16 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=10118.444621321201 stress="-0.5929924856200285 -0.0732693984594963 0.037000549416044415 -0.0732693984594963 -0.6295766491263206 -0.027063336718429684 0.037000549416044415 -0.027063336718429684 -0.5102544197647833" pbc="F F F" Nd 20.91079987 20.89388029 21.16978517 -276.72497353 -358.70287898 -269.84863209 Nd 22.59442596 22.77482765 22.20489297 -3061.08674563 -8536.61177334 7739.33749501 Nd 23.97080631 21.14653326 21.08290038 1023.09962571 -1395.81689224 -978.64767243 Nd 25.62190232 22.98991183 22.62080061 1409.73662211 -2387.18737442 -739.97486477 Nd 20.87329112 23.87544471 21.28297923 -4853.58772826 1333.39902361 -2839.16642073 Nd 22.42032422 25.41386607 22.33915072 -2703.89095450 5448.51342440 2628.80955230 Nd 23.74423612 24.14407502 21.09100901 8742.16873872 4041.19257065 -9213.42421883 Nd 25.63866449 25.37149953 22.81860946 2360.52326161 3510.55653129 -1871.19261660 Nd 21.01039452 21.35123096 24.03837751 -683.84335348 -1192.74161212 -368.37074263 Nd 22.35402001 22.71597299 25.68121991 1282.45588567 -1295.61087675 2340.10761361 Nd 24.22492245 21.29462989 24.14949572 -1075.02016582 -1828.94750533 -1182.72224662 Nd 25.40445993 22.65364544 25.69388964 1279.16974220 714.74664860 1709.42318933 Nd 21.05186006 23.97540869 24.12803686 -4565.98114879 -1268.73134690 -3282.18279304 Nd 22.39276332 25.27191164 25.36201228 883.15573341 4842.39393757 4501.04493826 Nd 23.93340855 24.27122785 23.94690715 -938.44016097 -2759.71395367 141.49963694 Nd 25.56833995 25.31671722 25.39771040 1178.26562154 1133.26207764 1685.30778228