8161697143755162 Energy: 1.6195278585988697 Energy: 1.6400611338034257 Energy: 1.7530645497118327 Energy: 1.662955378856295 Energy: 1.6195278585988697 Energy: 1.640061133799833 Energy: 1.7530645497118327 Energy: 1.6125078986669272 Energy: 1.68777412109988 Energy: 1.9145667569262534 Energy: 1.6556531747923302 Energy: 1.6125078986669272 Energy: 1.68777412109988 Energy: 1.986371831693356 Energy: 1.612007637229708 Energy: 1.6461730456644454 Energy: 1.9524916261169627 Energy: 1.6917604465648564 Energy: 1.612007637226049 Energy: 1.6461730456644454 Energy: 1.9524916261169627 Energy: 1.6238006079652294 Energy: 1.6469588588027995 Energy: 1.741041409407354 Energy: 1.635197407315784 Energy: 1.6238006079652294 Energy: 1.6469588588027995 Energy: 1.741041409411013 Energy: 1.6833162524570662 Energy: 1.6844893783033161 Energy: 1.7480834450475258 Energy: 1.6346053504719729 Energy: 1.6833162524570662 Energy: 1.6844893783033161 Energy: 1.7946191547886154 Energy: 1.6741970727377007 Energy: 1.6726146375771718 Energy: 1.7704277586882589 Energy: 1.6336064546466857 Energy: 1.6741970727377007 Energy: 1.6726146375735127 Energy: 1.794946693290848 Energy: 1.6174697864792518 Energy: 1.6380000848728706 Energy: 1.772019874838837 Energy: 1.669905097806698 Energy: 1.6174697864829106 Energy: 1.6380000848801888 Energy: 1.7833783375500758 Energy: 1.6204945535159043 Energy: 1.6478121385955262 Energy: 1.833556503649147 Energy: 1.642481591535779 Energy: 1.6204945535159043 Energy: 1.6478121385991853 Energy: 1.8026206870649426 Energy: 1.6877479449336996 Energy: 1.665680955729922 Energy: 1.8840973968789274 Energy: 1.6651491915997954 Energy: 1.6877479449336996 Energy: 1.665680955729922 Energy: 1.8840973968789274 Energy: 1.626385214322259 Energy: 1.756137147461336 Energy: 1.769413720922128 Energy: 1.6583457658921628 Energy: 1.626385214322259 Energy: 1.7561371474576772 Energy: 1.769413720922128 Energy: 1.6141686764674805 Energy: 1.6343138608875967 Energy: 1.8087045479267065 Energy: 1.6343599604700556 Energy: 1.6141686764711398 Energy: 1.6343138608875967 Energy: 1.8087045479267065 Energy: 1.675260577458096 Energy: 1.6665399370332084 Energy: 1.811734921328807 Energy: 1.643052355241416 Energy: 1.675260577458096 Energy: 1.6665399370332084 Energy: 1.811734921328807 Energy: 1.688892021563274 Energy: 1.653121044901021 Energy: 1.8161697143755162 Energy: 1.6456078514563472 Energy: 1.6888920215559557 Energy: 1.653121044901021 Energy: 1.8161697143719238 Energy: 1.6186613004708832 Energy: 1.6400611338034257 Energy: 1.7530645497118327 Energy: 1.662955378856295 Energy: 1.6186613004708832 Energy: 1.640061133799833 Energy: 1.753064549715425 Energy: 1.6125078986705863 Energy: 1.68777412109988 Energy: 1.9145667569299123 Energy: 1.6556531747886714 Energy: 1.6125078986669272 Energy: 1.68777412109988 Energy: 1.986371831693356 Energy: 1.612007637226049 Energy: 1.6461730456644454 Energy: 1.9524916261133036 Energy: 1.691760446561197 Energy: 1.612007637229708 Energy: 1.6461730456607868 Energy: 1.9524916261169627 Energy: 1.6238006079652294 Energy: 1.6469588588027995 Energy: 1.7195255189499716 Energy: 1.635197407315784 Energy: 1.6238006079652294 Energy: 1.6469588588064585 Energy: 1.7195255189463123 Energy: 1.683316252453407 Energy: 1.6844893783033161 Energy: 1.7281666153589827 Energy: 1.6346053504719729 Energy: 1.683316252453407 Energy: 1.6844893783033161 Energy: 1.7480834450438667 Energy: 1.6741970727377007 Energy: 1.676022696278099 Energy: 1.7704277586845998 Energy: 1.6336064546466857 Energy: 1.6741970727377007 Energy: 1.6760226962817582 Energy: 1.7704277586845998 Energy: 1.6133993489344507 Energy: 1.6380000848765295 Energy: 1.772019874838837 Energy: 1.669905097806698 Energy: 1.6133993489307918 Energy: 1.6380000848765295 Energy: 1.7836834030579454 Energy: 1.6250547217646054 Energy: 1.6478121385955262 Energy: 1.8200913256152769 Energy: 1.642481591535779 Energy: 1.6250547217646054 Energy: 1.6478121385955262 Energy: 1.8518224531643563 Energy: 1.6343647686153642 Energy: 1.665680955729922 Energy: 1.8840973968789274 Energy: 1.6651491915997954 Energy: 1.6343647686153642 Energy: 1.665680955729922 Energy: 1.8840973968789274 Energy: 1.626385214322259 Energy: 1.756137147461336 Energy: 1.7694137209184688 Energy: 1.6545657699513894 Energy: 1.626385214325918 Energy: 1.7561371474576772 Energy: 1.769413720925787 minimum gb energy = 1.612007637226049 eV minimum distance = 2.23481444018867 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.7784412367895388 Energy: 1.6584010768835589 Energy: 1.808728304143871 Energy: 1.6615098511827868 Energy: 1.7784412367899616 Energy: 1.6584010768844037 Energy: 1.8250150278367707 Energy: 1.7239063762766227 Energy: 1.6461997324975974 Energy: 1.74701011296265 Energy: 1.6597826042451405 Energy: 1.7239063762757778 Energy: 1.6461997324971753 Energy: 1.7470101129605373 Energy: 1.6773581063598768 Energy: 1.7135285983713164 Energy: 1.8805842621105124 Energy: 1.6913154577135363 Energy: 1.6773581063611442 Energy: 1.7135285983704713 Energy: 1.8500870338657804 Energy: 1.6814369686271702 Energy: 1.6584283010531222 Energy: 1.839695699344913 Energy: 1.7107034481411245 Energy: 1.6814369686259028 Energy: 1.6584283010501648 Energy: 1.8396956993457576 Energy: 1.6893983725361488 Energy: 1.6800721054387793 Energy: 1.8337643033509932 Energy: 1.698633070060372 Energy: 1.6893983725361488 Energy: 1.6800721054379344 Energy: 1.833764303351838 Energy: 1.714428097421993 Energy: 1.6370745352228884 Energy: 1.696902085304268 Energy: 1.636819340719199 Energy: 1.7144280974215702 Energy: 1.6370745352224658 Energy: 1.6969020853034225 Energy: 1.7016096518300672 Energy: 1.7761775513366247 Energy: 1.8364648265527972 Energy: 1.7002897678958344 Energy: 1.7016096518283772 Energy: 1.7761775513362026 Energy: 1.8364648265523744 Energy: 1.7039623427222312 Energy: 1.6730510749468108 Energy: 1.7476297521057813 Energy: 1.707438128273475 Energy: 1.703962342723499 Energy: 1.6730510749468108 Energy: 1.7476297521049362 Energy: 1.689043929970359 Energy: 1.6445990985547683 Energy: 1.8136891323687827 Energy: 1.6499775494118012 Energy: 1.6890439299707818 Energy: 1.6445990985535006 Energy: 1.8432024283938102 Energy: 1.6934804383682975 Energy: 1.7160651373084952 Energy: 1.8651014426179464 Energy: 1.7299365816777361 Energy: 1.6934804383687196 Energy: 1.7160651373084952 Energy: 1.8651014426187913 Energy: 1.7660499507045624 Energy: 1.7230171868120707 Energy: 1.8352794623072344 Energy: 1.6519068354673454 Energy: 1.7660499507045624 Energy: 1.7230171868112258 Energy: 1.8352794623068118 Energy: 1.6959100275191072 Energy: 1.7252074599812774 Energy: 1.7832998682079086 Energy: 1.702028635794516 Energy: 1.6959100275207972 Energy: 1.7252074599816998 Energy: 1.7832998682066412 Energy: 1.6737637209133784 Energy: 1.6391515762877829 Energy: 1.8054834692440636 Energy: 1.7018847173085403 Energy: 1.6737637209133784 Energy: 1.6391515762886282 Energy: 1.8054834692423734 Energy: 1.6786346395656069 Energy: 1.720773022618887 Energy: 1.7475006944020557 Energy: 1.7127981356960689 Energy: 1.6786346395664522 Energy: 1.7207730226218063 Energy: 1.7475006944037457 Energy: 1.7347086443998654 Energy: 1.66091888003097 Energy: 1.768275992186762 Energy: 1.6661528940047077 Energy: 1.7347086443998654 Energy: 1.6609188800318149 Energy: 1.7682759921876072 Energy: 1.7388832937672527 Energy: 1.7169774620667837 Energy: 1.7715154920565188 Energy: 1.7177744807914375 Energy: 1.7388832937680978 Energy: 1.7169774620659384 Energy: 1.771515492055674 Energy: 1.7543109107804622 Energy: 1.6336456983431469 Energy: 1.7848091210966897 Energy: 1.689456492640432 Energy: 1.7543109107800394 Energy: 1.633645698343569 Energy: 1.784809121097112 Energy: 1.6686461610926842 Energy: 1.7604106495948282 Energy: 1.7038459312279657 Energy: 1.716012506019729 Energy: 1.6686461610943741 Energy: 1.7604106495939833 Energy: 1.7038459312271206 Energy: 1.6713718260894728 Energy: 1.6705329506281983 Energy: 1.8586059336872196 Energy: 1.7022964569137387 Energy: 1.671371826087783 Energy: 1.6705329506290436 Energy: 1.8586059336889096 Energy: 1.7028788776468458 Energy: 1.6732482328584994 Energy: 1.7658302915520743 Energy: 1.7054992815150058 Energy: 1.7028788776472683 Energy: 1.6732482328568095 Energy: 1.7658302915533417 Energy: 1.6984120128133744 Energy: 1.7005760082826988 Energy: 1.8449116417272562 Energy: 1.7353953106935462 Energy: 1.6984120128133744 Energy: 1.700576008283544 Energy: 1.8449116417285236 Energy: 1.7153756466783734 Energy: 1.7247238276452586 Energy: 1.8736193856734682 Energy: 1.6544946840242942 Energy: 1.7153756466800634 Energy: 1.7247238276448364 Energy: 1.8736193856747354 Energy: 1.7316743552330764 Energy: 1.6903373656486864 Energy: 1.7703205937285007 Energy: 1.679913704711005 Energy: 1.731674355232654 Energy: 1.6903373656495313 Energy: 1.7703205937268105 Energy: 1.6886812403788538 Energy: 1.6664731451770676 Energy: 1.801915948892929 Energy: 1.6607210208248657 Energy: 1.6886812403788538 Energy: 1.6664731451758004 Energy: 1.801915948892929 Energy: 1.7055153328646475 Energy: 1.6962252070516497 Energy: 1.7928910437053442 Energy: 1.6716483177153891 Energy: 1.7055153328650703 Energy: 1.6962252070520722 Energy: 1.7928910437044991 Energy: 1.7846186372366328 Energy: 1.7279795207286042 Energy: 1.689451528319139 Energy: 1.7612892311634474 Energy: 1.7846186372370556 Energy: 1.7279795207294493 Energy: 1.6894515283174487 Energy: 1.7799995817118008 Energy: 1.6597110645975508 Energy: 1.8284197728148008 Energy: 1.6566439977953833 Energy: 1.7799995817118008 Energy: 1.6597110645962831 Energy: 1.8284197728139553 Energy: 1.7433774561178497 Energy: 1.6466645471796644 Energy: 1.7414940147148594 Energy: 1.7081510037913297 Energy: 1.7433774561178497 Energy: 1.6466645471813546 Energy: 1.7414940147152818 Energy: 1.676732179106183 Energy: 1.71372689726164 Energy: 1.881322768579523 Energy: 1.7031237805823727 Energy: 1.676732179106183 Energy: 1.7137268972645974 Energy: 1.8813227685774105 Energy: 1.6812366713793359 Energy: 1.6599947708181169 Energy: 1.9044260484314743 Energy: 1.7115929906943614 Energy: 1.6812366713797586 Energy: 1.6599947708185394 Energy: 1.904426048431897 Energy: 1.6911117255248909 Energy: 1.6802198147519622 Energy: 1.8479606353393263 Energy: 1.6983932966907818 Energy: 1.6911117255223558 Energy: 1.6802198147511176 Energy: 1.8479606353397486 Energy: 1.7110467247185652 Energy: 1.6593821607297747 Energy: 1.7740033890748381 Energy: 1.6367150645887585 Energy: 1.7110467247181431 Energy: 1.6593821607289296 Energy: 1.7740033890739932 Energy: 1.7015432728980813 Energy: 1.7787605902368373 Energy: 1.835125643063139 Energy: 1.695589382956701 Energy: 1.7015432728980813 Energy: 1.7787605902364145 Energy: 1.8351256430627165 Energy: 1.7040303261165906 Energy: 1.6738628532502626 Energy: 1.7475430017967617 Energy: 1.6994752552684338 Energy: 1.7040303261165906 Energy: 1.6738628532502626 Energy: 1.7475430017984517 Energy: 1.687696240400018 Energy: 1.6373593395641555 Energy: 1.8031801690220197 Energy: 1.6646080544478619 Energy: 1.687696240398328 Energy: 1.637359339564578 Energy: 1.8031801690220197 Energy: 1.6903969376896881 Energy: 1.7158902491061658 Energy: 1.8018030591570189 Energy: 1.7346759846245727 Energy: 1.6903969376884205 Energy: 1.7158902491053207 Energy: 1.8018030591549061 minimum gb energy = 1.6336456983431469 eV minimum distance = 2.23960949521727 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.6514562470891863 Energy: 1.6793883532419889 Energy: 1.8247570287136545 Energy: 1.675888809814666 Energy: 1.651456247085197 Energy: 1.6793883532474287 Energy: 1.7802025683915672 Energy: 1.6307581658838333 Energy: 1.6554963527628321 Energy: 1.7350308026788936 Energy: 1.6553371201132372 Energy: 1.6307581658818389 Energy: 1.6554963527613364 Energy: 1.735030802678395 Energy: 1.651286801955278 Energy: 1.577045129843296 Energy: 1.6554102353277333 Energy: 1.6049918690879497 Energy: 1.6512868019562754 Energy: 1.5770451298427974 Energy: 1.6802914786168162 Energy: 1.632072219176527 Energy: 1.6554498589165545 Energy: 1.7353998062650793 Energy: 1.7280980413793836 Energy: 1.632072219172583 Energy: 1.6554498589190476 Energy: 1.7353998062615887 Energy: 1.7005444675499202 Energy: 1.6011340612492386 Energy: 1.6030495112586383 Energy: 1.6030769109510157 Energy: 1.7005444675539094 Energy: 1.6011340612477427 Energy: 1.603049511257641 Energy: 1.6474589041216605 Energy: 1.6546909260430887 Energy: 1.6621456785883952 Energy: 1.723218474637378 Energy: 1.6474589041236554 Energy: 1.654690926039598 Energy: 1.6621456785898912 Energy: 1.8424221885111525 Energy: 1.6025176303205104 Energy: 1.6258797264491236 Energy: 1.604931802646897 Energy: 1.8424221885121497 Energy: 1.6025176303155242 Energy: 1.6258797264476728 Energy: 1.6323997232384713 Energy: 1.6485617937534494 Energy: 1.7277078129547183 Energy: 1.6485237696134443 Energy: 1.6323997232359782 Energy: 1.6485617937569397 Energy: 1.7277078129547183 Energy: 1.8424497355177833 Energy: 1.6019411118477416 Energy: 1.7564838423703968 Energy: 1.6025066324343715 Energy: 1.8424497355127971 Energy: 1.6019411118467444 Energy: 1.7284565593186147 Energy: 1.6473383626180191 Energy: 1.7234996005813104 Energy: 1.662173124628988 Energy: 1.654677243023719 Energy: 1.647338362618518 Energy: 1.72349960057782 Energy: 1.66217312463198 Energy: 1.7005596875769164 Energy: 1.603252568297841 Energy: 1.8789309858262102 Energy: 1.6012170890696775 Energy: 1.7005596875794098 Energy: 1.6032525683003342 Energy: 1.6922752382829003 Energy: 1.6321639626814257 Energy: 1.7280885180494834 Energy: 1.7356355321896475 Energy: 1.6553893758378506 Energy: 1.6321639626819244 Energy: 1.728088518045494 Energy: 1.7356355321876529 Energy: 1.6514133309633212 Energy: 1.6049827370574088 Energy: 1.6523114799747858 Energy: 1.5769867661080512 Energy: 1.6514133309648171 Energy: 1.6049827370589045 Energy: 1.652311479969799 Energy: 1.6307726563233917 Energy: 1.655237962240259 Energy: 1.7351471856544085 Energy: 1.6554633399236562 Energy: 1.6307726563243892 Energy: 1.6552379622407578 Energy: 1.7351471856549072 Energy: 1.6514562470886875 Energy: 1.6793883532429863 Energy: 1.7303286811919167 Energy: 1.675888809816162 Energy: 1.6514562470861944 Energy: 1.6793883532479272 Energy: 1.7303286811944099 Energy: 1.6307581658828358 Energy: 1.6554963527638296 Energy: 1.7350308026788936 Energy: 1.6553371201117413 Energy: 1.6307581658808414 Energy: 1.6554963527633308 Energy: 1.7350308026788936 Energy: 1.6512868019562754 Energy: 1.5770451298452905 Energy: 1.6618226061358947 Energy: 1.6049918690869522 Energy: 1.6512868019557767 Energy: 1.5770451298442933 Energy: 1.6618226061398838 Energy: 1.632072219176074 Energy: 1.655449858915557 Energy: 1.7353998062655782 Energy: 1.7280980413808797 Energy: 1.6320722191720844 Energy: 1.655449858917552 Energy: 1.7353998062620875 Energy: 1.7005444675499202 Energy: 1.6011340612492386 Energy: 1.6043171384742572 Energy: 1.6030769109505174 Energy: 1.7005444675539094 Energy: 1.6011340612492386 Energy: 1.603049511260089 Energy: 1.647458904121162 Energy: 1.6546909260435874 Energy: 1.6621456785893924 Energy: 1.7232184746368793 Energy: 1.6474589041226577 Energy: 1.6546909260400968 Energy: 1.6621456785898912 Energy: 1.8424221885121497 Energy: 1.602517630321009 Energy: 1.6114975519081318 Energy: 1.604931802646897 Energy: 1.8424221885126484 Energy: 1.6025176303150253 Energy: 1.6225970766614515 Energy: 1.6323997232379726 Energy: 1.648561793753948 Energy: 1.7277078129557157 Energy: 1.6485237696139425 Energy: 1.6323997232344822 Energy: 1.648561793756441 Energy: 1.727707812955217 Energy: 1.8424497355187806 Energy: 1.6019411118482403 Energy: 1.6828166345148843 Energy: 1.6025066324338733 Energy: 1.8424497355142928 Energy: 1.6019411118492375 Energy: 1.7361956824228706 Energy: 1.647338362618518 Energy: 1.723499600581809 Energy: 1.662173124628988 Energy: 1.654677243023719 Energy: 1.647338362619515 Energy: 1.7234996005788172 Energy: 1.66217312463198 Energy: 1.7005596875769164 Energy: 1.603252568298838 Energy: 1.9260675258869073 Energy: 1.601217089070675 Energy: 1.7005596875794098 Energy: 1.6032525683008327 Energy: 1.926067525887406 Energy: 1.6321639626814257 Energy: 1.7280885180504806 Energy: 1.7356355321886503 Energy: 1.655389375837352 Energy: 1.632163962680927 Energy: 1.728088518045494 Energy: 1.735635532186701 Energy: 1.6514133309638195 Energy: 1.6049827370574088 Energy: 1.6523114799747858 Energy: 1.576986766109547 Energy: 1.6514133309658143 Energy: 1.6049827370594032 Energy: 1.6523114799688017 Energy: 1.6307726563228935 Energy: 1.6552379622407578 Energy: 1.735147185655406 Energy: 1.6554633399241552 Energy: 1.6307726563238905 Energy: 1.655237962241256 Energy: 1.7351471856559044 Energy: 1.6514562470891863 Energy: 1.6793883532424876 Energy: 1.7303286811889247 Energy: 1.6758888098151645 Energy: 1.6514562470856957 Energy: 1.6793883532474287 Energy: 1.7303286811929142 Energy: 1.6307581658838333 Energy: 1.6554963527628321 Energy: 1.7350308026788936 Energy: 1.65533712011224 Energy: 1.6307581658818389 Energy: 1.6554963527613364 Energy: 1.7350308026778962 minimum gb energy = 1.5769867661080512 eV minimum distance = 2.28154034035631 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.6842492564159923 Energy: 1.8040801992547089 Energy: 1.733901921883704 Energy: 1.8052908750672547 Energy: 1.6842492564159923 Energy: 1.8040801992534983 Energy: 1.774651849354856 Energy: 1.6859780158395719 Energy: 1.655442647368225 Energy: 1.7541008850737951 Energy: 1.6550379397932211 Energy: 1.685978015841388 Energy: 1.6554426473664092 Energy: 1.7541008850731898 Energy: 1.6848453285901757 Energy: 1.7301885561480363 Energy: 1.7594816866977565 Energy: 1.6685832588901546 Energy: 1.6848453285901757 Energy: 1.7301885561468255 Energy: 1.7594816866971512 Energy: 1.647708041619336 Energy: 1.6647361962552174 Energy: 1.7890101928390543 Energy: 1.6342438213601593 Energy: 1.647708041619336 Energy: 1.6647361962558227 Energy: 1.7890101928390543 Energy: 1.6184834743593373 Energy: 1.5788543304476805 Energy: 1.6296106404475184 Energy: 1.6585844042058984 Energy: 1.618483474358732 Energy: 1.5788543304470752 Energy: 1.6296106404511503 Energy: 1.6479622704345995 Energy: 1.5980647299985296 Energy: 1.7002208486990036 Energy: 1.66085457496886 Energy: 1.6479622704358101 Energy: 1.5980647300027673 Energy: 1.700220848699609 Energy: 1.7367968551555675 Energy: 1.579530221851896 Energy: 1.635210865009944 Energy: 1.65755488032497 Energy: 1.736796855156173 Energy: 1.5795302218531067 Energy: 1.6352108650111545 Energy: 1.6743023404914623 Energy: 1.7134216986018151 Energy: 1.8015644151449322 Energy: 1.6608497574616385 Energy: 1.6743023404908568 Energy: 1.7134216986012096 Energy: 1.8015644151443266 Energy: 1.7215617807339174 Energy: 1.6627520549836234 Energy: 1.707527170301772 Energy: 1.7846790059611402 Energy: 1.721561780732707 Energy: 1.662752054982413 Energy: 1.7075271703005612 Energy: 1.6561102922024284 Energy: 1.6624014316631424 Energy: 1.6245614595316837 Energy: 1.7406636987309472 Energy: 1.6561102922060609 Energy: 1.6624014316601157 Energy: 1.6245614595316837 Energy: 1.7737922257144119 Energy: 1.7895220380039267 Energy: 1.6774150444070266 Energy: 1.6671510665913674 Energy: 1.7737922257138068 Energy: 1.7895220380033217 Energy: 1.677415044406421 Energy: 1.565128792322556 Energy: 1.6913978895229858 Energy: 1.6368446880538692 Energy: 1.6344229636498104 Energy: 1.5651287923213453 Energy: 1.691397889522381 Energy: 1.6368446880538692 Energy: 1.7740882789601222 Energy: 1.6473753116163896 Energy: 1.6642581313408449 Energy: 1.6692214275117232 Energy: 1.774088278961938 Energy: 1.6473753116176002 Energy: 1.6378064397252359 Energy: 1.565066404636097 Energy: 1.6912194640402645 Energy: 1.6798995441432525 Energy: 1.6996830692324127 Energy: 1.565066404634886 Energy: 1.69121946404087 Energy: 1.6798995441432525 Energy: 1.7524574079823558 Energy: 1.5923504450103092 Energy: 1.6257283441280548 Energy: 1.6333893656755383 Energy: 1.752457407982961 Energy: 1.5923504450084929 Energy: 1.6257283441280548 Energy: 1.556910143905205 Energy: 1.7320136607408283 Energy: 1.614281847392089 Energy: 1.6260244752663529 Energy: 1.55691014390581 Energy: 1.73201366073904 Energy: 1.6142818473908782 Energy: 1.7533238337365895 Energy: 1.59255947208419 Energy: 1.6166377625949104 Energy: 1.6331500120228624 Energy: 1.753323833737195 Energy: 1.5925594720835847 Energy: 1.616637762591278 Energy: 1.55698484960909 Energy: 1.6663620993665338 Energy: 1.619280789180796 Energy: 1.7213435473230445 Energy: 1.5569848496066685 Energy: 1.6663620993659287 Energy: 1.6192807891801906 Energy: 1.6838102071754886 Energy: 1.6379170785454806 Energy: 1.6945911429927778 Energy: 1.6334211019959937 Energy: 1.683810207176094 Energy: 1.6379170785454806 Energy: 1.6945911429927778 Energy: 1.5566559575362606 Energy: 1.7155123469845557 Energy: 1.5999196468487844 Energy: 1.7154792259569291 Energy: 1.5566559575356553 Energy: 1.7155123469833453 Energy: 1.599919646851811 Energy: 1.6840184733264798 Energy: 1.6334446090889838 Energy: 1.694477289533104 Energy: 1.5914519902052104 Energy: 1.6840184733282957 Energy: 1.6334446090883783 Energy: 1.6944772895337095 Energy: 1.5569353585267887 Energy: 1.7213899775705315 Energy: 1.61930465004051 Energy: 1.666160628095295 Energy: 1.5569353585267887 Energy: 1.7213899775699262 Energy: 1.61930465004051 Energy: 1.7531839057865453 Energy: 1.6332822644895177 Energy: 1.616528817481677 Energy: 1.5925037708956282 Energy: 1.7531839057871508 Energy: 1.633282264490123 Energy: 1.6165288174798609 Energy: 1.557041267454184 Energy: 1.6257589838259414 Energy: 1.6143262722750449 Energy: 1.7318786449437125 Energy: 1.5570412674553946 Energy: 1.6257589838277573 Energy: 1.6143262722738339 Energy: 1.752641539874971 Energy: 1.6333472919599903 Energy: 1.6515664167032693 Energy: 1.5921892465049847 Energy: 1.7526415398743656 Energy: 1.633347291961201 Energy: 1.6515664167020585 minimum gb energy = 1.5566559575356553 eV minimum distance = 2.25632076469908 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.6824723155653514 Energy: 1.7880998971121962 Energy: 1.7257360349530981 Energy: 1.788488870233829 Energy: 1.6824723155754866 Energy: 1.7880998971121962 Energy: 1.7257360349564765 Energy: 1.791183177027136 Energy: 1.7139162023967018 Energy: 1.7666001359649626 Energy: 1.696387214822136 Energy: 1.791183177027136 Energy: 1.71391620240008 Energy: 1.766600135968341 Energy: 1.675493261066836 Energy: 1.7152292626695143 Energy: 1.785847968413923 Energy: 1.7203369970589912 Energy: 1.6754932610634576 Energy: 1.7152292626661358 Energy: 1.785847968413923 Energy: 1.6239708789990122 Energy: 1.761317721336308 Energy: 1.8680754805373772 Energy: 1.7067741664824776 Energy: 1.6239708789956337 Energy: 1.7613177213227946 Energy: 1.868075480547512 Energy: 1.744571735716595 Energy: 1.633849029743219 Energy: 1.671898112168929 Energy: 1.636613674434516 Energy: 1.7445717357132784 Energy: 1.633849029749976 Energy: 1.6718981121723073 Energy: 1.6269802537023632 Energy: 1.7182509996147475 Energy: 1.7822055891386375 Energy: 1.6344704310638594 Energy: 1.6269802536989848 Energy: 1.718250999611369 Energy: 1.7822055891318807 Energy: 1.6198017339695179 Energy: 1.6333569938796886 Energy: 1.6638646079010762 Energy: 1.6398538296995733 Energy: 1.6198017339661395 Energy: 1.6333569938864452 Energy: 1.663864607907833 Energy: 1.6266143412241847 Energy: 1.7330132303443941 Energy: 1.782965197820843 Energy: 1.6229249219293904 Energy: 1.6266143412241847 Energy: 1.7330132303443941 Energy: 1.7829651978174643 Energy: 1.620473049789109 Energy: 1.6700466561430312 Energy: 1.7366539234007345 Energy: 1.6734425921162117 Energy: 1.6204730497857307 Energy: 1.6700466561497878 Energy: 1.736653923393978 Energy: 1.6461408479684796 Energy: 1.731135286144149 Energy: 1.7311273258387943 Energy: 1.6599868346412885 Energy: 1.6461408479684796 Energy: 1.7311352861407707 Energy: 1.7311273258421727 Energy: 1.6216614519801407 Energy: 1.7033588250663563 Energy: 1.7898965178595627 Energy: 1.6258053030616486 Energy: 1.621661451983519 Energy: 1.7033588250697345 Energy: 1.827379399981438 Energy: 1.6462654017016796 Energy: 1.6851537773913203 Energy: 1.842314618228788 Energy: 1.6775271695042566 Energy: 1.646265401705058 Energy: 1.6851537773913203 Energy: 1.842314618228788 Energy: 1.7542942869801517 Energy: 1.6951445640336167 Energy: 1.7783691385151519 Energy: 1.7069992787354757 Energy: 1.7542942869767735 Energy: 1.6951445640336167 Energy: 1.8163738946085455 Energy: 1.7023416052405405 Energy: 1.7941398348226074 Energy: 1.9017329648969543 Energy: 1.7361131135905794 Energy: 1.7023416052439189 Energy: 1.7941398348226074 Energy: 1.9017329649037111 Energy: 1.7548791785290536 Energy: 1.7294992715949866 Energy: 1.8898124739535316 Energy: 1.7589547460666395 Energy: 1.7548791785358104 Energy: 1.72949927159167 Energy: 1.88981247395691 Energy: 1.70230925468693 Energy: 1.68516426150167 Energy: 1.745648142041275 Energy: 1.6779805684015112 Energy: 1.7023092546801732 Energy: 1.6851642615050482 Energy: 1.745648142041275 Energy: 1.7753249052889448 Energy: 1.7022469512461798 Energy: 1.8879844427660089 Energy: 1.7068422441021271 Energy: 1.7753249052855666 Energy: 1.7022469512495582 Energy: 1.8879844427660089 Energy: 1.6458256194417986 Energy: 1.6873630920569793 Energy: 1.7731924219118311 Energy: 1.6758130248191279 Energy: 1.6458256194485552 Energy: 1.687363092050284 Energy: 1.773192421908453 Energy: 1.775805390402497 Energy: 1.7084354261088728 Energy: 1.8185652033061035 Energy: 1.731661272317757 Energy: 1.775805390402497 Energy: 1.7084354261054944 Energy: 1.8185652033128603 Energy: 1.5925576454047474 Energy: 1.7194888914291964 Energy: 1.7800583510393098 Energy: 1.632611824693686 Energy: 1.5925576453979906 Energy: 1.7194888914224395 Energy: 1.7800583510460664 Energy: 1.6317960309198274 Energy: 1.6333853018643338 Energy: 1.7736825801753986 Energy: 1.6472384667832913 Energy: 1.6317960309198274 Energy: 1.6333853018643338 Energy: 1.77368258017202 Energy: 1.5925698868257543 Energy: 1.6654022792655772 Energy: 1.7079726211855268 Energy: 1.6274196985432845 Energy: 1.5925698868257543 Energy: 1.6654022792689553 Energy: 1.7079726211855268 Energy: 1.6323894960438656 Energy: 1.6091527411274127 Energy: 1.7541244509770408 Energy: 1.778931922435244 Energy: 1.632389496040487 Energy: 1.6091527411240343 Energy: 1.754124450980419 Energy: 1.6636190639713393 Energy: 1.662712399462167 Energy: 1.6892472594378838 Energy: 1.6284632950748343 Energy: 1.6636190639578257 Energy: 1.6627123994688622 Energy: 1.6892472594412622 Energy: 1.616777733263907 Energy: 1.7094561426821846 Energy: 1.7387625628240921 Energy: 1.8542295729417844 Energy: 1.6167777332605286 Energy: 1.709456142685563 Energy: 1.7387625628240921 Energy: 1.6481896372052136 Energy: 1.744279307387956 Energy: 1.765912716005057 Energy: 1.7073042644032033 Energy: 1.6481896372052136 Energy: 1.7442793073913343 Energy: 1.765912716005057 Energy: 1.7106128765407602 Energy: 1.697780589528085 Energy: 1.6585384678402655 Energy: 1.8011294797044248 Energy: 1.7106128765407602 Energy: 1.6977805895314635 Energy: 1.6585384678301303 Energy: 1.647376821965216 Energy: 1.8459933862797542 Energy: 1.7631061808548687 Energy: 1.7494575949554587 Energy: 1.6473768219618379 Energy: 1.8459933862763758 Energy: 1.763106180858247 Energy: 1.748015600118285 Energy: 1.6892046347899337 Energy: 1.752434298771612 Energy: 1.8001023284542947 Energy: 1.7480156001115283 Energy: 1.6892046347865552 Energy: 1.752434298771612 Energy: 1.6560371326283276 Energy: 1.7391312838362756 Energy: 1.7555457408075796 Energy: 1.7897290605429708 Energy: 1.6560371326249494 Energy: 1.7391312838362756 Energy: 1.755545740804201 Energy: 1.6216293420272554 Energy: 1.6884083178581586 Energy: 1.8001088161746843 Energy: 1.7928132481321806 Energy: 1.6216293419968502 Energy: 1.6884083178547802 Energy: 1.8001088161746843 Energy: 1.6584451694982942 Energy: 1.6282228406176646 Energy: 1.6928959295823123 Energy: 1.6995848078011084 Energy: 1.6584451694982942 Energy: 1.628222840610908 Energy: 1.692895929592447 Energy: 1.6219532330009312 Energy: 1.6437924981033485 Energy: 1.811645985699781 Energy: 1.718368754213311 Energy: 1.6219532330009312 Energy: 1.6437924981033485 Energy: 1.8116459856964027 Energy: 1.6371112276417024 Energy: 1.6415335282543069 Energy: 1.6830128684040226 Energy: 1.6160045599009916 Energy: 1.637111227638324 Energy: 1.6415335282576853 Energy: 1.6830128684040226 Energy: 1.6206076651007189 Energy: 1.6115284520479403 Energy: 1.7902994407820338 Energy: 1.7082063801619303 Energy: 1.6206076650973407 Energy: 1.6115284520479403 Energy: 1.7902994407753383 Energy: 1.6218730250326991 Energy: 1.6397846208990232 Energy: 1.6481784209458998 Energy: 1.621024481492766 Energy: 1.6218730250360776 Energy: 1.6397846208956446 Energy: 1.6481784209425214 Energy: 1.6204339188264556 Energy: 1.6117482510990755 Energy: 1.7593452873619357 Energy: 1.7128465271968625 Energy: 1.620433918829834 Energy: 1.611748251102454 Energy: 1.7593452873619357 Energy: 1.613330208704064 Energy: 1.6217874412640083 Energy: 1.7342397935676552 Energy: 1.6214027819439547 Energy: 1.613330208704064 Energy: 1.6217874412640083 Energy: 1.7342397935710336 Energy: 1.625576242308678 Energy: 1.6845923361032018 Energy: 1.9043089469699856 Energy: 1.7311132871555952 Energy: 1.625576242308678 Energy: 1.6845923360998234 Energy: 1.904308946973364 Energy: 1.666476985636406 Energy: 1.7013497641589252 Energy: 1.7433408060177127 Energy: 1.696651787020387 Energy: 1.666476985639784 Energy: 1.7013497641690603 Energy: 1.743340806010956 Energy: 1.7633162062279553 Energy: 1.68059102868786 Energy: 1.9045732567525075 Energy: 1.7413660644605728 Energy: 1.7633162062279553 Energy: 1.68059102868786 Energy: 1.9045732567558857 Energy: 1.666282437015779 Energy: 1.6821117124012888 Energy: 1.8509564726238907 Energy: 1.7761488868479776 Energy: 1.6662824370124005 Energy: 1.6821117123945322 Energy: 1.8509564726272691 Energy: 1.6622154802063602 Energy: 1.6802129891288864 Energy: 1.814263056456004 Energy: 1.7455086361356025 Energy: 1.6622154802063602 Energy: 1.6802129891322648 Energy: 1.8142630564459303 Energy: 1.7140950067221525 Energy: 1.7051370896005942 Energy: 1.8777386255790085 Energy: 1.601505811153306 Energy: 1.7140950067221525 Energy: 1.7051370895972158 Energy: 1.8777386255790085 Energy: 1.5990969775217903 Energy: 1.6815752753528244 Energy: 1.8145673273632699 Energy: 1.7342835801489718 Energy: 1.5990969775284853 Energy: 1.681575275349446 Energy: 1.8145673273734049 minimum gb energy = 1.5925576453979906 eV minimum distance = 2.19909184415098 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.726836527125436 Energy: 1.3400406382816994 Energy: 1.7509342725395938 Energy: 1.3400406382824266 Energy: 1.7268365271261978 Energy: 1.3400406382824266 Energy: 1.685868567880814 Energy: 1.7268365271239128 Energy: 1.3400406382831882 Energy: 1.436913192399663 Energy: 1.3400406382809378 Energy: 1.7268365271261978 Energy: 1.3400406382801762 Energy: 1.3127286261348214 Energy: 1.726836527125436 Energy: 1.3400406382801762 Energy: 1.7990170768510494 Energy: 1.340040638277891 Energy: 1.726836527125436 Energy: 1.3400406382801762 Energy: 1.3127287409195134 Energy: 1.7268365271261978 Energy: 1.3400406382816994 Energy: 1.6484940500138643 Energy: 1.3400406382824266 Energy: 1.7268365271261978 Energy: 1.3400406382831882 Energy: 1.7516641990306967 Energy: 1.7268365271246742 Energy: 1.3400406382824266 Energy: 1.375409361336525 Energy: 1.3400406382809378 Energy: 1.726836527125436 Energy: 1.3400406382794143 Energy: 1.499304931394235 Energy: 1.726836527125436 Energy: 1.3400406382801762 Energy: 1.3795199345936158 Energy: 1.3400406382801762 Energy: 1.7268365271261978 Energy: 1.3400406382794143 Energy: 1.401413121074155 Energy: 1.726836527125436 Energy: 1.3400406382816994 Energy: 1.7516641988365689 Energy: 1.3400406382824266 Energy: 1.7268365271261978 Energy: 1.3400406382824266 Energy: 1.6853845270140482 Energy: 1.7268365271246742 Energy: 1.3400406382824266 Energy: 1.3127278843640378 Energy: 1.3400406382809378 Energy: 1.7268365271261978 Energy: 1.3400406382794143 Energy: 1.3127278685263548 Energy: 1.726836527125436 Energy: 1.3400406382794143 Energy: 1.3174961861198815 Energy: 1.3400406382801762 Energy: 1.726836527125436 Energy: 1.3400406382801762 Energy: 1.3127276934942365 Energy: 1.7268365271261978 Energy: 1.3400406382816994 Energy: 1.6858685661860502 Energy: 1.34004063828395 Energy: 1.726836527125436 Energy: 1.3400406382831882 Energy: 1.6858685661213064 Energy: 1.7268365271246742 Energy: 1.34004063828395 Energy: 1.3795621524481951 Energy: 1.3400406382809378 Energy: 1.726836527125436 Energy: 1.3400406382786525 Energy: 1.3127275602413588 Energy: 1.726836527125436 Energy: 1.3400406382801762 Energy: 1.3174971869290022 Energy: 1.3400406382801762 Energy: 1.7268365271261978 Energy: 1.3400406382794143 Energy: 1.3174985400438455 Energy: 1.726836527125436 Energy: 1.3400406382809378 Energy: 1.3174994345436868 Energy: 1.3400406382831882 Energy: 1.7268365271261978 Energy: 1.34004063828395 Energy: 1.3175003856699066 Energy: 1.7268365271246742 Energy: 1.3400406382816994 Energy: 1.3174964125494688 Energy: 1.3400406382809378 Energy: 1.7268365271261978 Energy: 1.3400406382801762 Energy: 1.3175012156663348 Energy: 1.726836527125436 Energy: 1.3400406382794143 Energy: 1.317505797660285 Energy: 1.3400406382794143 Energy: 1.726836527125436 Energy: 1.3400406382809378 Energy: 1.317495226317231 Energy: 1.726836527125436 Energy: 1.3400406382824266 Energy: 1.317499165563542 Energy: 1.3400406382831882 Energy: 1.726836527125436 Energy: 1.3400406382831882 Energy: 1.317482146484025 Energy: 1.7268365271246742 Energy: 1.3400406382831882 Energy: 1.317498552825448 Energy: 1.3400406382809378 Energy: 1.726836527125436 Energy: 1.3400406382801762 Energy: 1.317493644955439 Energy: 1.726836527125436 Energy: 1.3400406382809378 Energy: 1.3175001322967905 Energy: 1.3400406382794143 Energy: 1.7268365271261978 Energy: 1.3400406382824266 Energy: 1.3175034798351075 Energy: 1.726836527125436 Energy: 1.3400406382824266 Energy: 1.317502285884302 Energy: 1.3400406382816994 Energy: 1.7268365271261978 Energy: 1.3400406382831882 Energy: 1.3174931842299629 Energy: 1.7268365271246742 Energy: 1.3400406382831882 Energy: 1.3174984956675817 Energy: 1.3400406382816994 Energy: 1.7268365271261978 Energy: 1.3400406382801762 Energy: 1.3175008219483335 minimum gb energy = 1.3127275602413588 eV minimum distance = 2.37460877007924 Angstroms sigma value = 23