4 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=56.03966225095219 stress="-66.89470872720158 0.21263080580804772 0.33032573218593697 0.21263080580804772 -60.11761201595459 0.19340504960749882 0.33032573218593697 0.19340504960749882 -63.76457276701368" pbc="F F F" Sr -0.14801295 -0.02432459 0.06329927 -25.61131378 -18.95712393 -23.63262482 Sr 1.43745442 1.27846858 -0.00548572 20.62517950 22.58198381 -20.93720010 Sr 1.34126820 -0.15859300 1.31668137 23.81849947 -25.16496275 20.99308524 Sr -0.08013605 1.24396547 1.59073906 -18.83236519 21.54010287 23.57673968