32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=123756.53442278311 pbc="F F F" Db 0.46517610 0.15214467 -0.18834394 105 -87362.84353537 -134993.77485947 -31968.60208692 Db 1.23469060 1.35568930 0.07710195 105 84577.53355668 137002.36023992 22396.21602996 Db 1.33828732 0.27505455 1.62548296 105 17125.97207632 -15246.20484091 -3563.19671729 Db 0.05683864 1.41858480 1.67202480 105 -29193.84295328 9239.82767996 -11330.98138754 Db 2.66789859 -0.07797208 0.30834220 105 2895.99695352 -8953.43420432 -7576.03984967 Db 4.50598147 1.95535662 0.12955706 105 1268.49285584 -16680.53935464 -21255.62320895 Db 4.48215921 -0.07212530 1.45549542 105 1495.00718815 -905.26573167 172.99806964 Db 2.92997617 1.45413000 1.26333598 105 1402.69773273 4947.98113794 6827.55496925 Db 0.18954716 3.23485750 0.19524326 105 -32109.98359731 -36768.04786639 -42765.50514097 Db 1.25869454 4.51784852 0.14314285 105 22144.35356298 26357.84986024 -12780.55690850 Db 1.21603759 3.27794252 1.51003596 105 136202.48738297 -108169.21207395 21864.74264139 Db 0.11881683 4.23311452 1.51916365 105 -131597.44747899 119826.60335590 22266.09521247 Db 2.72582952 2.83513365 -0.08081591 105 -1462.43355706 3554.60763542 -3385.39213625 Db 4.24493292 4.46280702 0.07966958 105 75.62830401 1847.86314497 -1477.68428478 Db 4.67751526 3.00042102 1.42182730 105 6831.26438273 21792.06751838 9485.41860739 Db 3.06883296 4.18158613 2.05691944 105 -57191.49639533 -3530.21655298 -37238.88466251 Db 0.18977955 -0.20615811 2.87926607 105 -9919.10545768 -7741.69686723 6773.82569874 Db 1.27630335 1.74404247 2.82485818 105 24954.96911157 2112.85980151 -10913.60125306 Db 1.68954733 -0.07764931 4.20727878 105 -22298.39705079 -1694.32131332 26521.23576358 Db 0.23339819 1.37103615 4.06561418 105 -21201.78208244 -10303.00129562 22760.98836218 Db 2.85212104 -0.05619425 3.06128943 105 25345.76135269 -214.80866737 -23885.32203025 Db 4.39678610 1.83721235 2.70535988 105 3382.85742616 -11106.29417896 7421.09406763 Db 4.54156761 0.03878428 4.55884049 105 781.21734350 -715.36753789 345.30080903 Db 3.36111193 1.83992916 4.47624376 105 -41359.81753061 -66368.00170884 22793.31999516 Db -0.16050008 3.17104149 3.24663292 105 -33218.28794674 -12101.57778172 -34997.94821899 Db 1.05521295 4.63110886 3.03089874 105 8943.05917271 8924.58430128 2885.84494539 Db 1.16897018 2.96789578 4.18666998 105 32540.22951737 -1917.22246040 26347.72083885 Db -0.03724903 4.24488811 4.53699911 105 -7929.21612493 21440.42308546 23791.70566201 Db 2.76883402 2.70740436 3.18628986 105 -4317.50110254 15610.87311304 -18115.01485038 Db 4.39058303 4.38109193 2.84648314 105 58259.91307834 11072.16245289 35348.67235581 Db 4.42379650 2.96139861 4.47757764 105 51659.74482401 52321.50466164 2315.68148070 Db 2.93400225 4.46891618 4.54339520 105 -725.03100920 1357.41930713 935.93722688