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:forces:R:3 energy=86146.48029275163 stress="-360502.95165109076 82950.57403541857 -20375.788784734526 82950.57403541857 -400197.8838182122 17998.857575710746 -20375.788784734526 17998.857575710746 -329729.1331050152" pbc="F F F" Db -0.19824895 0.42856178 -0.23542614 -14015.38653077 -9418.01227865 -3397.17483774 Db 1.25356568 1.33018785 0.02612233 12738.59294651 11247.73283922 -1200.66447572 Db 1.42724114 -0.10354506 1.72439253 -12781.08925951 -2622.71558343 -11676.73646684 Db -0.04908555 1.84723826 1.30931465 -2768.20890300 -10222.55258600 -10195.68429821 Db 2.48293375 -0.05027671 -0.19505547 4125.73711804 -4658.32113315 -1513.08886284 Db 4.60887651 1.32695699 -0.24703639 863.20213647 1774.63804827 -2712.93262167 Db 4.41662686 -0.04779559 1.16149337 12365.67212391 -20115.60372524 -4149.40862510 Db 3.50089686 1.29849142 1.60615983 -18655.65221530 15898.02642792 -5011.94898285 Db -0.22986273 3.20593168 -0.23657714 -1128.59326371 248.65592090 -1327.94648531 Db 1.29766740 4.64680612 -0.11205814 1939.14372285 833.38859988 -2029.04313977 Db 1.78957750 2.74401841 1.46729611 -3688.76089476 -2860.23221911 -2105.99971631 Db 0.26571411 4.74125079 1.59714191 -3450.41413868 1440.88567118 200.23529784 Db 3.20352072 3.18245557 0.22518008 -19610.91270263 -21406.98809720 -14003.57767795 Db 4.23522784 4.49820863 0.07878637 18357.03316811 20830.11025526 -9579.51113565 Db 4.28702833 3.11702456 1.64012596 95570.35740570 -102180.56607094 -18364.21739588 Db 3.38973905 4.30243574 1.69968748 -86246.91212324 137712.04663388 -56643.98823441 Db -0.22714727 0.06691512 3.14443371 -1791.44556538 -2370.29991403 -2471.42189050 Db 1.74716616 1.31914709 3.15669405 -20227.09033792 18867.96898263 -11141.60146636 Db 1.29792538 0.18682558 4.58743572 1023.28297872 -8424.82585349 5492.77397846 Db -0.09711889 1.46070631 4.51869755 -3799.70710493 5328.87641432 2459.17389294 Db 2.73082570 -0.01467381 2.85221292 24290.21059393 -19870.06121301 7398.52353236 Db 4.50517233 1.46794092 3.05653910 7920.61648930 1172.90831844 8541.39736015 Db 4.14958965 -0.02388079 4.40392721 1196.38303735 -2080.53983865 1950.77325143 Db 2.73636361 1.54617631 4.57264618 10574.61519911 2206.16315076 13504.13461489 Db -0.21323766 2.83180859 2.70180453 -2423.24079032 10504.72795980 15050.35227579 Db 1.77984205 4.20448914 2.72799984 -32172.84779216 44179.52480322 -23846.67761988 Db 1.76582977 3.17695962 4.00432044 -18853.78898954 -30366.60985924 29459.19989280 Db -0.17470500 4.73019772 4.57986391 -56.94007764 55.61687135 40.99050715 Db 3.09651585 3.25306385 2.81304911 -167.56724003 -64214.37696424 49500.69186718 Db 4.61603536 4.50950105 2.74813475 32428.51359327 15269.56657516 27111.94486312 Db 4.17091769 3.25315813 4.20025028 11331.00348187 -3830.56024634 12828.22304261 Db 2.77093398 4.52573037 4.41286023 7114.19393436 17071.42811053 7833.20955630