{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.242271 0.450722 0.5 ] [ 0.757729 0.950722 0.5 ] [ 0.732118 0.037486 0 ] [ 0.267882 0.537486 0 ] [ 0.765383 0.488043 0.254053 ] [ 0.234617 0.988043 0.254053 ] [ 0.234617 0.988043 0.745947 ] [ 0.765383 0.488043 0.745947 ] [ 0.964302 0.216324 0.704033 ] [ 0.035698 0.716324 0.295967 ] [ 0.964302 0.216324 0.295967 ] [ 0.035698 0.716324 0.704033 ] [ 0.832045 0.481957 0 ] [ 0.53764 0.796118 0.201988 ] [ 0.346748 0.029065 0.5 ] [ 0.167955 0.981957 0 ] [ 0.653252 0.529065 0.5 ] [ 0.53764 0.796118 0.798012 ] [ 0.46236 0.296118 0.201988 ] [ 0.46236 0.296118 0.798012 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ta" "Ta" "Ta" "Ta" "N" "N" "N" "N" "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" 5.59674424 "source-unit" "angstrom" } "b" { "source-value" 5.71500845 "source-unit" "angstrom" } "c" { "source-value" 7.85787585 "source-unit" "angstrom" } }