64 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=1107.4178904883686 stress="-0.06363358263611528 -0.01909835688966264 -0.10317728924647425 -0.01909835688966264 -0.050985665088184126 -0.03765931218826964 -0.10317728924647425 -0.03765931218826964 -0.19667807362912326" pbc="F F F" Ne 17.35621251 18.05319945 18.11491855 -3.69792587 -3.06482486 -4.14326827 Ne 18.29377403 18.45055191 17.89948018 -503.29070229 283.81192237 -75.14642233 Ne 18.24351375 18.69402021 17.36597996 -21.47489045 103.86820677 -227.55768301 Ne 19.76108127 19.23861590 18.45754405 -0.01262062 -0.02217512 -0.02633007 Ne 18.69051619 18.15790931 18.12725575 525.51042571 -387.50609476 300.93265613 Ne 18.73919755 17.85798843 18.98428116 -0.15423495 -1.29161213 0.68363646 Ne 17.80516553 18.42743978 18.62643247 2.73116757 2.95602199 5.08702490 Ne 18.67404030 18.73063933 18.94392536 0.11699900 1.30638462 0.06698761 Ne 20.04112770 18.32880414 17.21599704 -0.00200835 0.00656449 0.01183791 Ne 20.28990561 17.32524015 18.40603039 0.29379899 -0.11882306 -0.35136174 Ne 20.75884779 19.53550444 17.44203523 -0.00748668 0.01249171 0.01587193 Ne 22.11094038 19.26629320 18.21688535 -0.00533470 0.00019410 0.00370682 Ne 21.14189697 17.74084269 18.88516283 -2.34919678 -1.34331754 -1.75986094 Ne 21.73354241 18.08137171 19.33000706 2.36796138 1.37612172 1.79516986 Ne 19.69256795 19.46002250 19.98325153 0.61928477 -0.17329016 0.52515466 Ne 19.86936783 19.96181870 19.23847786 1.04524163 0.05754400 -0.59788949 Ne 17.84149261 20.49161869 17.51676575 0.80123237 0.05397276 -2.70695684 Ne 17.60998561 20.47730006 18.30701733 -0.78634032 -0.04745193 2.71058293 Ne 18.43149818 21.58922968 17.59051548 -0.02209575 -0.03185823 -0.00230406 Ne 19.19163291 22.28846019 17.92227029 0.02207273 0.01090224 0.01278773 Ne 19.39103502 20.54766219 18.54651126 -0.02289805 0.08945075 -0.16370612 Ne 19.03390886 20.20651761 19.42824287 -0.91215476 0.22288250 0.31185360 Ne 18.33249543 21.95673924 19.14703567 0.14749764 -0.05672374 -0.09723253 Ne 17.54929282 22.22300181 19.69397047 -0.13610914 0.04231021 0.10007740 Ne 19.85992018 20.30118530 17.48994516 -8.44581842 -11.14484582 -9.13195673 Ne 20.24020750 20.75349389 17.91478192 1155.88641298 -2951.29076988 2463.52001415 Ne 20.94264149 20.76523381 17.41162932 1.61185674 -0.17352709 -0.94372383 Ne 21.79112632 21.15641684 19.11967290 0.03182222 -0.06315813 -0.06131209 Ne 21.31593799 19.88796139 18.72999724 -11500.51265530 -7464.41296704 -21424.62078731 Ne 21.50269966 20.00917951 19.07792130 11500.48905236 7464.42469308 21424.63758583 Ne 20.10391892 21.10464759 17.62374432 -1149.03293694 2962.58276617 -2453.43125448 Ne 21.31591208 21.68074123 19.86525738 0.07361883 0.58678132 -0.12744693 Ne 17.21729559 17.96787532 20.02225253 -1.11844847 -0.29422627 -1.86574935 Ne 17.64791611 18.08282209 20.73249584 1.13522381 0.28318053 1.84194931 Ne 18.47574642 18.70659967 20.12605494 -33.57578730 -40.72494949 24.46851654 Ne 18.85538417 19.16710920 19.84946174 32.81276833 40.49276363 -24.48944672 Ne 19.12741913 17.94976996 21.10175146 0.06916874 -0.19851763 -0.20067197 Ne 18.88756303 18.63853170 21.72769804 -15.86895053 -1.22067191 -3.29862840 Ne 17.85016993 18.96848934 21.31339713 1.24970874 -3.83712036 2.26653405 Ne 18.28161734 19.79451111 21.09898463 14.98727093 4.17587873 3.81894377 Ne 19.64112585 17.53147510 19.04101134 -0.05946777 0.02109179 0.34585774 Ne 20.52970651 18.04214596 20.39257296 -4.63868382 -0.94813124 -1.52833057 Ne 20.49571484 18.66996058 19.79137580 -0.04225501 0.94484854 -0.90700493 Ne 21.77236546 19.90647774 20.30894099 2.83995311 0.48860243 -0.55125573 Ne 21.22838655 18.04329418 20.75473468 4.68346146 0.04934633 2.38111343 Ne 21.22313899 17.35048922 21.55683530 -0.00319513 -0.02863037 0.03494662 Ne 19.59191473 18.70299614 21.88296611 15.78793542 1.45415696 3.47463355 Ne 21.40673443 19.01359322 22.21685881 -0.00210408 0.00228287 -0.00620092 Ne 17.60200813 19.61557627 20.91933880 -16.23549358 -0.32698450 -6.12112828 Ne 18.47771487 21.13927630 20.44594319 -0.87151784 -0.13424142 0.46550967 Ne 19.57060392 21.46506603 20.66484491 5.40766432 3.62941780 10.76805806 Ne 19.25369859 21.25190508 20.03343308 -4.52837645 -3.53006214 -11.25921658 Ne 19.01314866 20.14812831 21.77825499 0.04471511 -107.35496243 -61.65748340 Ne 19.38896674 20.09839102 22.34543515 20.26159570 -3.25229689 30.24305672 Ne 17.43920757 20.79778769 20.75046908 0.00495366 -0.00873928 0.00847469 Ne 17.56698763 21.75836781 21.74767864 0.00368991 -0.00841397 -0.00775099 Ne 19.97225526 20.12075447 20.67786939 -0.02099285 0.08896235 0.12354318 Ne 20.59428851 20.92602330 20.37161154 -283.01959178 48.33914161 106.08317364 Ne 21.13032972 20.83452711 20.17068034 282.91348535 -48.84453976 -105.91279722 Ne 22.03084394 22.24624924 21.69409358 -0.00134615 -0.00152741 -0.00122042 Ne 20.97698096 19.76978893 20.46076918 -2.83349008 -0.51282700 0.53088533 Ne 21.60419371 20.11004112 21.80074347 -0.00569319 -0.00399804 -0.01044154 Ne 18.90682273 20.73893581 21.94915240 -20.26467385 110.61199724 31.41006544 Ne 20.15781669 21.30223164 21.57858583 0.00543770 -0.01860207 0.00661411