500 Lattice="40.15170851920152 0.0 0.0 0.0 40.15170851920152 0.0 0.0 0.0 40.15170851920152" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-263.80790123314114 pbc="F F F" Rb 0.01359435 -0.02030317 -0.05231612 37 -0.05284451 -0.05025628 -0.05151577 Rb 3.98802630 4.01106310 0.00453911 37 0.05083371 0.06605300 -0.11250332 Rb 4.01726040 0.00585049 3.94808824 37 0.06267878 -0.11374247 0.06917510 Rb -0.03389235 3.97010909 4.02814356 37 -0.10904586 0.06423432 0.04860701 Rb 7.99428011 0.00476626 -0.00936693 37 0.01889111 -0.07229003 -0.07636362 Rb 11.99170661 4.04329167 0.02373693 37 0.01632687 0.05789718 -0.08848241 Rb 11.99764606 -0.06083797 3.99826267 37 -0.00121834 -0.08195593 0.07060266 Rb 7.98731998 4.09250129 3.96858752 37 0.03128685 0.05228492 0.08803277 Rb 16.01034796 0.07397624 0.01906511 37 -0.00311293 -0.07606398 -0.08355827 Rb 20.11146490 3.97657708 0.02071981 37 0.00279554 0.07364211 -0.09704331 Rb 19.98595772 -0.01252152 3.99770818 37 0.02486795 -0.10403500 0.05088941 Rb 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0.07071441 0.01027189 -0.06255391 Rb 36.06007882 8.09954055 3.99570301 37 0.10325217 0.01597091 0.06000384 Rb 32.06313782 12.10211585 4.09172871 37 -0.06447227 -0.00868437 0.07769521 Rb -0.02096693 16.04629994 0.07278635 37 -0.06872410 0.01634991 -0.08171309 Rb 4.04649079 20.13581311 -0.03293565 37 0.04738688 -0.00110045 -0.07799291 Rb 3.97545718 16.01342848 3.98761167 37 0.09187450 0.02172431 0.10848876 Rb -0.06884914 20.13920314 4.04692954 37 -0.07912882 -0.00068154 0.04297328 Rb 8.00443185 16.02361696 -0.02943974 37 0.03405528 0.01955119 -0.07756091 Rb 12.05902559 20.15375680 -0.00544859 37 -0.00021323 -0.02664290 -0.07491014 Rb 11.98033556 16.10731396 4.00908443 37 0.03255184 -0.01111912 0.07757602 Rb 8.03615981 20.02221885 3.98848526 37 0.01304240 0.01468458 0.08861975 Rb 16.13959781 16.08684258 0.03781826 37 -0.01940859 -0.00718400 -0.06360145 Rb 20.14429305 20.06966945 0.00389402 37 -0.00718837 -0.00340414 -0.08860513 Rb 20.15368058 16.11950524 4.00862004 37 -0.02233396 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36.14938194 28.09944082 0.03927708 37 0.07962278 -0.02054548 -0.07626137 Rb 36.06462905 24.11321273 4.03913286 37 0.09298839 -0.02097151 0.07423922 Rb 32.15344352 28.13009830 4.06653713 37 -0.09776839 -0.04590156 0.08191627 Rb -0.02234439 32.08640655 -0.02449630 37 -0.08264214 -0.03534967 -0.08276843 Rb 3.96819036 36.09889018 0.02758871 37 0.04621996 0.08592329 -0.08720673 Rb 4.04703566 32.15409593 4.06724076 37 0.06696436 -0.08224737 0.06732202 Rb 0.02195397 36.08648276 4.03650683 37 -0.09257052 0.08518938 0.03724576 Rb 7.98681867 32.07881184 -0.07705801 37 0.02720126 -0.03739604 -0.08438873 Rb 12.02099201 36.19431109 -0.06147349 37 -0.00312589 0.05845384 -0.05970221 Rb 12.02000360 32.16589818 4.07520474 37 0.01509643 -0.08626922 0.05115842 Rb 8.01874292 36.19564483 4.04638589 37 0.01730220 0.08902968 0.03840177 Rb 16.07533178 32.19878928 0.07327708 37 -0.01666789 -0.08727614 -0.09231409 Rb 20.00149206 36.12979174 0.05250751 37 0.01224610 0.08843315 -0.09151107 Rb 20.14558759 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-0.01996772 -0.02868342 -0.06620726 Rb 8.05655081 28.01143163 28.17991968 37 0.03299137 -0.00363817 -0.03332817 Rb 16.05117845 24.15392753 24.14909802 37 0.00199670 -0.03435303 -0.04023855 Rb 20.01134273 28.06596653 24.11965630 37 0.00456781 -0.02453474 -0.01311592 Rb 20.17137253 24.16273962 28.11507915 37 -0.01965756 -0.02910821 -0.01962158 Rb 15.97554153 28.04576847 28.15234892 37 0.01653244 0.00702662 -0.05542533 Rb 24.04526628 24.01419840 24.13636317 37 0.00522305 0.01094659 -0.01650528 Rb 28.05316232 28.09250816 24.06886828 37 -0.02762594 -0.03002050 0.00280288 Rb 28.06422775 24.14549468 28.10034729 37 -0.01999778 -0.02528856 -0.02014269 Rb 24.07603408 28.15696317 28.08140606 37 0.00125629 -0.03306563 -0.02382325 Rb 32.06882327 24.12019818 24.12178512 37 -0.08742264 -0.02021520 -0.01056393 Rb 36.15722045 28.04444548 24.11449340 37 0.07186090 0.00584670 -0.01267809 Rb 36.10299281 24.13452037 28.06946441 37 0.07476034 -0.02191811 -0.02131454 Rb 32.13933854 28.13305415 28.12382977 37 -0.09880393 -0.01664335 -0.02618814 Rb 0.06691850 32.08949436 24.02558365 37 -0.10566031 -0.05735580 0.00156421 Rb 4.02452986 36.11285105 24.15787957 37 0.06460548 0.10336886 -0.02348508 Rb 3.99326923 32.18402858 28.03796403 37 0.09676159 -0.10613714 0.01065274 Rb 0.07931560 36.13341283 28.09498837 37 -0.09453511 0.07778821 -0.01945444 Rb 8.03316927 32.08411013 24.12610344 37 0.03512998 -0.10284304 -0.01601734 Rb 11.99470419 36.12687595 24.14285452 37 0.02569804 0.07412435 -0.02429240 Rb 12.00787393 32.19944342 28.02603719 37 0.03129398 -0.13809930 -0.01615781 Rb 8.13050873 36.08577821 28.09961424 37 -0.01114520 0.09149084 -0.01101645 Rb 16.09795404 32.08555275 24.05208197 37 -0.01867300 -0.09970649 0.02256862 Rb 20.11862708 36.13189731 24.16909410 37 0.00281882 0.07328441 0.00363995 Rb 20.12771950 32.13362580 28.08713017 37 -0.02043287 -0.09768359 -0.02931502 Rb 16.04583916 36.13350627 28.14667782 37 0.00480033 0.06752238 -0.02624996 Rb 24.16323894 32.10163312 24.14713226 37 -0.01352532 -0.07642448 -0.01732055 Rb 28.15782301 36.18832904 24.11115619 37 -0.03512669 0.06961488 -0.01465659 Rb 28.11057834 32.16112366 28.17183539 37 -0.03094589 -0.10313606 -0.02968352 Rb 24.18384300 36.17189594 28.15647403 37 -0.00868919 0.07073829 -0.02778396 Rb 32.07933971 32.07059416 24.12752760 37 -0.06797444 -0.08249607 -0.01219078 Rb 36.12972908 36.15373764 24.06512339 37 0.06993409 0.06623881 -0.00694836 Rb 36.20405189 32.19089926 28.08780143 37 0.08960102 -0.07569686 -0.01552281 Rb 32.14753982 36.08218271 28.07332441 37 -0.05914507 0.09978162 -0.00473688 Rb -0.00171146 0.06288135 32.16850323 37 -0.09887303 -0.08519117 -0.05701801 Rb 3.96351688 4.00366728 32.18308967 37 0.08492564 0.08423322 -0.09535342 Rb 3.94118086 -0.04653993 36.10147297 37 0.05694043 -0.08530775 0.09151699 Rb -0.01010275 3.98309061 36.18249672 37 -0.08544490 0.04936228 0.09314072 Rb 8.07729947 -0.06458043 32.18024791 37 0.00303305 -0.08610218 -0.07757972 Rb 11.97859876 4.00291993 32.04257996 37 0.02030049 0.10000960 -0.05704152 Rb 12.01398772 -0.04455357 36.15624098 37 0.01285107 -0.05360651 0.07091048 Rb 8.00315554 4.08681206 36.09017785 37 0.01685695 0.04267050 0.09599979 Rb 15.99435231 -0.05789976 32.04380380 37 0.02178012 -0.08793310 -0.03736047 Rb 20.06387006 3.99433194 32.13492045 37 0.01040029 0.08321708 -0.09788235 Rb 20.13494488 0.02561113 36.14592644 37 -0.01308541 -0.07238133 0.06431914 Rb 16.10084181 4.02906509 36.08988623 37 -0.02169328 0.05145117 0.08028533 Rb 24.12788522 0.00054535 32.14888765 37 -0.01473278 -0.08441880 -0.06656480 Rb 28.11871177 4.00254410 32.17032608 37 -0.01453455 0.07716909 -0.08982347 Rb 28.04740119 -0.03165126 36.13734359 37 0.00643510 -0.07413416 0.07400318 Rb 24.14016488 4.01527262 36.21000736 37 -0.01867744 0.07348322 0.08657276 Rb 32.12032963 0.00174541 32.05395677 37 -0.05926258 -0.10126402 -0.04625076 Rb 36.21618910 4.05243942 32.08827937 37 0.10347599 0.04688442 -0.04097548 Rb 36.14830917 -0.06043136 36.09469880 37 0.04687935 -0.04816287 0.04398318 Rb 32.18083003 4.00727062 36.17837601 37 -0.05988019 0.04083157 0.09555393 Rb -0.07236128 7.99184495 32.15375574 37 -0.09563666 0.00903786 -0.05992122 Rb 3.93951823 11.96639274 32.15510213 37 0.10145812 0.03204588 -0.09138837 Rb 3.98593751 8.07773923 36.17768956 37 0.06361679 0.00209659 0.09448777 Rb 0.06078268 12.03902341 36.13886091 37 -0.07922634 0.02152502 0.07024789 Rb 8.03238123 8.01735482 32.07508939 37 0.02706583 0.03612354 -0.07732670 Rb 12.12214361 12.01546379 32.09569287 37 -0.00861418 0.01887477 -0.07503316 Rb 11.99855837 8.03029759 36.17950053 37 0.01322862 0.02028565 0.05958922 Rb 7.96068040 12.07234580 36.08609397 37 0.03452143 0.00397356 0.06799313 Rb 16.10973205 8.05767152 32.06203622 37 -0.01097812 0.01823889 -0.08846189 Rb 20.03654409 12.12309209 32.09288861 37 0.02445293 -0.02019977 -0.08989105 Rb 20.00874273 8.05799152 36.11216286 37 0.03105898 0.02413395 0.06422971 Rb 16.07288994 11.99143922 36.18782911 37 -0.00940763 0.02702614 0.06445867 Rb 24.13012891 7.98318461 32.08937579 37 -0.02449515 0.05043970 -0.07669585 Rb 28.06150595 12.12292126 32.08216884 37 -0.01523297 -0.01990093 -0.07761357 Rb 28.13186330 7.99177019 36.17852078 37 -0.01433027 0.03789998 0.06528206 Rb 24.17056004 12.11034479 36.17827921 37 -0.02266719 -0.02091639 0.06125961 Rb 32.10266528 8.06192266 32.04426672 37 -0.08181346 0.02264116 -0.04375536 Rb 36.09218152 12.10212659 32.18886112 37 0.10671711 -0.02778180 -0.06347776 Rb 36.08933254 7.97395849 36.21517064 37 0.07233394 0.02197021 0.06265877 Rb 32.17182862 12.07870008 36.18393838 37 -0.08369227 -0.01751962 0.09053777 Rb 0.01489507 16.14789379 32.04185636 37 -0.09152836 -0.01533384 -0.03018003 Rb 4.04799810 20.15657670 32.11455967 37 0.09317990 -0.01088694 -0.06152354 Rb 4.01723133 16.17288885 36.09733485 37 0.05540801 -0.00378824 0.08298462 Rb 0.00895987 20.20453205 36.12809115 37 -0.07319373 -0.01403181 0.06786175 Rb 8.04277100 16.01862863 32.08944669 37 0.02601227 -0.00130861 -0.10643104 Rb 12.07236933 20.09388635 32.14018861 37 0.00767096 -0.02080521 -0.11195950 Rb 11.98160892 16.12300850 36.18304095 37 0.03217320 -0.02419599 0.05595451 Rb 8.14405929 20.05037237 36.14549407 37 -0.00662932 0.02107154 0.06848213 Rb 16.10351202 16.01279910 32.07809832 37 -0.01726386 0.02065279 -0.08388593 Rb 20.11579242 20.03693390 32.16346731 37 -0.01461506 0.01907029 -0.12103438 Rb 20.11531792 16.11064454 36.13458063 37 -0.01182471 -0.00694999 0.07450711 Rb 16.05053541 20.15106560 36.07063012 37 -0.00309376 -0.01434662 0.06572959 Rb 24.11272811 16.00936013 32.14213383 37 -0.01092086 0.01373283 -0.10650842 Rb 28.12615433 19.98497407 32.14971787 37 -0.03141710 0.01804989 -0.11144329 Rb 28.13364841 16.05725149 36.18317981 37 -0.02127279 0.01224528 0.07619824 Rb 24.06277181 20.19726836 36.07874830 37 0.00824653 -0.00978207 0.07064649 Rb 32.17657944 15.99488422 32.16035562 37 -0.10275439 0.01960507 -0.09596715 Rb 36.11339595 20.12578145 32.10206375 37 0.09362669 -0.00776616 -0.06482445 Rb 36.08903798 16.03352292 36.07589529 37 0.08289221 0.02332713 0.08585502 Rb 32.10541097 20.14485121 36.09539526 37 -0.05345476 -0.01171989 0.09192774 Rb 0.01366718 24.07530131 32.04229883 37 -0.09111507 0.01046431 -0.05659076 Rb 4.02664037 28.10002324 32.10018860 37 0.07817501 -0.01262633 -0.08808396 Rb 3.94699647 24.17520818 36.20311341 37 0.08257925 -0.02015946 0.08215840 Rb 0.01048633 28.14795061 36.12828501 37 -0.08250528 -0.01813271 0.06639471 Rb 8.07846457 24.03914758 32.08988091 37 0.01669867 -0.00209688 -0.07143936 Rb 12.15967599 28.02539486 32.16873739 37 -0.03334093 0.00737170 -0.11223624 Rb 12.02215102 24.18988235 36.14406935 37 0.00580147 -0.02727191 0.08098861 Rb 8.00958284 28.04826130 36.08859678 37 0.01438669 -0.00722111 0.07182968 Rb 15.99110449 24.10820874 32.04818019 37 0.04730446 -0.02970630 -0.07822660 Rb 20.03216631 28.14901398 32.11908649 37 0.00572566 -0.04732792 -0.08528473 Rb 20.00214042 24.11895386 36.20106824 37 0.00925752 0.01045817 0.05109812 Rb 15.98608325 28.10700657 36.07246563 37 0.02474899 -0.01475543 0.08817269 Rb 24.14049441 24.16552458 32.11941987 37 -0.01509336 -0.01192920 -0.08804498 Rb 28.12123676 28.13640514 32.13658409 37 -0.02392784 -0.03886974 -0.10188325 Rb 28.17786383 24.10410625 36.17777176 37 -0.02774397 -0.00421926 0.06121932 Rb 24.17534958 28.16580341 36.17186125 37 -0.02299559 -0.03992292 0.07464232 Rb 32.18886056 24.08816873 32.05194334 37 -0.11403700 -0.00447141 -0.07968129 Rb 36.16548424 28.06394121 32.09303567 37 0.09058564 0.00659540 -0.04948280 Rb 36.12611472 24.13593728 36.14524257 37 0.07120803 -0.00557319 0.07375247 Rb 32.11583276 28.13766477 36.18543529 37 -0.04778128 -0.02812631 0.08552078 Rb -0.04175680 32.12703883 32.10137780 37 -0.09959485 -0.05251175 -0.04956657 Rb 3.94981917 36.17821521 32.07938593 37 0.07381756 0.09370452 -0.03064216 Rb 3.97556622 32.12001270 36.21399120 37 0.07674283 -0.03853736 0.08817076 Rb -0.07155573 36.09821169 36.20651336 37 -0.04552992 0.04805687 0.04453827 Rb 8.13043689 32.09075426 32.07026873 37 -0.01135978 -0.08564111 -0.07104846 Rb 11.98958903 36.15699981 32.13028577 37 0.03020797 0.09035636 -0.06026874 Rb 11.98853952 32.08087691 36.11422744 37 0.01367517 -0.05229131 0.09504752 Rb 8.13408072 36.20336422 36.07562340 37 -0.01339678 0.06407289 0.07181468 Rb 16.04143183 32.09007692 32.08381836 37 0.00188694 -0.06387947 -0.08646949 Rb 20.15042934 36.16372462 32.06949572 37 -0.01358961 0.08716584 -0.05809571 Rb 20.06603039 32.11112712 36.17273677 37 -0.01451822 -0.07002145 0.09080711 Rb 16.12763457 36.12619148 36.08309119 37 -0.00923378 0.06464141 0.06311491 Rb 23.98172575 32.08815408 32.18383021 37 0.01710746 -0.07701477 -0.09550278 Rb 28.11696300 36.12228916 32.16587052 37 -0.02440232 0.10090855 -0.05583881 Rb 28.17271707 32.07743829 36.06129650 37 -0.03787405 -0.04444211 0.10510699 Rb 24.02413707 36.08396361 36.19610162 37 0.01139976 0.06895553 0.07078543 Rb 32.10827202 32.15795913 32.17112778 37 -0.04336386 -0.08109241 -0.08984116 Rb 36.20779445 36.14371306 32.11794088 37 0.07279389 0.08127416 -0.03192102 Rb 36.11049716 32.16342769 36.21502415 37 0.08736948 -0.04811530 0.07423340 Rb 32.09502807 36.09854092 36.20262722 37 -0.03409392 0.09428079 0.08238880