{ "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" [ [ 0.5 0.063976 0.322958 ] [ 0.5 0.936024 0.677042 ] [ 0.5 0.436024 0.822958 ] [ 0.5 0.563976 0.177042 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.152158 0.794232 ] [ 0 0.847842 0.205768 ] [ 0 0.652158 0.705768 ] [ 0 0.347842 0.294232 ] [ 0.5 0.263479 0.543916 ] [ 0.5 0.736521 0.456084 ] [ 0.5 0.236521 0.043916 ] [ 0.5 0.763479 0.956084 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Pr" "Pr" "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" 3.73471959 "source-unit" "angstrom" } "b" { "source-value" 6.28152571 "source-unit" "angstrom" } "c" { "source-value" 10.38793654 "source-unit" "angstrom" } }