{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.99956 ] [ 0.5 0.5 0.24956 ] [ 0 0.5 0.165836 ] [ 0 0 0.915836 ] [ 0 0.5 0.833047 ] [ 0.5 0.5 0.083047 ] [ 0.5 0 0.49956 ] [ 0 0 0.74956 ] [ 0.5 0 0.665836 ] [ 0.5 0.5 0.415836 ] [ 0.5 0 0.333047 ] [ 0 0 0.583047 ] [ 0.5 0 0.193672 ] [ 0.5 0.5 0.77714 ] [ 0.5 0 0.02714 ] [ 0.5 0.5 0.943672 ] [ 0 0 0.10999 ] [ 0.5 0 0.85999 ] [ 0 0.5 0.693672 ] [ 0 0 0.27714 ] [ 0 0.5 0.52714 ] [ 0 0 0.443672 ] [ 0.5 0.5 0.60999 ] [ 0 0.5 0.35999 ] [ 0.5 0.5 0.888205 ] [ 0.5 0 0.138205 ] [ 0.5 0 0.972045 ] [ 0 0 0.054505 ] [ 0.5 0 0.804505 ] [ 0 0 0.222045 ] [ 0 0 0.388205 ] [ 0 0.5 0.638205 ] [ 0 0.5 0.472045 ] [ 0.5 0.5 0.554505 ] [ 0 0.5 0.304505 ] [ 0.5 0.5 0.722045 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22848830388 "source-unit" "angstrom" } "c" { "source-value" 44.3563556923 "source-unit" "angstrom" } }