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=72.44430285529333 stress="-2.3361668489649694 0.11792779543784812 0.19308778460859247 0.11792779543784812 -3.023125860940263 0.7853549051856448 0.19308778460859247 0.7853549051856448 -4.838330280800037" free_energy=72.44430285529333 pbc="F F T" In 0.05835534 0.20070203 2.70342959 -24.22210522 -26.52799985 7.84915480 In 1.40085166 1.49793547 0.28187239 23.19909866 30.39085173 -11.93658405 In 1.51001192 0.10170120 1.37793365 21.19729449 -29.29121215 7.31957314 In 0.00082602 1.74624097 1.64302402 -20.17428793 25.42836026 -3.23214389