612 Lattice="25.7534775298907 0.0 0.0 12.87673876494535 22.30316577667706 0.0 0.0 0.0 119.15654931754369" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1002.4724312982311 stress="-0.0005576256145634662 -2.1967161122306353e-07 -2.6618399793433336e-07 -2.1967161122306353e-07 -0.0005560021477245526 -9.828274077906914e-07 -2.6618399793433336e-07 -9.828274077906914e-07 -6.421290279811056e-10" free_energy=-1002.4724312982311 pbc="T T F" Sr 0.00442220 0.00568642 29.50771241 -0.00000269 -0.00000926 0.00000003 Sr 6.44279156 3.72288095 29.50771040 -0.00000256 -0.00000936 0.00000016 Sr 4.29666850 0.00568615 29.50771116 -0.00000257 -0.00000920 0.00000008 Sr 2.15054524 3.72288073 29.50771139 -0.00000260 -0.00000923 0.00000020 Sr 17.17337886 19.83061913 33.23685342 -0.00000206 -0.00000884 0.00000004 Sr 10.73500962 1.24464748 33.23685075 -0.00000247 -0.00000839 0.00000033 Sr 21.46562541 19.83061910 33.23685134 -0.00000273 -0.00000875 0.00000027 Sr 6.44276333 1.24464757 33.23685151 -0.00000233 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12.88109452 2.48357177 36.78867840 -0.00000288 -0.00000774 0.00000015 Sr 19.31946340 6.20076688 36.78868126 -0.00000210 -0.00000878 -0.00000028 Sr 17.17334026 2.48357207 36.78867956 -0.00000160 -0.00000795 -0.00000009 Sr 15.02721729 6.20076642 36.78868075 -0.00000231 -0.00000796 0.00000032 Sr 17.17328858 0.00525398 40.30390984 -0.00000092 -0.00000774 0.00000012 Sr 23.61165818 3.72244830 40.30391064 -0.00000208 -0.00000635 0.00000021 Sr 21.46553512 0.00525426 40.30391074 -0.00000308 -0.00000765 0.00000011 Sr 19.31941172 3.72244828 40.30391083 -0.00000183 -0.00000749 -0.00000060 Sr 34.34220900 19.83005314 43.81088174 -0.00000315 -0.00000543 -0.00000029 Sr 2.15036192 1.24408205 43.81088059 -0.00000155 -0.00000745 -0.00000046 Sr 12.88097707 19.83005324 43.81088152 -0.00000005 -0.00000557 -0.00000028 Sr 23.61159315 1.24408170 43.81088112 -0.00000171 -0.00000576 0.00000065 Sr 12.88090040 17.35164505 47.31601642 0.00000069 -0.00000536 0.00000016 Sr 19.31927028 21.06883901 47.31601460 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