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=4281.675332534317 stress="-0.22305922618954363 -0.10168316722010802 -0.0801446446581021 -0.10168316722010802 -0.24883730209399207 -0.08377814999553135 -0.0801446446581021 -0.08377814999553135 -0.2722174367230742" pbc="F F F" Sm 20.90239656 20.82706604 20.82266557 -50.53301195 -44.02383403 -55.75490697 Sm 22.77764040 22.58226593 22.48627071 -1783.40463432 -1169.13498078 -958.28024634 Sm 24.00637909 21.08920280 21.09830243 335.20281865 -924.69279172 -1093.36043581 Sm 25.59003763 22.28910181 22.71267092 1374.26719610 614.38558182 -584.41156598 Sm 21.20788226 24.00921622 21.04267438 -1380.94248036 -1077.98156339 -1913.11371285 Sm 22.24428924 25.25541092 22.60161169 529.64766040 2606.64546648 345.33747920 Sm 24.27365781 24.11511245 21.15400721 -1603.68301401 -1739.41251827 -3070.66589388 Sm 25.42791332 25.33895127 22.52597947 2604.54059684 2649.12165143 1816.46025100 Sm 21.12137777 21.25308090 23.85173916 -464.95897210 -506.42986847 161.88658888 Sm 22.47055620 22.72541440 25.67891243 71.22911314 -224.87718057 594.34169198 Sm 24.08464614 20.82507226 23.82017602 -954.43670246 -1720.05582645 269.52586022 Sm 25.21800042 22.33334063 25.29274588 720.95617029 434.19251050 1121.46143948 Sm 20.82469785 23.99600325 24.14033502 -1505.52802160 -918.26484001 -218.42009200 Sm 22.15072490 25.61426996 25.23309711 571.19929229 1063.83576255 919.42826939 Sm 23.84840049 24.02169307 23.81319727 1368.97326032 794.95428131 2401.65379318 Sm 25.50891114 25.45626473 25.32395576 167.47072877 161.73814959 263.91148049