{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Icma" } "basis-atom-coordinates" { "source-value" [ [ 0.239366 0.5 0.175925 ] [ 0.239366 0 0.824075 ] [ 0.760634 0 0.175925 ] [ 0.760634 0.5 0.824075 ] [ 0.739366 0 0.675925 ] [ 0.739366 0.5 0.324075 ] [ 0.260634 0.5 0.675925 ] [ 0.260634 0 0.324075 ] [ 0 0.25 0 ] [ 0 0.75 0 ] [ 0.5 0.75 0.5 ] [ 0.5 0.25 0.5 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.282488 0.5 0.898244 ] [ 0.717512 0.5 0.101756 ] [ 0.282488 0 0.101756 ] [ 0.717512 0 0.898244 ] [ 0.782488 0 0.398244 ] [ 0.217512 0 0.601756 ] [ 0.782488 0.5 0.601756 ] [ 0.217512 0.5 0.398244 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Na" "Na" "Na" "Na" "In" "In" "In" "In" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.82426472366 "source-unit" "angstrom" } "b" { "source-value" 6.86873887505 "source-unit" "angstrom" } "c" { "source-value" 15.4977931335 "source-unit" "angstrom" } }