64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=633.120696529 pbc="F F F" Nb 0.22086729 -0.01689004 -0.22903346 41 -73.25982023 -38.51283411 -94.52956927 Nb 1.15142137 0.46613003 0.98055861 41 59.23709825 18.79762008 97.86485846 Nb 2.14715992 2.22516294 0.46095830 41 4.51467500 8.18537361 -11.52547359 Nb 2.98736736 3.99745172 1.33024966 41 -10.57568606 -16.71565689 -74.58695823 Nb 2.79428433 0.24064375 2.76200555 41 -64.33544827 -41.15533891 -64.83018039 Nb 3.85840215 0.88656467 3.85899891 41 62.13772653 45.21073040 60.05410943 Nb -0.13726968 2.66171571 3.07174639 41 -16.11896161 -18.09933776 -11.28340469 Nb 1.16546094 4.07636534 3.80321016 41 -126.78393947 124.50198414 -150.22170198 Nb 5.94546432 0.26499873 0.04153483 41 -136.87290507 -108.72980936 -220.18970190 Nb 6.55012441 0.74045746 1.03426861 41 104.32879831 47.36440614 246.32880611 Nb 7.32316245 2.26153012 0.30145827 41 10.19591681 39.20312630 -36.15358877 Nb 8.67982227 3.56376137 0.86736005 41 22.89107634 19.41311685 8.22751840 Nb 7.56694525 0.64834788 3.33921004 41 -42.31646949 -17.88221485 -36.67159391 Nb 8.94092265 1.22037119 4.49165603 41 146.92658026 -121.11199911 -57.14175361 Nb 4.89669475 2.66086913 2.20485326 41 1.85071877 -2.64116215 -3.28733645 Nb 5.88770729 3.85467497 3.80938152 41 15.09970684 -4.15519797 -4.21346486 Nb -0.27058365 4.65017747 0.17843495 41 -14.07529943 -25.99613926 -10.87436249 Nb 0.67994952 6.20201413 0.91957267 41 -23.23217121 -13.20546025 39.56710612 Nb 1.83832478 7.32454839 0.07964709 41 36.52899010 35.46145091 -29.76647920 Nb 3.61337361 8.32327578 1.42261970 41 -119.77379605 93.29286439 -78.37451481 Nb 3.28818839 4.60398937 2.96422878 41 -73.25014775 -78.94506783 10.13972976 Nb 4.18297782 5.79320854 3.39174556 41 83.14485326 118.15573285 35.40699155 Nb 0.45513434 7.76658579 3.09838853 41 2.62241225 -147.40990888 -169.99163411 Nb 0.43178527 8.66349090 4.11824152 41 -6.18751782 152.02901852 165.22501563 Nb 5.74846650 4.94658509 0.04279382 41 -39.04785458 -85.91850622 -73.92607611 Nb 6.25739794 6.12475624 1.02009382 41 29.10110271 92.95954406 56.96661092 Nb 7.13769125 8.39715740 -0.13908960 41 5.22734334 1.18113798 4.25868740 Nb 8.95919567 8.56976063 1.11090817 41 -6.65476095 -1.52419735 -3.00076669 Nb 7.58087455 5.12158136 2.35935114 41 -3.82135710 -24.68491691 -10.82681832 Nb 8.48728399 6.04072095 3.80509529 41 26.50784951 3.58086666 19.52281462 Nb 4.66448343 7.52395705 2.11226018 41 86.70450235 -99.81771847 25.93757839 Nb 5.69600074 8.31914392 3.44435347 41 29.85565840 30.54159191 39.48259075 Nb 0.25675350 -0.02949694 4.95289281 41 -30.13692198 -18.21570750 -34.83477543 Nb 1.43013495 0.69345059 6.25682430 41 -34.96276230 59.06826678 -67.94682682 Nb 2.00297454 3.42977861 4.62151619 41 137.91661509 -122.05217794 145.30981356 Nb 3.86849187 3.85023956 6.34725891 41 -16.09457489 -74.95889036 156.96399359 Nb 2.25878251 0.19072812 7.53388361 41 52.59022645 -41.40799075 95.04832974 Nb 4.17521305 0.51291381 8.58475277 41 -14.37121334 -35.78160969 17.23886051 Nb -0.36991236 3.19598943 7.61321205 41 -58.03702207 -44.98974014 -46.83919715 Nb 0.78068058 4.06120079 8.54655608 41 41.48098089 34.75033447 57.44362674 Nb 4.64179624 0.01293263 5.68543084 41 1.86140458 -5.72370692 7.36172837 Nb 6.86470800 1.00831489 6.31515298 41 -137.20179302 233.80460939 -232.85712345 Nb 8.16383801 2.25781209 5.15991133 41 -123.46754346 45.70082993 -6.86991415 Nb 8.60556472 3.49425818 6.03735392 41 40.94434891 115.48320667 80.48387508 Nb 7.20384740 0.28382523 7.03810700 41 117.63383707 -255.32195041 252.84409290 Nb 8.59208859 1.28915520 8.84640201 41 -0.34919981 1.67865827 -0.24622474 Nb 5.27212323 2.00409575 8.18650415 41 -3.97595034 -18.04361354 -14.39585582 Nb 6.12406721 3.60603770 8.38235393 41 16.68191585 28.87774126 23.03886116 Nb -0.18875895 4.70373369 5.24901283 41 -17.61445003 9.49391701 18.01260968 Nb 1.17134345 7.09972834 5.80965119 41 -75.96896662 -15.37664773 34.98481812 Nb 2.73401455 7.28245972 5.05306980 41 4.92026144 -78.36669009 -108.91344757 Nb 3.63834321 8.28337470 5.87827378 41 78.11950754 87.84058619 71.84346271 Nb 2.36102597 4.94186987 7.45636581 41 -12.88579454 16.05389550 -11.71800383 Nb 3.95534417 5.43937298 8.60966485 41 14.39909426 6.09260167 13.39210292 Nb 0.09761753 7.51141320 7.75619644 41 -16.05419418 -8.19251566 -2.08893941 Nb 1.43749719 8.49924395 8.84998104 41 12.83273788 8.17370998 9.17636411 Nb 4.09404749 4.36099583 4.99664964 41 35.26620621 49.25908040 -121.24219558 Nb 5.89974943 5.79583869 6.00830073 41 -5.99835205 -43.78953328 -76.25079846 Nb 7.34497277 7.51417045 4.71375535 41 -2.62042891 10.36345036 10.77967138 Nb 8.62747934 8.43226451 6.88357830 41 -2.39169645 -1.11921175 2.78940691 Nb 7.06917816 5.15187113 7.50598028 41 25.20616012 6.51376861 0.70528493 Nb 8.47830542 5.92463545 8.76389062 41 12.88550591 8.73467803 10.71412831 Nb 5.60367238 7.11536967 7.13716159 41 -13.54428033 58.64874152 49.74025406 Nb 6.21032957 8.98404761 8.52829379 41 2.36746816 -0.57118881 -1.25502058