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=-4.574357845546017 stress="-0.09413583621223492 0.07738883362712037 0.028393973480553936 0.07738883362712037 -0.07989582405127722 -0.013952510234003625 0.028393973480553936 -0.013952510234003625 -0.35963180433922687" free_energy=-4.574357845546017 pbc="F T T"
N        0.28475322      -0.01658535       0.10989136      -1.43637247       3.98534084       2.94272541
H        1.45587345       1.24267548       0.06729228       1.84372069      -1.53369351       2.25923264
O        1.32607419      -0.22671410       1.28266288       0.25344261      -0.60058918      -3.55992286
C        0.10537101       1.20641190       1.76767637      -0.66079083      -1.85105814      -1.64203520