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=22.065720906346673 stress="-5.204465250367125 0.03230062921449056 -0.036565314854974676 0.03230062921449056 -4.585023481331116 -0.1851212263219458 -0.036565314854974676 -0.1851212263219458 -4.839232801283821" free_energy=22.065720906346673 pbc="T T T" Zr 0.01258782 0.29849013 2.80454100 1.76530707 -7.83210168 2.35884601 Zr 1.62365747 1.21406824 2.95297513 -3.44280310 8.55734323 2.50080812 Zr 1.34681875 2.86894099 1.54737131 5.24100079 1.45268201 -3.20617870 Zr 0.03238783 1.74404962 1.36810690 -3.56350477 -2.17792356 -1.65347543