{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.011513 0.380138 0.203276 ] [ 0.988487 0.880138 0.796724 ] [ 0.494064 0.685296 0.309238 ] [ 0.505936 0.185296 0.690762 ] [ 0.988143 0.626102 0.785131 ] [ 0.011857 0.126102 0.214869 ] [ 0.534819 0.451704 0.649758 ] [ 0.465181 0.951704 0.350242 ] [ 0.986882 0.681272 0.615199 ] [ 0.013118 0.181272 0.384801 ] [ 0.503319 0.328955 0.971306 ] [ 0.496681 0.828955 0.028694 ] [ 0.995445 0.584948 0.13216 ] [ 0.004555 0.084948 0.86784 ] [ 0.522873 0.400545 0.479958 ] [ 0.477127 0.900545 0.520042 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.05524883276 "source-unit" "angstrom" } "b" { "source-value" 9.7407848 "source-unit" "angstrom" } "c" { "source-value" 4.96295585516 "source-unit" "angstrom" } "beta" { "source-value" 91.1686324674 "source-unit" "degree" } }