{ "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 0.794191 0.75 ] [ 0.5 0.917548 0.75 ] [ 0 0.205809 0.25 ] [ 0.5 0.082452 0.25 ] [ 0.5 0.294191 0.75 ] [ 0 0.417548 0.75 ] [ 0.5 0.705809 0.25 ] [ 0 0.582452 0.25 ] [ 0.180413 0.104038 0.75 ] [ 0.180413 0.895962 0.25 ] [ 0.819587 0.895962 0.25 ] [ 0.819587 0.104038 0.75 ] [ 0.680413 0.604038 0.75 ] [ 0.680413 0.395962 0.25 ] [ 0.319587 0.395962 0.25 ] [ 0.319587 0.604038 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "As" "As" "As" "As" "As" "As" "As" "As" "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" 6.80493635991 "source-unit" "angstrom" } "b" { "source-value" 14.7531470658 "source-unit" "angstrom" } "c" { "source-value" 6.41497895 "source-unit" "angstrom" } }