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=9.44447385270734 stress="-1.5966968468203178 0.34637757247969403 -0.43543335281225065 0.34637757247969403 -1.4981502300441538 -0.20659429011198438 -0.43543335281225065 -0.20659429011198438 -1.415314297126043" free_energy=9.44447385270734 pbc="T T F" Ne 0.18584377 0.18362810 0.19581920 -13.77467375 -4.11393826 -20.88729870 Ne 1.56537167 1.72748741 0.17626233 4.94167755 -0.50763520 -8.76442529 Ne 1.35402479 0.20996341 1.49207130 20.58996410 -7.69043768 18.17229698 Ne 0.15300231 1.53848316 1.45774659 -11.75696790 12.31201113 11.47942701