{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.222416 0.608707 ] [ 0 0.777584 0.391293 ] [ 0 0.777584 0.108707 ] [ 0 0.222416 0.891293 ] [ 0.5 0.722416 0.608707 ] [ 0.5 0.277584 0.391293 ] [ 0.5 0.277584 0.108707 ] [ 0.5 0.722416 0.891293 ] [ 0.5 0.799834 0.25 ] [ 0.5 0.200166 0.75 ] [ 0 0.299834 0.25 ] [ 0 0.700166 0.75 ] [ 0.5 0.188117 0.25 ] [ 0.5 0.811883 0.75 ] [ 0 0.156732 0.44984 ] [ 0 0.843268 0.55016 ] [ 0 0.843268 0.94984 ] [ 0 0.156732 0.05016 ] [ 0.5 0.094784 0.864508 ] [ 0.5 0.905216 0.135492 ] [ 0.5 0.905216 0.364508 ] [ 0.5 0.094784 0.635492 ] [ 0 0.688117 0.25 ] [ 0 0.311883 0.75 ] [ 0.5 0.656732 0.44984 ] [ 0.5 0.343268 0.55016 ] [ 0.5 0.343268 0.94984 ] [ 0.5 0.656732 0.05016 ] [ 0 0.594784 0.864508 ] [ 0 0.405216 0.135492 ] [ 0 0.405216 0.364508 ] [ 0 0.594784 0.635492 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.42997158 "source-unit" "angstrom" } "b" { "source-value" 13.19962994 "source-unit" "angstrom" } "c" { "source-value" 15.21199694 "source-unit" "angstrom" } }