16 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=324.197121216 stress="-32.89033907005024 3.8930010551356267 2.909195118485403 3.8930010551356267 -38.809464096947785 -4.465476174503554 2.909195118485403 -4.465476174503554 -41.12046456919379" pbc="F F F" O 0.00779751 -0.20494074 0.18365717 -17.41098511 -24.19645739 -56.28554077 O 0.95288723 0.81796670 0.54585403 -147.70897890 13.86711491 25.59850119 O 1.44809454 0.22094491 0.23171545 108.14247888 -165.26305986 -114.09210618 O 2.43190327 0.67353618 0.96219253 60.99434007 -10.54469786 -18.43438602 O -0.07514625 1.50784030 -0.21779550 -30.48890221 13.75528498 -30.07153734 O 1.03278197 2.31210000 0.88362859 -82.06705480 179.70895754 -47.17535292 O 1.32702941 1.57034430 0.04852473 42.91874913 63.32233583 -145.66198005 O 2.30473499 2.16561068 0.60566001 66.10623821 36.45497153 -12.75381709 O -0.09519967 -0.12280496 1.29869006 -40.64015642 -31.99536313 43.26483618 O 0.86041876 0.51735611 2.08533445 -108.17855544 81.53172782 183.79842435 O 1.24148635 0.08611608 1.53369179 92.37568151 -160.96846741 -93.80358997 O 2.27598936 0.47412251 2.21375436 39.31808326 -8.74949389 49.84530270 O -0.09416457 1.25559716 1.20178472 -53.08534677 23.67183818 20.36304278 O 1.04874826 2.02290972 2.13090187 -54.83263219 51.42599163 97.03926909 O 1.36136659 1.55835534 1.24645637 83.48906417 -76.35497351 74.19209903 O 2.23193431 2.02500758 2.45070203 41.06797662 14.33429065 24.17683503