16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.6971493830501694 stress="-0.010027707515524138 0.00490957988848042 -0.0031571244404435114 0.00490957988848042 -0.00815791534998009 -0.0012563643978559004 -0.0031571244404435114 -0.0012563643978559004 -0.008780107167549045" pbc="F F F" Ds 21.13412177 20.74120247 21.22771620 3.74181033 3.31123524 4.63916322 Ds 22.57351499 22.24020227 22.77574956 -249.33678744 215.16833212 -304.21490373 Ds 24.21189131 21.26309042 21.05747678 -3.12251675 4.70277164 5.60961034 Ds 25.64738720 22.68163602 22.70969760 141.16468749 -114.34153457 -111.99205748 Ds 21.21559844 24.31618204 21.20121421 -71.97619315 -65.45355942 -57.92915959 Ds 22.61958412 25.45189235 22.28666719 29.53094965 115.14997201 106.98609399 Ds 23.85623082 24.02809052 21.27074656 47.88918975 -65.10759953 -39.37898004 Ds 25.26594320 25.56727604 22.71137839 7.21244883 14.94375391 -11.23452745 Ds 21.08565909 20.85379069 24.10439534 -35.85272592 -42.24649562 -40.37057133 Ds 22.20194190 22.20309507 25.39705468 22.55661028 56.61217765 51.43656197 Ds 23.73106109 21.26285816 23.95438296 288.01195124 -243.81874244 259.05282883 Ds 25.55350316 22.22869681 25.26475400 2.79471516 3.78122707 2.53403928 Ds 21.20185423 23.78340853 23.65999312 -37.90337360 -2.15299094 -13.12964036 Ds 22.17591695 25.10999639 25.17268369 24.03494994 20.21475124 23.31939713 Ds 24.28385989 23.75182101 23.74475575 -167.94554036 100.62548473 122.55079315 Ds 25.44799053 25.36649902 25.21877763 -0.80017545 -1.38878307 2.12135207