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=2746.2756539498664 stress="-0.155050198347877 0.026003626779484163 0.05116115927152642 0.026003626779484163 -0.18226868364126106 -0.053482290264681945 0.05116115927152642 -0.053482290264681945 -0.17844302319611383" pbc="F F F" Mc 20.95324708 21.10543560 20.93198838 -30.14277110 -32.25927069 -42.88100694 Mc 22.25383389 22.64977965 22.71866194 4200.84583734 -2720.24310267 -4710.43517856 Mc 23.97297124 21.20357071 20.89318000 -108.89763537 -142.87204291 -143.47086331 Mc 25.27437983 22.64591028 22.36610343 231.19744722 2.98084089 124.16369591 Mc 21.09979539 24.13570982 21.00568272 -147.45830342 55.58114735 -140.19037944 Mc 22.82820569 25.20214762 22.78213958 -963.37936644 1580.90538184 612.25011323 Mc 23.75187785 24.28901849 21.11714183 354.17265418 -858.98388667 -1652.44072448 Mc 25.46784117 25.31040986 22.25284554 448.10731380 293.63967575 249.56146369 Mc 21.29684714 21.14970476 23.84281065 -838.38101389 -1438.67098721 839.70591783 Mc 22.17729494 22.78780377 25.51497405 -313.05891023 -691.30525533 1338.07330262 Mc 24.50225846 20.87194573 24.37878774 -714.29515715 -1531.36876978 -867.39806680 Mc 25.28720896 22.54464591 25.36172195 988.63828553 1306.40955460 1093.03605397 Mc 21.09501661 23.73350472 23.78891845 -4363.45407122 3802.08108296 2989.60421268 Mc 22.62613575 25.44072495 25.42042633 -204.40210019 321.09499610 253.33928748 Mc 23.63476280 23.70317956 24.17031618 1378.03366708 33.75900800 46.38862637 Mc 25.24794151 25.59305252 25.57343606 82.47412385 19.25162777 10.69354575