{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.067235 0.75 ] [ 0 0.932765 0.25 ] [ 0.5 0.567235 0.75 ] [ 0.5 0.432765 0.25 ] [ 0.5 0.856046 0.948545 ] [ 0.5 0.856046 0.551455 ] [ 0.5 0.143954 0.051455 ] [ 0.5 0.143954 0.448545 ] [ 0 0.356046 0.948545 ] [ 0 0.356046 0.551455 ] [ 0 0.643954 0.051455 ] [ 0 0.643954 0.448545 ] [ 0 0.782656 0.75 ] [ 0 0.217344 0.25 ] [ 0.5 0.282656 0.75 ] [ 0.5 0.717344 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "In" "In" "In" "In" "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" 4.45175224 "source-unit" "angstrom" } "b" { "source-value" 10.53232564 "source-unit" "angstrom" } "c" { "source-value" 7.95823033 "source-unit" "angstrom" } }