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=147.23382638646646 stress="-8.796324728469964 -0.34060651216049187 -0.07125956200009417 -0.34060651216049187 -8.496329151019077 0.5147068823815111 -0.07125956200009417 0.5147068823815111 -4.828367411551234" free_energy=147.23382638646646 pbc="T T F"
Sr       0.06504129      -0.29134056       0.22277084       9.72889601      19.97839200     -46.53424803
Sr       1.68584377       1.68362810       0.19581920     -12.51443407      -9.83381367     -48.59097938
Sr       1.64685009       0.42259636       1.67626233     -10.58119365      -6.97973843      45.13693687
Sr      -0.14597521       1.70996341       1.49207130      13.36673171      -3.16483990      49.98829053