16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2746.275653949867 stress="-11487.359095197513 1926.5567008384096 3790.4279681088574 1926.5567008384096 -13503.922233613774 -3962.395921129782 3790.4279681088574 -3962.395921129782 -13220.48670255371" pbc="F F F" Mc -0.04675292 0.10543560 -0.06801162 -30.14277110 -32.25927069 -42.88100694 Mc 1.25383389 1.64977965 1.71866194 4200.84583734 -2720.24310267 -4710.43517856 Mc 2.97297124 0.20357071 -0.10682000 -108.89763537 -142.87204291 -143.47086331 Mc 4.27437983 1.64591028 1.36610343 231.19744722 2.98084089 124.16369591 Mc 0.09979539 3.13570982 0.00568272 -147.45830342 55.58114735 -140.19037944 Mc 1.82820569 4.20214762 1.78213958 -963.37936644 1580.90538184 612.25011323 Mc 2.75187785 3.28901849 0.11714183 354.17265418 -858.98388667 -1652.44072448 Mc 4.46784117 4.31040986 1.25284554 448.10731380 293.63967575 249.56146369 Mc 0.29684714 0.14970476 2.84281065 -838.38101389 -1438.67098721 839.70591783 Mc 1.17729494 1.78780377 4.51497405 -313.05891023 -691.30525533 1338.07330262 Mc 3.50225846 -0.12805427 3.37878774 -714.29515715 -1531.36876978 -867.39806680 Mc 4.28720896 1.54464591 4.36172195 988.63828553 1306.40955460 1093.03605397 Mc 0.09501661 2.73350472 2.78891845 -4363.45407122 3802.08108296 2989.60421268 Mc 1.62613575 4.44072495 4.42042633 -204.40210019 321.09499610 253.33928748 Mc 2.63476280 2.70317956 3.17031618 1378.03366708 33.75900800 46.38862637 Mc 4.24794151 4.59305252 4.57343606 82.47412385 19.25162777 10.69354575