32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=86146.48029275142 stress="-4.865875062777904 1.1196222604931692 -0.275021444562337 1.1196222604931692 -5.401655920232841 0.24293890475800195 -0.275021444562337 0.24293890475800195 -4.4505066016765795" free_energy=86146.48029275142 pbc="F F F" Db 20.80175105 21.42856178 20.76457386 -14015.38653077 -9418.01227865 -3397.17483774 Db 22.25356568 22.33018785 21.02612233 12738.59294651 11247.73283922 -1200.66447572 Db 22.42724114 20.89645494 22.72439253 -12781.08925951 -2622.71558343 -11676.73646684 Db 20.95091445 22.84723826 22.30931465 -2768.20890300 -10222.55258600 -10195.68429822 Db 23.48293375 20.94972329 20.80494453 4125.73711804 -4658.32113315 -1513.08886284 Db 25.60887651 22.32695699 20.75296361 863.20213647 1774.63804827 -2712.93262167 Db 25.41662686 20.95220441 22.16149337 12365.67212391 -20115.60372524 -4149.40862510 Db 24.50089686 22.29849142 22.60615983 -18655.65221530 15898.02642792 -5011.94898285 Db 20.77013727 24.20593168 20.76342286 -1128.59326371 248.65592090 -1327.94648531 Db 22.29766740 25.64680612 20.88794186 1939.14372285 833.38859988 -2029.04313977 Db 22.78957750 23.74401841 22.46729611 -3688.76089476 -2860.23221911 -2105.99971631 Db 21.26571411 25.74125079 22.59714191 -3450.41413868 1440.88567118 200.23529784 Db 24.20352072 24.18245557 21.22518008 -19610.91270263 -21406.98809720 -14003.57767795 Db 25.23522784 25.49820863 21.07878637 18357.03316811 20830.11025526 -9579.51113565 Db 25.28702833 24.11702456 22.64012596 95570.35740570 -102180.56607094 -18364.21739588 Db 24.38973905 25.30243574 22.69968748 -86246.91212324 137712.04663388 -56643.98823441 Db 20.77285273 21.06691512 24.14443371 -1791.44556538 -2370.29991403 -2471.42189050 Db 22.74716616 22.31914709 24.15669405 -20227.09033792 18867.96898263 -11141.60146636 Db 22.29792538 21.18682558 25.58743572 1023.28297872 -8424.82585349 5492.77397846 Db 20.90288111 22.46070631 25.51869755 -3799.70710493 5328.87641432 2459.17389294 Db 23.73082570 20.98532619 23.85221292 24290.21059393 -19870.06121301 7398.52353236 Db 25.50517233 22.46794092 24.05653910 7920.61648930 1172.90831844 8541.39736015 Db 25.14958965 20.97611921 25.40392721 1196.38303735 -2080.53983865 1950.77325143 Db 23.73636361 22.54617631 25.57264618 10574.61519911 2206.16315076 13504.13461489 Db 20.78676234 23.83180859 23.70180453 -2423.24079032 10504.72795980 15050.35227579 Db 22.77984205 25.20448914 23.72799984 -32172.84779216 44179.52480322 -23846.67761988 Db 22.76582977 24.17695962 25.00432044 -18853.78898954 -30366.60985924 29459.19989280 Db 20.82529500 25.73019772 25.57986391 -56.94007764 55.61687135 40.99050715 Db 24.09651585 24.25306385 23.81304911 -167.56724003 -64214.37696424 49500.69186718 Db 25.61603536 25.50950105 23.74813475 32428.51359327 15269.56657516 27111.94486312 Db 25.17091769 24.25315813 25.20025028 11331.00348187 -3830.56024634 12828.22304261 Db 23.77093398 25.52573037 25.41286023 7114.19393436 17071.42811053 7833.20955630