{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.749052 0.5 0.5 ] [ 0.250948 0 0 ] [ 0.250948 0.5 0.5 ] [ 0.749052 0 0 ] [ 0.5 0.141738 0.656115 ] [ 0.5 0.858262 0.343885 ] [ 0.5 0.641738 0.843885 ] [ 0.5 0.358262 0.156115 ] [ 0 0.60942 0.174861 ] [ 0 0.39058 0.825139 ] [ 0 0.10942 0.325139 ] [ 0 0.89058 0.674861 ] [ 0 0.606532 0.603896 ] [ 0 0.393468 0.396104 ] [ 0 0.106532 0.896104 ] [ 0 0.893468 0.103896 ] [ 0.5 0.625337 0.587988 ] [ 0.5 0.374663 0.412012 ] [ 0.5 0.125337 0.912012 ] [ 0.5 0.874663 0.087988 ] [ 0.749506 0.333411 0.666158 ] [ 0.749506 0.666589 0.333842 ] [ 0.250494 0.833411 0.833842 ] [ 0.250494 0.166589 0.166158 ] [ 0.749506 0.833411 0.833842 ] [ 0.749506 0.166589 0.166158 ] [ 0.250494 0.333411 0.666158 ] [ 0.250494 0.666589 0.333842 ] ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "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" 6.44477391 "source-unit" "angstrom" } "b" { "source-value" 8.09114143 "source-unit" "angstrom" } "c" { "source-value" 9.2347923 "source-unit" "angstrom" } }