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=-2.229842715382807 stress="-0.9417240252067711 0.06362839661721428 -0.012306097274267194 0.06362839661721428 -1.1878007117663776 -0.20204025116884758 -0.012306097274267194 -0.20204025116884758 -0.9558200887079942" free_energy=-2.229842715382807 pbc="F T F" Ni 0.06210000 0.13362859 0.07034430 -8.71821935 -4.38343037 -11.52816368 Ni 1.54852473 1.55473499 0.13661615 8.62542757 0.12481973 -9.68714778 Ni 1.40480033 -0.03668887 1.29869006 9.73516354 -1.62956016 10.58913644 Ni 0.11041876 1.26735611 1.33533445 -9.64237175 5.88817081 10.62617502