{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.524258 0.25 0.168829 ] [ 0.024258 0.75 0.331171 ] [ 0.975742 0.25 0.668829 ] [ 0.475742 0.75 0.831171 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.528714 0.75 0.177782 ] [ 0.028714 0.25 0.322218 ] [ 0.971286 0.75 0.677782 ] [ 0.471286 0.25 0.822218 ] [ 0.66021 0.952937 0.117552 ] [ 0.66021 0.547063 0.117552 ] [ 0.222609 0.75 0.139753 ] [ 0.084714 0.25 0.156758 ] [ 0.584714 0.75 0.343242 ] [ 0.722609 0.25 0.360247 ] [ 0.16021 0.452937 0.382448 ] [ 0.16021 0.047063 0.382448 ] [ 0.83979 0.952937 0.617552 ] [ 0.83979 0.547063 0.617552 ] [ 0.277391 0.75 0.639753 ] [ 0.415286 0.25 0.656758 ] [ 0.915286 0.75 0.843242 ] [ 0.777391 0.25 0.860247 ] [ 0.33979 0.452937 0.882448 ] [ 0.33979 0.047063 0.882448 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.97094816 "source-unit" "angstrom" } "b" { "source-value" 6.3179251 "source-unit" "angstrom" } "c" { "source-value" 9.3961057 "source-unit" "angstrom" } }