64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=402.14663819774506 stress="-0.004393979195123729 -0.00038066542929440794 -0.0010288341684481174 -0.00038066542929440794 -0.005621451907863723 0.000829275875186788 -0.0010288341684481174 0.000829275875186788 -0.004266859835447194" free_energy=402.14663819774506 pbc="F F F" Ne 34.83451651 35.10535810 35.39397009 -23.28728431 -10.28863370 -6.99305749 Ne 36.33268130 35.76741069 35.84410269 22.35055589 9.96901176 6.21082791 Ne 36.64919348 37.61204406 34.82226869 0.10006174 0.99244500 -0.68798469 Ne 37.98134164 39.07917266 36.28232034 2.07779127 -2.62416987 -6.76001261 Ne 37.24217325 34.85297404 37.47687593 -23.90266980 -21.35889547 -16.15394573 Ne 38.35961812 35.78492223 38.26964376 23.72185402 20.56669818 16.57892201 Ne 35.05236494 37.39055695 37.67204097 -0.05019595 -0.00300632 -0.04738421 Ne 36.55604684 39.07636534 38.99475015 -282.02271937 515.55887246 -264.58717402 Ne 40.70088882 35.54050247 34.99882356 -0.15935918 -0.13180649 -0.30400514 Ne 41.66337300 36.36674795 36.94832907 -6.53155741 6.26417451 -2.57221326 Ne 42.86277397 37.52887429 35.13407940 -10.96528471 -14.75182686 -14.45078551 Ne 43.67164286 38.61541692 36.18479006 11.08351569 14.74921241 14.29837145 Ne 42.93908890 35.17473801 37.50606904 3.17962527 -10.72276862 -2.43851688 Ne 43.78110695 36.23326230 38.78594819 10.60285963 -1.04606683 -5.25959936 Ne 39.69020290 37.57777497 37.77741105 -1.07004224 -0.42545901 -1.20912958 Ne 41.02074724 38.51099541 39.05570660 1.55823616 0.70327873 0.76058239 Ne 34.69377201 39.99586385 35.35582450 -0.16772851 -0.12062463 -0.12733029 Ne 36.36826737 41.12442926 36.63175822 -0.20617015 -1.12404755 -0.10504143 Ne 37.29345274 42.29085015 35.09374850 -0.28918724 0.01196018 -1.64552254 Ne 38.61643991 43.32327578 36.40123177 -205.96989708 126.75700876 -139.49054050 Ne 37.49628893 39.73932125 37.95902960 51.95010901 40.01188858 -52.74259502 Ne 39.14193657 41.14159098 38.05157904 -1.14830572 -5.14899982 3.41190884 Ne 35.57718541 42.76939185 37.70660126 -0.16790432 -1.56353590 -4.98058200 Ne 35.46670815 43.56634079 39.42105497 -0.59049045 3.19879501 5.26605865 Ne 40.62134983 40.36716718 34.90225128 -0.47726431 -0.50028237 -0.84458384 Ne 41.55001050 41.34881552 36.57847405 -84.14398520 71.56891665 -67.97426409 Ne 42.03909150 43.34588795 34.73563332 -0.18589006 -0.05958423 -0.21765108 Ne 43.55875820 43.93086425 36.45407384 0.17790608 0.06213783 0.21552091 Ne 42.52861623 40.52701693 37.37163078 80.69373032 -74.66142548 63.49281439 Ne 43.53760724 41.38896908 38.68453127 7.56398663 -0.67533092 2.92917304 Ne 39.66448343 42.68403127 37.11226018 207.04985266 -120.65415332 134.61245906 Ne 40.71516120 42.93281997 38.81358906 -7.16062069 1.48435515 -0.90975588 Ne 35.49133878 35.41385920 39.50427763 -28.66796931 -123.46686384 -127.38081537 Ne 35.72537574 36.42200066 40.54480565 28.24335327 123.02030070 127.62229823 Ne 37.00297454 37.99791377 39.62151619 230.53197653 -555.00861136 322.59749862 Ne 38.78243708 38.51836867 41.81092657 -30.66894678 -25.42797201 41.30986050 Ne 36.72507306 35.26357726 42.58695412 -1.23410574 -0.41095578 -0.47031757 Ne 38.60175368 35.82109747 43.37957487 0.95095076 0.12094365 0.71552557 Ne 35.19188989 38.43113208 42.68280383 -482.13378298 -278.23987855 -287.44441749 Ne 36.21823021 39.02325150 43.29514912 118.13453741 -139.75419744 619.06349591 Ne 39.49937938 35.22198360 39.97615061 0.63554338 -0.35120957 0.99710783 Ne 41.48837336 36.00831489 41.43404765 -70.26450058 113.08443158 -61.31722894 Ne 42.87610597 36.93808096 40.15118991 -29.64007209 -83.21461577 -73.61412917 Ne 43.16214879 38.02171062 41.16224051 23.62507501 89.28024794 83.32301476 Ne 42.20384740 34.85081933 42.03810700 71.55103834 -115.81988088 60.41104660 Ne 43.86711865 36.22502115 43.65084414 0.01656814 0.02253275 0.01586962 Ne 40.22865493 37.14039452 42.44921816 -1.63121443 -1.65435536 -0.89742629 Ne 40.58029149 38.47117941 43.82796402 0.80054369 2.91532875 3.04218526 Ne 35.12004424 40.00042707 40.00682194 -2.75126404 -0.24414950 0.84190445 Ne 35.46449589 41.83541913 40.87433342 19.81895975 -28.33505159 -35.83540818 Ne 37.49308810 42.33652103 39.54899916 -0.66081519 -1.00025976 -1.60130246 Ne 38.44716409 43.23465428 41.12953737 0.85183567 0.98484466 1.55658274 Ne 36.96786264 39.88429939 42.61156932 363.83895652 418.11925808 -331.57247655 Ne 39.41085560 41.10936237 43.54917825 -1.54173260 -1.56070871 2.20674922 Ne 34.84911262 42.76766083 42.04035502 -19.66629280 29.62087293 37.06001197 Ne 36.41851943 43.83337009 43.68242222 0.07855725 0.04537540 0.07203984 Ne 39.60675953 39.24865510 40.64950065 29.24909797 26.36396231 -41.53748384 Ne 40.89974943 41.22892384 41.12165250 81.35284618 -143.62775058 -164.90641497 Ne 42.42514645 42.72433644 39.45486603 5.14129923 3.09963111 5.56979895 Ne 43.90918678 43.68770482 41.32374220 0.03886435 0.02160885 0.05900347 Ne 42.89864609 40.36253528 42.01114327 -0.39578687 -1.04949780 -1.95421424 Ne 43.43271795 41.23545638 43.76561610 0.63311493 1.05052316 2.10098181 Ne 40.39757659 42.11536967 42.13716159 -79.85499055 145.37605319 162.68829871 Ne 41.35328338 44.02988149 43.99820222 0.00482787 0.00190563 0.00339748