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=15.9053112218 stress="-6.229684390859729 -2.2511394254489554 0.3975244628887086 -2.2511394254489554 -16.684679675990235 -15.562681090787821 0.3975244628887086 -15.562681090787821 -20.981877334213415" pbc="F F F" P -0.17141964 0.14720807 0.08942344 -12.80401290 -72.17066179 -78.47985885 P 1.45706424 1.77559981 -0.03127040 13.40117556 11.84605204 -1.19291026 In 1.57181068 -0.14912525 1.55004192 6.58379470 -3.47321965 0.71142398 In -0.18953994 1.23214964 1.50041025 -7.18095736 63.79782940 78.96134513