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=53.29416168675434 stress="-4.7821958852426105 0.39001783103336857 -0.07916217382615542 0.39001783103336857 -2.9573578408089674 0.040759947717633235 -0.07916217382615542 0.040759947717633235 -2.5198843689948007" pbc="T F F" P 0.04396501 0.07236142 0.20379337 -2.05099132 -31.98382753 -26.86905171 P 1.73854596 1.26922180 0.02031036 1.00896490 25.00250095 -29.36114891 P 1.41870456 0.02015752 1.37970777 9.64210905 -30.03495992 29.01293707 P 0.41327610 1.37871118 1.25213077 -8.60008262 37.01628650 27.21726355