[CP2K-user] atomes go far away from box in NVT simulation
mh H
hadiz... at gmail.com
Mon Oct 14 03:35:35 UTC 2019
If we don't set COMVEL_TOL, results become wrong?
On Friday, January 29, 2016 at 5:08:52 PM UTC+8, tao liu wrote:
>
> Hi all,
>
> I am running a NVT MD simulation and use the coordinates and velocities of
> the atoms from CP2K. I am using v2.7 CP2K on ARCHER on MgSiO3 (240
> atoms).
>
> All of the atoms are in and around the simulation box in the initial
> model, but the atoms are moving out of the box along the simulation time,
> and go far away from the box gradually, You can see that the 'z' coordinate
> of the first atom changes from 3.04 (0 ps) to -105 (75 ps). I know it is a
> periodic box, it doesn't mater where the atoms are, but it is a very
> strange looking . Is there any keyword to restrict atoms just moving around
> the simulation box (except to freeze a atom)? Thanks.
>
> Here is my input file
>
> &GLOBAL
>
> PROJECT
> pv-lad
>
> RUN_TYPE
> md
>
> PRINT_LEVEL
> low
>
> &END
> GLOBAL
>
>
> &MOTION
>
>
> &PRINT
>
>
> &STRESS
>
> &END
> STRESS
>
>
> &velocities
>
> &end
> velocities
>
> &END
> PRINT
>
>
> &MD
> ENSEMBLE NVT
> STEPS 10001
> TIMESTEP 1
> TEMPERATURE 4000.0
> &THERMOSTAT
> &NOSE
> LENGTH 3
> YOSHIDA 3
> TIMECON 10.0
> MTS 2
> &END NOSE
> &END
> &END MD
>
> &END MOTION
>
> &FORCE_EVAL
>
> METHOD
> Quickstep
>
> STRESS_TENSOR
> analytical
>
>
> &DFT
>
> BASIS_SET_FILE_NAME
> BASIS_MOLOPT
>
> POTENTIAL_FILE_NAME
> POTENTIAL
>
>
> &MGRID
>
> CUTOFF
> 500
>
> REL_CUTOFF
> 40
>
> &END
> MGRID
>
>
> &PRINT
> &DFT_CONTROL_PARAMETERS
> &END DFT_CONTROL_PARAMETERS
> &END PRINT
>
> &QS
> ls_scf
> EPS_DEFAULT 1.0E-10
> EXTRAPOLATION use_prev_p
> MAP_CONSISTENT
> &END QS
>
> &LS_SCF
> PURIFICATION_METHOD TRS4
> MU 0.15
> MAX_SCF 200
> S_PRECONDITIONER ATOMIC
> &END
>
> &SCF
> &OT ON
> MIXED_PRECISION .TRUE.
> &END OT
> EPS_SCF 1.0E-5
> MAX_SCF 200
> SCF_GUESS atomic
> &OUTER_SCF
> EPS_SCF 1.0E-7
> MAX_SCF 500
> &END
> &END SCF
>
> &XC
> &XC_FUNCTIONAL LDA
> &END XC_FUNCTIONAL
> &END XC
> &END DFT
> &PRINT
> &STRESS_TENSOR
> NDIGITS 4
> &END STRESS_TENSOR
> &END PRINT
> &SUBSYS
> &CELL
> ABC 26.0369999999999990 9.1050000000000004 6.2900000000000000
> MULTIPLE_UNIT_CELL 1 1 1
> SYMMETRY ORTHORHOMBIC
> &END CELL
> &COORD
> Mg -8.5841870397562470E-02 2.4446737869627219E-01
> 4.8382391457694479E-01
>
> Mg 2.6031406086949271E-01 2.6092719343831572E-01
> 4.4217146672191654E-01
>
> Mg 5.8328369689563009E-01 2.7457651320156096E-01
> 5.4373784721259688E-01
>
> Mg -1.6551265244923527E-01 5.0062949446903793E-01
> 4.1425269983661733E-01
>
> Mg 1.7504514944695440E-01 4.8334791029082946E-01
> 5.1221241800498718E-01
>
> Mg 5.0100847251823832E-01 5.1467931925712862E-01
> 5.3871665439449057E-01
>
> Mg 4.9696258783467661E-03 2.8564556687435058E-02
> -5.5635394771647945E-02
>
> Mg 3.3341069514857558E-01 4.3041475940459976E-02
> 7.2042674649568979E-03
>
> Mg 6.6442011772974674E-01 7.8685228117939057E-02
> -1.2914007205212010E-02
>
> Mg -8.8965855464970933E-02 3.0757986909734858E-01
> -1.7341304196210550E-02
>
> Mg 2.6429480997107940E-01 2.9871264106622647E-01
> -1.1588724444114285E-04
>
> Mg 5.9663827162760652E-01 3.2436772679716008E-01
> 1.4053134928836836E-03
>
> Mg 8.3963502182136829E-02 2.2560437235288969E-01
> 4.5755778075376385E-01
>
> Mg 4.1680405569713747E-01 2.5279272185825119E-01
> 5.1166415618287830E-01
>
> Mg 7.5782180365131513E-01 2.5740119746015044E-01
> 5.0321085850400704E-01
>
> Mg 1.0012635472290692E-02 4.9177815625580329E-01
> 5.0542111791271982E-01
>
> Mg 3.4826208963496036E-01 4.9244069485338821E-01
> 5.3543844342620606E-01
>
> Mg 6.7617022771933921E-01 4.9093655765936467E-01
> 4.3813890750518381E-01
>
> Mg -1.7218244414747880E-01 5.5919241943238295E-02
> -3.0553492021523139E-02
>
> Mg 1.7385353536448078E-01 8.1253409311228611E-03
> 5.9398609267433799E-03
>
> Mg 5.0334906666302892E-01 4.1457643446633649E-02
> 3.8409145603852696E-02
>
> Mg 9.0018318897402805E-02 3.0490848749171917E-01
> 2.4777148653723682E-02
>
> Mg 4.2759112826818119E-01 3.3550241386878465E-01
> 2.3574288059742265E-02
>
> Mg 7.6029010663652807E-01 3.1034820319365952E-01
> -7.7023048895912327E-02
>
> Mg -8.1313873877322862E-02 7.7313009491039986E-01
> 4.3461633154845569E-01
>
> Mg 2.4331569943035028E-01 7.3221060103160474E-01
> 5.1839726066449121E-01
>
> Mg 5.9219372315569052E-01 7.2690449382934397E-01
> 4.9708940180974087E-01
>
> Mg -1.5023352778399374E-01 9.9804254663294489E-01
> 4.6895512817445412E-01
>
> Mg 1.7747341524146643E-01 9.8395743227503896E-01
> 5.3463993730437831E-01
>
> Mg 5.0519021038414380E-01 1.0007092110747235E+00
> 5.0046645715607063E-01
>
> Mg -2.2470938063514673E-03 5.5717466274186511E-01
> -2.4260363411724203E-02
>
> Mg 3.3247183757664761E-01 5.7859926774950377E-01
> -1.8963323628777000E-02
>
> Mg 6.6710460915604308E-01 5.4711297978742368E-01
> -1.8744795300869112E-02
>
> Mg -6.9702901123363123E-02 8.1471277075959991E-01
> -1.3694208100214843E-02
>
> Mg 2.5266844568200930E-01 8.1442337341414928E-01
> -3.0440293716887004E-03
>
> Mg 5.9155869762889146E-01 8.0276564100592418E-01
> 2.8292242575817007E-03
>
> Mg 8.5198439961117159E-02 7.2502463201591161E-01
> 4.7741023096073743E-01
>
> Mg 4.2797150764181374E-01 7.3183873081787887E-01
> 5.7055317612785195E-01
>
> Mg 7.4627180458684039E-01 7.6710443821753282E-01
> 4.9709870301145453E-01
>
> Mg -5.8810617600903881E-03 9.9267467333396797E-01
> 4.5006985665657040E-01
>
> Mg 3.4547972080063727E-01 9.7433640024046786E-01
> 5.2063541360370935E-01
>
> Mg 6.7069899018667600E-01 9.8999935891476076E-01
> 4.6416642311786444E-01
>
> Mg 1.6619195913826168E-01 5.6494493718312333E-01
> 1.8350295635919005E-03
>
> Mg 5.1023411830493037E-01 5.5831351058750600E-01
> -3.8267644482570563E-02
>
> Mg 8.3634339585256257E-01 5.5467337454304844E-01
> 7.8009284329952728E-03
>
> Mg 8.4720040699066204E-02 7.7745794948872027E-01
> -2.1561455207449107E-02
>
> Mg 4.3489025913152479E-01 8.3641628928970846E-01
> 1.9941806566879525E-02
>
> Mg 7.5419086823247095E-01 7.7190236576453275E-01
> -2.5980926763719558E-02
>
> Si -1.6728356246780929E-01 2.8232272664060165E-01
> 2.1558479386125443E-01
>
> Si 1.7791388760609078E-01 2.7698111204688136E-01
> 2.7041876731432823E-01
>
> Si 5.1440565600981436E-01 3.1896093411827270E-01
> 2.0620776655304177E-01
>
> Si -7.5382514071711884E-02 4.1774027816088320E-02
> 2.0219155003479139E-01
>
> Si 2.5642494482412936E-01 1.7623959610342122E-02
> 2.4932156137609984E-01
>
> Si 5.8382910456387771E-01 2.9871433525202728E-02
> 2.4972175621105297E-01
>
> Si -7.7283222438805949E-02 1.0036040156320534E+00
> -2.8302178874664957E-01
>
> Si 2.5899578237135035E-01 1.0285787167602245E+00
> -2.7687563656782110E-01
>
> Si 5.9156815965151488E-01 1.0223842301915391E+00
> -2.6162822205629216E-01
>
> Si -1.6517454406786483E-01 2.5635298362814551E-01
> -2.6994044392031807E-01
>
> Si 1.7939776418951683E-01 2.8464306969936548E-01
> -2.5399808353232317E-01
>
> Si 5.0542957339013084E-01 2.7111377918624624E-01
> -2.9980422429052739E-01
>
> Si 2.0323415780992295E-03 2.7779541789661716E-01
> 2.4671233314957591E-01
>
> Si 3.4103948579684734E-01 2.6421176739814001E-01
> 2.5298110434427307E-01
>
> Si 6.8278819590801654E-01 2.7528119667098000E-01
> 2.1297589505608711E-01
>
> Si 8.5455304988850622E-02 1.0201354135682468E+00
> 2.4360345980615253E-01
>
> Si 4.2441886884211777E-01 1.0582001614595029E+00
> 2.4545414981522820E-01
>
> Si 7.6284723598227533E-01 1.0246937028042182E+00
> 2.3573758092393254E-01
>
> Si 9.0434407921566901E-02 1.2080918715200891E-02
> -2.5561808444944212E-01
>
> Si 4.2539570597791759E-01 1.6024835047054074E-02
> -2.4129761989223139E-01
>
> Si 7.5361681011693626E-01 1.7345499591522894E-02
> -2.4183432340715560E-01
>
> Si 4.0214016112855768E-03 2.6733818264111503E-01
> -2.5736571860243879E-01
>
> Si 3.4325827442590690E-01 2.3718624650465039E-01
> -2.5233475548346285E-01
>
> Si 6.7377368672748161E-01 2.6802314483608120E-01
> -2.8770164636283735E-01
>
> Si -1.6438486662668073E-01 7.7925008023812892E-01
> 2.2749162278489696E-01
>
> Si 1.6935052292611530E-01 7.6421962754004247E-01
> 2.5746508918875061E-01
>
> Si 5.1195248976614460E-01 7.7270469269255471E-01
> 2.8921649405910033E-01
>
> Si -8.1292853372605861E-02 5.2258636422540261E-01
> 2.1334993297416041E-01
>
> Si 2.5586956978520836E-01 5.2541193405891462E-01
> 2.3064885447020086E-01
>
> Si 5.9907922064845587E-01 5.2492735678963398E-01
> 2.3917225394417080E-01
>
> Si -8.4039745698287482E-02 5.0821587002063040E-01
> 7.0708706469043636E-01
>
> Si 2.5973751241889526E-01 5.2773505997819559E-01
> 7.5485919505089094E-01
>
> Si 5.9026490822014377E-01 5.2198923213626380E-01
> 7.5916217382059015E-01
>
> Si -1.6161104078241190E-01 7.5795256913335007E-01
> 7.1615013879434641E-01
>
> Si 1.6405159065553662E-01 7.5605166953209457E-01
> 7.6075986266507178E-01
>
> Si 5.1399989926238021E-01 7.8487713286195970E-01
> 7.8081696405594214E-01
>
> Si 3.0782381080409833E-03 7.6679603512525851E-01
> 2.2173378897874271E-01
>
> Si 3.4300414616440517E-01 7.7440867019748816E-01
> 2.5346626259022076E-01
>
> Si 6.6847085118347582E-01 7.9502708574251402E-01
> 2.3379293196521375E-01
>
> Si 8.6105585753538452E-02 5.0593505976705477E-01
> 2.2474077405524959E-01
>
> Si 4.1928440039488601E-01 5.3202956831114900E-01
> 2.4888903862232040E-01
>
> Si 7.5110104720354587E-01 5.1751414796081341E-01
> 1.8623319375503375E-01
>
> Si 8.7010409134891040E-02 5.1721773980339680E-01
> -2.7557788603381639E-01
>
> Si 4.2653328985876254E-01 5.3829838819185472E-01
> -2.5931663126388615E-01
>
> Si 7.6046780906784672E-01 5.2758793161932660E-01
> -3.1906772881526502E-01
>
> Si 4.1308194014055086E-03 7.6158057861721695E-01
> 7.1485467908596856E-01
>
> Si 3.4065455667555811E-01 7.7713559351274719E-01
> 7.6180820267965244E-01
>
> Si 6.7216236348476732E-01 7.7659011774637643E-01
> 7.3094072544381705E-01
>
> O -1.1878218813567269E-02 3.0552745818390664E-01
> 4.8280560072965090E-01
>
> O 3.2534359022021714E-01 2.9856267054696761E-01
> 4.8739837981605194E-01
>
> O 6.5459429717159567E-01 3.1354805498570237E-01
> 4.9667146459659384E-01
>
> O -6.5493491435707846E-02 7.3987035855770614E-02
> 4.7133359479224785E-01
>
> O 2.8343965462831011E-01 5.7544239543412048E-02
> 5.0199954959918802E-01
>
> O 6.0645474568684277E-01 8.0411343198029658E-02
> 4.8127461096256202E-01
>
> O -1.0361665799257674E-01 5.1902937334036747E-01
> 1.5269439877956825E-03
>
> O 2.2929932005432291E-01 4.9022239837175363E-01
> -1.6687967196445365E-02
>
> O 5.7510315968771086E-01 5.5505989986414106E-01
> 1.6765167432921889E-03
>
> O -1.5048693004773869E-01 2.6639299888620860E-01
> -2.1670041572313344E-02
>
> O 2.0098078886913701E-01 2.3749435467912119E-01
> 7.9420726905134603E-03
>
> O 5.2624952734344110E-01 2.6310975412788418E-01
> -3.3137604018173943E-02
>
> O 1.4855796511998642E-01 2.7374924253425853E-01
> 5.4444127123678032E-01
>
> O 4.8872323639323589E-01 3.2198797401925000E-01
> 4.8030557913383631E-01
>
> O 8.1704058662153900E-01 3.1203487583835615E-01
> 4.7220122260593200E-01
>
> O 1.1121100837234671E-01 5.0778845073779673E-02
> 4.8466117096323197E-01
>
> O 4.3974684061730146E-01 6.6268084776109556E-02
> 5.0874854726074203E-01
>
> O 7.7838981369917049E-01 4.1058009818272338E-02
> 5.0026214133653213E-01
>
> O 6.3728973553019166E-02 4.8973852557459185E-01
> -2.7052446586967115E-02
>
> O 4.0885117131362303E-01 5.1885022761899779E-01
> -1.5993682203382670E-03
>
> O 7.3720399814093507E-01 5.3225413018148182E-01
> -5.1338061388779464E-02
>
> O 1.7514086304398453E-02 2.4138969601789401E-01
> -6.2115022737974793E-03
>
> O 3.6656075410914180E-01 2.3581258211886555E-01
> -1.5793451951417081E-02
>
> O 6.9485493847121360E-01 2.9394866359498839E-01
> -6.7374881584215352E-03
>
> O -1.6443710666432139E-02 7.5651417949321542E-01
> 4.5276018071208490E-01
>
> O 3.2310969071213769E-01 7.6996596573365128E-01
> 5.0449325642113896E-01
>
> O 6.5977726384153301E-01 8.0845240401017637E-01
> 5.0688526911080822E-01
>
> O -6.2262006709177670E-02 5.2749959574059080E-01
> 4.4829536660151253E-01
>
> O 2.7138131278662819E-01 5.4622074335054704E-01
> 4.8385556449263428E-01
>
> O 6.1011595182630307E-01 5.2511485241824174E-01
> 5.0581060461093608E-01
>
> O -1.0149553460362105E-01 -8.1387968659170709E-03
> -2.9366724921998238E-02
>
> O 2.4733689204882378E-01 5.0908399535326512E-02
> -9.7578099084225170E-03
>
> O 5.6931976008062313E-01 2.6835192678783457E-02
> -1.1314431483755034E-02
>
> O -1.3887656683196792E-01 7.5123800761418058E-01
> -5.1309205656639337E-02
>
> O 1.9324396530004936E-01 7.4767127175232662E-01
> 4.1979769446028560E-03
>
> O 5.2494990631098248E-01 7.6333610809740460E-01
> 3.0574808145849161E-02
>
> O 1.4617412607252761E-01 8.0078270768998783E-01
> 4.7200702372662207E-01
>
> O 4.9304351823601533E-01 8.0373289452578667E-01
> 5.2894697403248703E-01
>
> O 8.1861758889537684E-01 7.9734042277907025E-01
> 4.6405822054630902E-01
>
> O 1.0613900018604805E-01 5.2752066790318786E-01
> 5.0089283822038722E-01
>
> O 4.3028584371646050E-01 5.3162864139873556E-01
> 5.0404694700094377E-01
>
> O 7.6593811579181159E-01 5.7746317699423111E-01
> 4.3943064391638875E-01
>
> O 6.9074017430591869E-02 9.8625825365779340E-01
> -1.1743750928364813E-02
>
> O 4.0855044490693032E-01 1.0099136489685512E+00
> 1.2942617616775672E-02
>
> O 7.3278805964507998E-01 1.0134559112487829E+00
> 7.7587951041807827E-03
>
> O 1.1351442273952140E-02 7.6984648457750082E-01
> -3.0443201819517870E-02
>
> O 3.6173926597329115E-01 7.5438342647906931E-01
> 1.0749789236811467E-02
>
> O 6.8814086233305460E-01 7.4930757556926209E-01
> -2.2842503725533106E-02
>
> O -2.4305496384270382E-02 4.2330156012153608E-01
> -1.8372749524803253E-01
>
> O 3.0345900794182890E-01 4.3741335155178851E-01
> -2.0300991811696026E-01
>
> O 6.4554792961403140E-01 4.2230263930582740E-01
> -2.0812869415848206E-01
>
> O -5.3268767358980292E-02 1.7556255509952184E-01
> -2.3282430120032266E-01
>
> O 2.9177963792909584E-01 1.8484361079008063E-01
> -1.9344921357399214E-01
>
> O 6.2715737202723276E-01 1.7535140156010434E-01
> -2.1958423971101176E-01
>
> O -1.0647290833109282E-01 3.5062621014402728E-01
> 2.6631564824526527E-01
>
> O 2.1982044547544091E-01 4.0139072120223040E-01
> 2.8831197551635296E-01
>
> O 5.5892963407158514E-01 3.9914592912371133E-01
> 3.4134045126967416E-01
>
> O -1.3587109404809244E-01 1.2799439427143244E-01
> 2.6876324681385144E-01
>
> O 2.1554264426871547E-01 1.3017599581602080E-01
> 3.3743660166770978E-01
>
> O 5.3891326006969009E-01 1.7073403769878967E-01
> 3.3236669776285604E-01
>
> O -1.2686866154063736E-01 1.2982463363124630E-01
> 6.8839323178744316E-01
>
> O 2.0304876997866381E-01 1.1051802910870825E-01
> 7.2592900534206761E-01
>
> O 5.2929632306327168E-01 1.3395553737414059E-01
> 6.6736547858912743E-01
>
> O -1.0981562869526811E-01 3.5300471143040801E-01
> 6.8100547035560954E-01
>
> O 2.2886215483162267E-01 3.6206036542283054E-01
> 7.0014267905244465E-01
>
> O 5.5883996195459495E-01 3.8184670400672027E-01
> 7.5478189930884432E-01
>
> O -5.3629913499751117E-02 2.1445218960807996E-01
> 1.5957898436047155E-01
>
> O 2.8813122877352482E-01 1.6731855466497261E-01
> 1.9131733292603320E-01
>
> O 6.1613766030905237E-01 1.9027573697133326E-01
> 1.7849394450190795E-01
>
> O -3.1084499894746039E-02 4.2241435308881364E-01
> 1.8030681179255534E-01
>
> O 3.0893828187814665E-01 4.2446062424102593E-01
> 1.7456660927200998E-01
>
> O 6.4496027128042310E-01 4.3079286096095126E-01
> 1.9729955645453781E-01
>
> O 1.4710366585227883E-01 4.3741085947674629E-01
> -2.0896564616873031E-01
>
> O 4.6960603807939089E-01 4.3101301948758197E-01
> -2.0131877755975772E-01
>
> O 8.1056850323503482E-01 4.3248075169291733E-01
> -2.3467594116569832E-01
>
> O 1.2331698068198374E-01 1.4692262195893321E-01
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>
> O 4.5232386649368567E-01 1.7480993729864749E-01
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> O 7.8391555227131438E-01 1.6767381649253649E-01
> -2.1838134059461511E-01
>
> O 5.9694328034243384E-02 3.5242810591532936E-01
> 2.6352524128790239E-01
>
> O 3.9039497802214229E-01 3.6468797985268969E-01
> 2.7552578428474889E-01
>
> O 7.2962637939965747E-01 3.7566775959038962E-01
> 2.8695425875641256E-01
>
> O 3.4505595259710101E-02 9.8802952481073986E-02
> 2.8419209881758450E-01
>
> O 3.6765845342493203E-01 1.1901889264525388E-01
> 3.1715533039605454E-01
>
> O 7.0395077892562208E-01 1.1836548203598146E-01
> 2.9752773884738870E-01
>
> O 2.8063322622861930E-02 9.5029511692377250E-02
> 6.5015794232891810E-01
>
> O 3.6476295125605807E-01 8.8623017433614532E-02
> 7.0374469219848801E-01
>
> O 7.0150592854485505E-01 1.1473472599226162E-01
> 6.8136866438645516E-01
>
> O 5.7857866245034403E-02 3.4636958153789460E-01
> 6.7217062870171662E-01
>
> O 3.8518976458030879E-01 3.5273378146441192E-01
> 7.0355634063446948E-01
>
> O 7.2680363262911929E-01 3.8876392778000052E-01
> 6.7172524333779071E-01
>
> O 1.3273358629991072E-01 1.6310026694970095E-01
> 1.6129979301186462E-01
>
> O 4.5452969669820803E-01 2.0284595205831815E-01
> 1.9182842918753723E-01
>
> O 7.8591937834212366E-01 1.7978256568609235E-01
> 1.5812532774263985E-01
>
> O 1.4033667897801375E-01 4.1269811217451718E-01
> 1.6623174864260304E-01
>
> O 4.7703720271037081E-01 4.4320864932387821E-01
> 1.6291797724779025E-01
>
> O 8.0607253807035473E-01 4.2658611727491463E-01
> 1.7358981441861657E-01
>
> O -3.0361172114472069E-02 9.1560731448497767E-01
> -2.4644259974803873E-01
>
> O 3.0693087908151084E-01 9.1075763435471757E-01
> -2.0692296380238806E-01
>
> O 6.3830974802852469E-01 9.2084972199968129E-01
> -1.6933650874815112E-01
>
> O -4.9914913727723650E-02 6.7187707262471830E-01
> -2.5558759876898168E-01
>
> O 2.8502502015620074E-01 6.8379280742634807E-01
> -2.3416879455180786E-01
>
> O 6.1912671101739747E-01 6.9293448326299911E-01
> -2.1105026068616869E-01
>
> O -1.0026969199538097E-01 8.9685040169349806E-01
> 2.5441771635546506E-01
>
> O 2.2065626554037793E-01 8.7066278979515155E-01
> 3.2799645364169716E-01
>
> O 5.6066187646605725E-01 8.7857542231317554E-01
> 3.3318049597205784E-01
>
> O -1.2593518087356351E-01 6.3623473234896921E-01
> 2.8721679207213630E-01
>
> O 1.9081139907637110E-01 6.1242409933442088E-01
> 2.8798907717818084E-01
>
> O 5.4574916545356267E-01 6.1143623822325910E-01
> 3.3157783174048217E-01
>
> O -1.3235302608873989E-01 6.0589610280050832E-01
> 6.4594063179307859E-01
>
> O 2.0184794793124600E-01 6.3002767107121060E-01
> 6.6564174213650495E-01
>
> O
> ...
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