Number of particles = 7560 # (required) this must be the first line A = 1.0 Angstrom (basic length-scale) # (optional) basic length-scale: default A = 1.0 [Angstrom] H0(1,1) = 139.6820856456285 A H0(1,2) = 0 A H0(1,3) = 0 A # (required) this is the supercell's 1st edge, in A H0(2,1) = 3.744213862137776e-15 A H0(2,2) = 141.1002142432915 A H0(2,3) = 0 A # (required) this is the supercell's 2nd edge, in A H0(3,1) = 2.038091877798461e-16 A H0(3,2) = 2.038091877798461e-16 A H0(3,3) = 7.680522833187809 A # (required) this is the supercell's 3rd edge, in A Transform(1,1) = 1 Transform(1,2) = 0 Transform(1,3) = 0 Transform(2,1) = 0 Transform(2,2) = 1 Transform(2,3) = 0 Transform(3,1) = 0 Transform(3,2) = 0 Transform(3,3) = 1 # (optional) apply additional transformation on H0: H = H0 * Transform; # default = Identity matrix. eta(1,1) = 0 eta(1,2) = 0 eta(1,3) = 0 eta(2,2) = 0 eta(2,3) = 0 eta(3,3) = 0 # (optional) apply additional Lagrangian strain on H0: # H = H0 * sqrt(Identity_matrix + 2 * eta); # default = zero matrix. # ENSUING ARE THE ATOMS, EACH ATOM DESCRIBED BY A ROW # 1st entry is atomic mass in a.m.u. # 2nd entry is the chemical symbol (max 2 chars) # 3rd entry is reduced coordinate s1 (dimensionless) # 4th entry is reduced coordinate s2 (dimensionless) # 5th entry is reduced coordinate s3 (dimensionless) # real coordinates x = s * H, x, s are 1x3 row vectors # 6th entry is d(s1)/dt in basic rate-scale R # 7th entry is d(s2)/dt in basic rate-scale R # 8th entry is d(s3)/dt in basic rate-scale R R = 1.0 [ns^-1] # (optional) basic rate-scale: default R = 1.0 [ns^-1] 28.0855 Si 0.003963926208289652 0.002775732942847426 0.1246754407227325 0 0 0 28.0855 Si 0.02777241388425775 0.00276752608362151 0.3754305043749301 0 0 0 28.0855 Si 0.003955283986211054 0.01944236672277863 0.1266059417838603 0 0 0 28.0855 Si 0.02776378895335348 0.01943413999798209 0.3773855222328277 0 0 0 28.0855 Si 0.01189177634476221 0.02499584126638186 0.3768803691518637 0 0 0 28.0855 Si 0.03570028611031874 0.02498761678346512 0.1276655980953222 0 0 0 28.0855 Si 0.01188319511524376 0.04166246711712697 0.3787883388790512 0 0 0 28.0855 Si 0.03569172689796121 0.04165420684219646 0.1296133174407756 0 0 0 28.0855 Si 0.01981971883265072 0.04721589410914513 0.1290633897505064 0 0 0 28.0855 Si 0.04362825992224149 0.04720762428816876 0.3798976879158713 0 0 0 28.0855 Si 0.0198112316403839 0.06388250750336411 0.1309321535606931 0 0 0 28.0855 Si 0.04361979858551743 0.06387418493233832 0.38182242806882 0 0 0 28.0855 Si 0.003963925922037214 0.002775732704144513 0.6246754729204901 0 0 0 28.0855 Si 0.02777241405503989 0.002767526503259134 0.8754304995432549 0 0 0 28.0855 Si 0.003955284047191296 0.01944236659113737 0.6266059621467308 0 0 0 28.0855 Si 0.02776378961920438 0.01943414050671913 0.8773855204691928 0 0 0 28.0855 Si 0.01189177696045996 0.02499584166950174 0.8768803698748093 0 0 0 28.0855 Si 0.03570028618509211 0.02498761662571222 0.6276655803135556 0 0 0 28.0855 Si 0.01188319445037148 0.04166246717940481 0.8787883478804529 0 0 0 28.0855 Si 0.03569172649532595 0.04165420656854546 0.6296133115814361 0 0 0 28.0855 Si 0.01981971845455561 0.0472158938080503 0.6290634024521718 0 0 0 28.0855 Si 0.04362825968173248 0.04720762446996408 0.8798976759140775 0 0 0 28.0855 Si 0.01981123151923705 0.06388250718997479 0.6309321741228083 0 0 0 28.0855 Si 0.0436197995506195 0.06387418536796115 0.8818224196632228 0 0 0 28.0855 Si 0.003939251638386813 0.06944430189182317 0.1303770888006141 0 0 0 28.0855 Si 0.02774780086172564 0.06943586326067018 0.3812081568848693 0 0 0 28.0855 Si 0.00393088267972581 0.08611095482726935 0.1321408107753856 0 0 0 28.0855 Si 0.02773945152253728 0.08610245978125206 0.3830218577883169 0 0 0 28.0855 Si 0.01186749037228365 0.09166427388671404 0.3824017982720423 0 0 0 28.0855 Si 0.0356760799538992 0.09165572567574855 0.1332990632582803 0 0 0 28.0855 Si 0.01185931097098389 0.1083309193981767 0.3840784807748339 0 0 0 28.0855 Si 0.03566792128090254 0.1083223015784911 0.1350404765936684 0 0 0 28.0855 Si 0.01979598855302542 0.1138841390223861 0.13433682066369 0 0 0 28.0855 Si 0.04360461722900009 0.1138754626080545 0.3853190782749146 0 0 0 28.0855 Si 0.01978806794622504 0.1305507742467304 0.1359061861920856 0 0 0 28.0855 Si 0.04359671556553418 0.1305420155554334 0.38696882247608 0 0 0 28.0855 Si 0.00393925186816402 0.06944430204426666 0.6303770809265368 0 0 0 28.0855 Si 0.02774780169753787 0.06943586361498531 0.8812081485504196 0 0 0 28.0855 Si 0.003930882618275014 0.08611095488289849 0.6321407825409956 0 0 0 28.0855 Si 0.02773945097438103 0.0861024599358283 0.8830218543088119 0 0 0 28.0855 Si 0.01186748945395145 0.0916642735348466 0.8824017956779286 0 0 0 28.0855 Si 0.03567607990956282 0.0916557256861819 0.6332990713638784 0 0 0 28.0855 Si 0.01185931164966478 0.108330919366899 0.8840784751696475 0 0 0 28.0855 Si 0.03566792112687638 0.108322301452245 0.6350404789423273 0 0 0 28.0855 Si 0.0197959886269861 0.1138841390630993 0.6343368059759021 0 0 0 28.0855 Si 0.04360461741626036 0.1138754626995436 0.8853190702275511 0 0 0 28.0855 Si 0.01978806787642186 0.130550774179839 0.6359061664349452 0 0 0 28.0855 Si 0.04359671540016771 0.1305420156530094 0.8869688147455106 0 0 0 28.0855 Si 0.003916158885005394 0.136112720918824 0.1352334157150428 0 0 0 28.0855 Si 0.0277248262701118 0.1361038814261292 0.386161681837949 0 0 0 28.0855 Si 0.003908547836543164 0.1527794220108346 0.1366070752468392 0 0 0 28.0855 Si 0.02771724283138153 0.152770502898287 0.3876036968740239 0 0 0 28.0855 Si 0.01184538325709454 0.1583324917626461 0.3868323032588414 0 0 0 28.0855 Si 0.03565408895499872 0.1583234901233237 0.1378560608173838 0 0 0 28.0855 Si 0.01183821021361771 0.1749991843101803 0.3880439920188076 0 0 0 28.0855 Si 0.03564694445466386 0.1749900964700316 0.1391477678970673 0 0 0 28.0855 Si 0.01977515358412476 0.1805521285493204 0.1382610439914834 0 0 0 28.0855 Si 0.04358388108177402 0.1805429652418825 0.3893962536948956 0 0 0 28.0855 Si 0.01976853983183223 0.19721880984088 0.1392862081684169 0 0 0 28.0855 Si 0.04357728743875245 0.1972095557094914 0.3905120211019578 0 0 0 28.0855 Si 0.003916159028167483 0.1361127210909038 0.6352334043858355 0 0 0 28.0855 Si 0.02772482575323676 0.136103881125919 0.8861616761996748 0 0 0 28.0855 Si 0.003908547452270828 0.1527794220111795 0.6366070889618859 0 0 0 28.0855 Si 0.02771724327618742 0.1527705028665786 0.8876036856387167 0 0 0 28.0855 Si 0.01184538383930123 0.1583324920349132 0.8868322932030307 0 0 0 28.0855 Si 0.03565408924937392 0.1583234902979022 0.6378560501478474 0 0 0 28.0855 Si 0.0118382102768218 0.1749991845919693 0.888043991986968 0 0 0 28.0855 Si 0.03564694433880509 0.1749900964871654 0.6391477501523067 0 0 0 28.0855 Si 0.01977515348845157 0.1805521285211236 0.6382610358852547 0 0 0 28.0855 Si 0.04358388053381902 0.1805429650542001 0.8893962489867114 0 0 0 28.0855 Si 0.01976853961868294 0.1972188097292915 0.6392862149583886 0 0 0 28.0855 Si 0.0435772879591163 0.1972095557812589 0.8905120079825399 0 0 0 28.0855 Si 0.003896743316346913 0.2027808848530971 0.1384906315933175 0 0 0 28.0855 Si 0.02770559281077288 0.2027716348515055 0.3894939629829857 0 0 0 28.0855 Si 0.003890760790412355 0.2194476335906593 0.1392344061220096 0 0 0 28.0855 Si 0.02769968234885033 0.2194383033536763 0.3903064264414047 0 0 0 28.0855 Si 0.01182798335922122 0.2250004097056945 0.3893945898937495 0 0 0 28.0855 Si 0.03563684060633845 0.2249910293836968 0.1405033193086197 0 0 0 28.0855 Si 0.01182288499392683 0.2416671416736746 0.3898944007797818 0 0 0 28.0855 Si 0.03563181136333608 0.2416576862569991 0.1410745656691644 0 0 0 28.0855 Si 0.01976024465723333 0.24721982082348 0.1400381055780643 0 0 0 28.0855 Si 0.04356906050285365 0.2472103460206122 0.3912580238579541 0 0 0 28.0855 Si 0.0197562479841265 0.2638865346828721 0.1402674917289125 0 0 0 28.0855 Si 0.04356512129497323 0.2638769922911655 0.3915557768955315 0 0 0 28.0855 Si 0.003896743380528417 0.2027808850476537 0.6384906287503588 0 0 0 28.0855 Si 0.02770559320715226 0.2027716349387603 0.8894939544908586 0 0 0 28.0855 Si 0.003890760788495769 0.2194476337495419 0.6392343857613056 0 0 0 28.0855 Si 0.0276996820587897 0.2194383034527814 0.8903064270879743 0 0 0 28.0855 Si 0.01182798275884483 0.2250004094910804 0.8893945918827668 0 0 0 28.0855 Si 0.03563684048842143 0.2249910293901134 0.6405033208131804 0 0 0 28.0855 Si 0.01182288550685563 0.2416671417216027 0.8898943980126783 0 0 0 28.0855 Si 0.03563181127178419 0.2416576862080178 0.6410745550460221 0 0 0 28.0855 Si 0.01976024466673861 0.2472198208235561 0.6400380902747006 0 0 0 28.0855 Si 0.04356906024793281 0.2472103459002853 0.8912580202340553 0 0 0 28.0855 Si 0.01975624772758481 0.2638865346144245 0.6402674844930828 0 0 0 28.0855 Si 0.04356512136975293 0.2638769922978384 0.8915557733249084 0 0 0 28.0855 Si 0.003884617699716147 0.2694485509063463 0.1394068525175563 0 0 0 28.0855 Si 0.0276937338730942 0.2694391588799112 0.3903918920092159 0 0 0 28.0855 Si 0.003881795718355025 0.2861152935661053 0.1393007849402033 0 0 0 28.0855 Si 0.02769109137403785 0.2861058535464022 0.3903231989730454 0 0 0 28.0855 Si 0.01181962681724222 0.2916678318669458 0.3893625309461257 0 0 0 28.0855 Si 0.03562868611665277 0.2916584792211143 0.1404251593723076 0 0 0 28.0855 Si 0.01181843874943529 0.3083345385766921 0.3889455993903733 0 0 0 28.0855 Si 0.03562768581637467 0.3083251568365939 0.1400342428625529 0 0 0 28.0855 Si 0.01975643503319836 0.313887083110365 0.1389808323027749 0 0 0 28.0855 Si 0.04356536504809016 0.3138778553961218 0.3901099212908867 0 0 0 28.0855 Si 0.01975719127092444 0.3305537528595096 0.1382392814741798 0 0 0 28.0855 Si 0.04356632469194498 0.330544516905752 0.3893725234877026 0 0 0 28.0855 Si 0.003884617472789172 0.2694485508946012 0.6394068533743943 0 0 0 28.0855 Si 0.02769373378347244 0.2694391587333177 0.890391885805343 0 0 0 28.0855 Si 0.003881795813606113 0.2861152935780978 0.6393007839162663 0 0 0 28.0855 Si 0.02769109158147852 0.2861058535478618 0.8903231942413118 0 0 0 28.0855 Si 0.01181962689432971 0.2916678318639819 0.8893625327778686 0 0 0 28.0855 Si 0.03562868624485115 0.2916584793756012 0.6404251521019486 0 0 0 28.0855 Si 0.01181843875120699 0.3083345386305914 0.8889456003413585 0 0 0 28.0855 Si 0.03562768581311944 0.3083251569584687 0.6400342425083635 0 0 0 28.0855 Si 0.01975643499951672 0.3138870830632532 0.6389808296208445 0 0 0 28.0855 Si 0.04356536512508596 0.3138778554109589 0.8901099218818732 0 0 0 28.0855 Si 0.01975719127237613 0.3305537527968029 0.6382392712360806 0 0 0 28.0855 Si 0.04356632473157545 0.3305445169921109 0.8893725313674241 0 0 0 28.0855 Si 0.003885758130195524 0.3361152470557375 0.1374492308724428 0 0 0 28.0855 Si 0.02769533529298054 0.3361063769307845 0.3882449648379238 0 0 0 28.0855 Si 0.00388839393648285 0.3527818645482169 0.1363917508895881 0 0 0 28.0855 Si 0.02769835586982303 0.3527730092419077 0.3871679227880956 0 0 0 28.0855 Si 0.0118271453506264 0.3583343127119364 0.3863313047722648 0 0 0 28.0855 Si 0.03563663733389871 0.3583257786041343 0.1371406000667267 0 0 0 28.0855 Si 0.01183229312171376 0.3750008707590736 0.3849629259334083 0 0 0 28.0855 Si 0.03564221526285743 0.37499237366341 0.1357269625298051 0 0 0 28.0855 Si 0.01977124527492846 0.3805534514574589 0.1348710688495979 0 0 0 28.0855 Si 0.04358064717758226 0.3805453353970057 0.3856632050413122 0 0 0 28.0855 Si 0.01977907552536037 0.3972199502027383 0.1332079817941473 0 0 0 28.0855 Si 0.04358899537734299 0.3972118851966232 0.3839208695976817 0 0 0 28.0855 Si 0.003885758241806601 0.3361152472888388 0.6374492248867912 0 0 0 28.0855 Si 0.02769533509151373 0.3361063767337346 0.8882449632403521 0 0 0 28.0855 Si 0.003888393896068044 0.3527818647863061 0.6363917580757585 0 0 0 28.0855 Si 0.02769835614723578 0.3527730091586276 0.8871679132702838 0 0 0 28.0855 Si 0.01182714567308133 0.3583343127579456 0.8863313077236559 0 0 0 28.0855 Si 0.03563663758377758 0.3583257788535841 0.6371405945643468 0 0 0 28.0855 Si 0.01183229301821984 0.3750008707723438 0.8849629404410787 0 0 0 28.0855 Si 0.03564221509654288 0.3749923738625131 0.6357269631353067 0 0 0 28.0855 Si 0.01977124484099181 0.3805534512046059 0.6348710709081613 0 0 0 28.0855 Si 0.04358064727604971 0.3805453353034866 0.8856632055698251 0 0 0 28.0855 Si 0.01977907566802905 0.397219950061754 0.6332079791761895 0 0 0 28.0855 Si 0.04358899526122243 0.3972118850979585 0.8839208754254249 0 0 0 28.0855 Si 0.003907769728305077 0.4027802637088901 0.1326340987538414 0 0 0 28.0855 Si 0.02771823965647116 0.4027726876621617 0.3830836378600051 0 0 0 28.0855 Si 0.003917709451235785 0.419446644159621 0.1307699696499932 0 0 0 28.0855 Si 0.02772876387081356 0.4194391244261481 0.3811518948641687 0 0 0 28.0855 Si 0.01185761207481642 0.4249990996309526 0.3805978848688338 0 0 0 28.0855 Si 0.03566819977361406 0.4249919743365023 0.130994547908082 0 0 0 28.0855 Si 0.01186994939482012 0.4416654177328717 0.378531609319364 0 0 0 28.0855 Si 0.03568119965421632 0.4416583404605656 0.1288358739018449 0 0 0 28.0855 Si 0.01981009068750944 0.447217952022391 0.1283363745569549 0 0 0 28.0855 Si 0.04362102776529252 0.4472111723003926 0.3786462058950319 0 0 0 28.0855 Si 0.01982426817754819 0.4638842082974098 0.1261216088137515 0 0 0 28.0855 Si 0.04363595972262898 0.4638774525635743 0.3763139253742112 0 0 0 28.0855 Si 0.003907770013605807 0.4027802638581277 0.6326340959492408 0 0 0 28.0855 Si 0.02771823955762597 0.4027726876273067 0.8830836399939985 0 0 0 28.0855 Si 0.003917709436729953 0.4194466442920893 0.6307699737812825 0 0 0 28.0855 Si 0.02772876400517793 0.4194391244192536 0.88115189726432 0 0 0 28.0855 Si 0.01185761222438647 0.4249990996356438 0.8805978866572888 0 0 0 28.0855 Si 0.03566819962926878 0.4249919743408288 0.6309945452217867 0 0 0 28.0855 Si 0.01186994917885078 0.4416654176842937 0.8785316100002614 0 0 0 28.0855 Si 0.03568119972300132 0.4416583405198958 0.6288358776927992 0 0 0 28.0855 Si 0.01981009069085141 0.4472179519934355 0.6283363802187503 0 0 0 28.0855 Si 0.04362102792035821 0.4472111723469722 0.8786462093330151 0 0 0 28.0855 Si 0.01982426804405517 0.4638842082635773 0.6261216073438992 0 0 0 28.0855 Si 0.04363595966731103 0.4638774525868384 0.8763139269884161 0 0 0 28.0855 Si 0.003952810526795245 0.4694432413626366 0.1257937608964409 0 0 0 28.0855 Si 0.02776471981221952 0.4694366831087233 0.3759062271313255 0 0 0 28.0855 Si 0.003967549649392837 0.4861094338995372 0.1235567671949944 0 0 0 28.0855 Si 0.02777986185424311 0.4861028785445038 0.3736050899773273 0 0 0 28.0855 Si 0.0119082790253355 0.4916617187308266 0.3733324593835977 0 0 0 28.0855 Si 0.03572069941987159 0.4916551162300226 0.1233734530812689 0 0 0 28.0855 Si 0.01192296702862925 0.5083278927434858 0.3710896688303484 0 0 0 28.0855 Si 0.03573568315110202 0.5083212575942898 0.1210549563868116 0 0 0 28.0855 Si 0.01986383296522412 0.5138800032449223 0.1208632053451034 0 0 0 28.0855 Si 0.04367692005727709 0.5138731081023903 0.3708121158499694 0 0 0 28.0855 Si 0.01987739139670737 0.5305461767373528 0.1186818006269129 0 0 0 28.0855 Si 0.04369055868739786 0.5305392207068541 0.3685484879311507 0 0 0 28.0855 Si 0.003952810260946045 0.4694432411028635 0.6257937542958086 0 0 0 28.0855 Si 0.02776471973885275 0.4694366831742335 0.8759062256192262 0 0 0 28.0855 Si 0.003967549681819849 0.486109433673564 0.6235567668890863 0 0 0 28.0855 Si 0.02777986193463046 0.4861028786466047 0.8736050925751822 0 0 0 28.0855 Si 0.01190827903906172 0.4916617187192079 0.8733324571801563 0 0 0 28.0855 Si 0.03572069936503318 0.4916551161090539 0.6233734493234102 0 0 0 28.0855 Si 0.01192296688160632 0.5083278927484942 0.8710896632100367 0 0 0 28.0855 Si 0.03573568313826059 0.5083212574652948 0.6210549538557861 0 0 0 28.0855 Si 0.01986383310794945 0.5138800033817607 0.6208632064376063 0 0 0 28.0855 Si 0.04367692001406109 0.513873108037641 0.8708121128316126 0 0 0 28.0855 Si 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0.7083291914595341 0.6074407569283423 0 0 0 28.0855 Si 0.9723072258344087 0.7138912208086059 0.6065812443822306 0 0 0 28.0855 Si 0.9961164921707598 0.713881797122065 0.8575262400806987 0 0 0 28.0855 Si 0.9723032332606887 0.7305579391253944 0.6068104633419322 0 0 0 28.0855 Si 0.9961123323801332 0.7305485769742334 0.8577112916504888 0 0 0 28.0855 Si 0.9564316742854724 0.7361200875525935 0.1057745211910035 0 0 0 28.0855 Si 0.9802405854624288 0.7361106286359654 0.3569540313874074 0 0 0 28.0855 Si 0.9564266442457462 0.7527867482635071 0.1063457551722486 0 0 0 28.0855 Si 0.9802354908021865 0.7527773660532396 0.3574540712164099 0 0 0 28.0855 Si 0.9643637963849636 0.7583394814584227 0.3565425822899233 0 0 0 28.0855 Si 0.9881727081559636 0.7583301524673272 0.1076142275942279 0 0 0 28.0855 Si 0.9643578874695587 0.7750061535705488 0.3573555908257195 0 0 0 28.0855 Si 0.9881667312834133 0.774996906175115 0.1083582557570223 0 0 0 28.0855 Si 0.9722949376084209 0.7805589867530726 0.1075633431518069 0 0 0 28.0855 Si 0.9961038107315606 0.7805498143342829 0.358533119299952 0 0 0 28.0855 Si 0.9722883265436127 0.7972256721609122 0.1085887134304663 0 0 0 28.0855 Si 0.9960971348683869 0.7972165800929554 0.3594976125915341 0 0 0 28.0855 Si 0.9564316736474794 0.7361200871916629 0.6057745175209086 0 0 0 28.0855 Si 0.9802405857699457 0.7361106286527098 0.8569540269484207 0 0 0 28.0855 Si 0.95642664393944 0.7527867478902119 0.6063457590171901 0 0 0 28.0855 Si 0.980235491196655 0.7527773662278798 0.8574540826394709 0 0 0 28.0855 Si 0.9643637966646955 0.7583394817655712 0.8565425751664452 0 0 0 28.0855 Si 0.988172707612881 0.7583301520402929 0.6076142160270047 0 0 0 28.0855 Si 0.964357887771264 0.7750061540696923 0.8573555886267935 0 0 0 28.0855 Si 0.9881667308277784 0.7749969056123633 0.60835824986092 0 0 0 28.0855 Si 0.9722949375104254 0.7805589864877642 0.6075633267633204 0 0 0 28.0855 Si 0.9961038105948333 0.7805498144329283 0.8585331011769574 0 0 0 28.0855 Si 0.9722883263364454 0.797225671655753 0.6085886935025758 0 0 0 28.0855 Si 0.9960971349680113 0.7972165804326024 0.8594976008189164 0 0 0 28.0855 Si 0.9564165342956105 0.8027877055841838 0.1077029318575713 0 0 0 28.0855 Si 0.9802252701752051 0.8027786222563302 0.3588058148593045 0 0 0 28.0855 Si 0.9564093893850935 0.8194543147452091 0.1089953639548941 0 0 0 28.0855 Si 0.9802181005388839 0.8194453179637055 0.3600188022100886 0 0 0 28.0855 Si 0.964346237589956 0.8250073052882884 0.3592478049560716 0 0 0 28.0855 Si 0.9881549398083304 0.8249983916695993 0.1102442051735529 0 0 0 28.0855 Si 0.9643386630848303 0.8416739293368034 0.360691433718631 0 0 0 28.0855 Si 0.9881473383724709 0.8416650954417689 0.111620100570377 0 0 0 28.0855 Si 0.9722754247456578 0.8472270380916888 0.1109471746652437 0 0 0 28.0855 Si 0.9960840813133662 0.8472182906369629 0.3618529042405314 0 0 0 28.0855 Si 0.972267516557055 0.8638936757538703 0.1125183727567044 0 0 0 28.0855 Si 0.9960761476910771 0.8638849983355311 0.3633693013613147 0 0 0 28.0855 Si 0.9564165346204703 0.8027877055646601 0.6077029108601733 0 0 0 28.0855 Si 0.9802252697222378 0.8027786219955322 0.8588057973494605 0 0 0 28.0855 Si 0.9564093891238402 0.8194543143595037 0.6089953396108202 0 0 0 28.0855 Si 0.9802181005087267 0.819445317991825 0.8600187793176636 0 0 0 28.0855 Si 0.9643462370305431 0.8250073048781938 0.859247782323501 0 0 0 28.0855 Si 0.9881549403314047 0.8249983919567697 0.6102441949862456 0 0 0 28.0855 Si 0.9643386631259382 0.8416739292707962 0.8606914078417279 0 0 0 28.0855 Si 0.9881473382769487 0.8416650953588702 0.611620088852498 0 0 0 28.0855 Si 0.9722754252490055 0.8472270386596337 0.6109471644053075 0 0 0 28.0855 Si 0.9960840811422934 0.8472182902733395 0.8618528898132265 0 0 0 28.0855 Si 0.9722675163678437 0.8638936760221642 0.6125183491422513 0 0 0 28.0855 Si 0.9960761473374048 0.8638849980759978 0.8633692743959089 0 0 0 28.0855 Si 0.9563955834952079 0.869455516713466 0.1118141570540987 0 0 0 28.0855 Si 0.9802041992289552 0.8694468984255698 0.3627769800410162 0 0 0 28.0855 Si 0.9563874398203567 0.8861220950224278 0.1135567965916837 0 0 0 28.0855 Si 0.9801960346992968 0.8861135462275767 0.3644554110399021 0 0 0 28.0855 Si 0.9643240723294517 0.8916753623605056 0.3638343036888259 0 0 0 28.0855 Si 0.9881326466063812 0.8916668669825236 0.1147167443932753 0 0 0 28.0855 Si 0.96431573580543 0.9083419609882384 0.3656503086728516 0 0 0 28.0855 Si 0.988124290927469 0.9083335214159105 0.1164828765273788 0 0 0 28.0855 Si 0.9722523096473076 0.9138953159016014 0.1159267052804305 0 0 0 28.0855 Si 0.9960608447536466 0.913886925833596 0.3667468563505674 0 0 0 28.0855 Si 0.9722438285098423 0.9305619309525199 0.1177974948672997 0 0 0 28.0855 Si 0.9960523510150766 0.9305535826356518 0.3685824248009857 0 0 0 28.0855 Si 0.9563955837183773 0.8694555173739286 0.6118141510809715 0 0 0 28.0855 Si 0.9802041985650114 0.869446897786106 0.8627769705805345 0 0 0 28.0855 Si 0.9563874398960382 0.8861220955471045 0.6135567941388558 0 0 0 28.0855 Si 0.9801960346373776 0.8861135457386529 0.8644554051088919 0 0 0 28.0855 Si 0.9643240723239557 0.8916753620707772 0.8638343100070596 0 0 0 28.0855 Si 0.9881326466636522 0.891666867377779 0.6147167478054193 0 0 0 28.0855 Si 0.9643157355826709 0.9083419606733746 0.8656503099611457 0 0 0 28.0855 Si 0.9881242910075165 0.9083335218074444 0.6164828831419239 0 0 0 28.0855 Si 0.9722523096305223 0.9138953161070676 0.6159267144754892 0 0 0 28.0855 Si 0.9960608449452449 0.9138869258332307 0.8667468630229617 0 0 0 28.0855 Si 0.9722438288998757 0.9305619312757188 0.617797495557078 0 0 0 28.0855 Si 0.9960523511048183 0.9305535825029538 0.8685824385090863 0 0 0 28.0855 Si 0.9563718236972041 0.9361236307330758 0.1172455290680705 0 0 0 28.0855 Si 0.9801803566006133 0.936115358251536 0.3680728861191117 0 0 0 28.0855 Si 0.9563632696923732 0.9527902215894931 0.1191949890986401 0 0 0 28.0855 Si 0.9801717775364041 0.952781985884243 0.3699819896785464 0 0 0 28.0855 Si 0.9642997680769274 0.9583436970910155 0.3694754631985093 0 0 0 28.0855 Si 0.9881082711759755 0.9583354610872701 0.1202566648683896 0 0 0 28.0855 Si 0.9642911470107298 0.9750103116875632 0.3714321548688407 0 0 0 28.0855 Si 0.9880996330590717 0.9750020964606446 0.122188727643844 0 0 0 28.0855 Si 0.9722276235492505 0.9805638224285551 0.1217086605199562 0 0 0 28.0855 Si 0.9960361105244567 0.9805555957418536 0.3724629786755796 0 0 0 28.0855 Si 0.9722189740679991 0.9972304552166998 0.1236573953723326 0 0 0 28.0855 Si 0.9960274503609823 0.9972222327686914 0.3744013462061286 0 0 0 28.0855 Si 0.9563718237765599 0.9361236306941422 0.6172455401524209 0 0 0 28.0855 Si 0.9801803566316497 0.9361153579135829 0.8680729011585068 0 0 0 28.0855 Si 0.9563632694903467 0.9527902215936862 0.6191950049248288 0 0 0 28.0855 Si 0.9801717769286665 0.9527819853444267 0.8699819908713504 0 0 0 28.0855 Si 0.9642997682419944 0.9583436976730237 0.8694754617707799 0 0 0 28.0855 Si 0.9881082712978982 0.9583354610547112 0.6202566912488801 0 0 0 28.0855 Si 0.9642911474582839 0.9750103122259809 0.8714321662170442 0 0 0 28.0855 Si 0.9880996330697248 0.9750020965337112 0.6221887362918839 0 0 0 28.0855 Si 0.9722276232827143 0.9805638222021333 0.6217086465721586 0 0 0 28.0855 Si 0.9960361107935604 0.9805555956348561 0.8724629832630277 0 0 0 28.0855 Si 0.9722189741430777 0.9972304550796736 0.62365738765615 0 0 0 28.0855 Si 0.9960274493492985 0.9972222322770071 0.8744013562945163 0 0 0 # Analysis of this configuration: # # supercell volume = 151376.7471863443 = 151376.7471863443 A^3 # avg. atomic volume = 20.02337925745296 = 20.02337925745296 A^3 # atomic number density = 0.04994162010030286 = 0.04994162010030286 A^-3 # avg. mass density = 2.329130355372253 g/cm^3 # # 7560 mobile atoms, # average velocity = ( 0 0 0 ), # total kinetic energy = 0 = 0 [eV] # avg. atomic kinetic energy = 0 = 0 [eV] # = 0 [kJ/mol] # MD temperature = 0 = 0 [K]. # # -------------- Species Summary -------------- # Type Mass[amu] Count Abundance Wt. Pct. # Si 28.085 7560 100.00% 100.00% # ---------------------------------------------