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=-50.8450824724 stress="-0.25173420009335246 -0.04190623606313023 0.07357235818910644 -0.04190623606313023 -0.3630940005036438 -0.027789147560900684 0.07357235818910644 -0.027789147560900684 -0.25518973698622555" pbc="F F F" Mo -0.03487808 0.22586561 0.29391194 -0.44664881 0.05263067 -0.65135424 Mo 1.22614529 1.59431082 1.27761356 -0.38637355 -3.12189120 -3.28442508 U 3.18220204 -0.10637159 0.23573857 -3.62333022 -4.62766624 -2.38915713 Mo 4.52724172 1.27538150 1.20296332 5.00058351 2.79489466 4.12736158 Mo -0.15112699 3.42073015 -0.21015034 1.60468521 -1.10419204 1.60962536 U 1.61696630 4.42299150 1.40698366 -0.29918869 6.52107791 -3.94902728 Mo 3.05532969 2.82825321 0.13102478 1.28259981 1.78391670 -3.74692186 U 4.75715656 4.52685602 1.51193751 0.26344823 -0.20787380 0.69352469 U 0.13734349 -0.03568003 3.34164955 0.36291939 -1.00581577 -0.31976250 Mo 1.55509833 1.70379337 4.73854596 -0.94459242 -4.78523355 4.35896461 U 2.76922180 -0.21770305 3.02031036 1.13047267 -1.57511655 1.47366212 Mo 4.68745344 1.38081419 4.37970777 -2.73036635 0.82184970 -2.13520358 Mo 0.27711528 3.04960729 2.75213077 -10.08288736 -0.41119058 1.23242795 U 1.23125112 4.21824351 4.63616082 -1.66602233 6.03505632 5.71023790 U 2.76429260 3.09979342 3.21980528 10.10458669 -0.92343823 -1.91360334 U 4.50197973 4.40299691 4.45460942 0.43011422 -0.24700799 -0.81634920