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=9.122484943415252 stress="-73.40442402383378 7.53443414890457 -3.684970523236835 7.53443414890457 -77.43226220595129 0.8424620331082338 -3.684970523236835 0.8424620331082338 -75.19191448553065" pbc="F F F" Zr -0.12320595 -0.04105180 0.20259391 -28.42597080 -20.87345368 -18.59978309 Zr 1.56504129 1.20865944 -0.13449789 21.66696311 16.66386869 -26.44656851 Zr 1.28802619 0.22277084 1.68584377 31.46631639 -33.46511440 31.24920488 Zr 0.18362810 1.69581920 1.64685009 -24.70730869 37.67469939 13.79714672