{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.48716 0.552402 0.350096 ] [ 0.98716 0.947598 0.649904 ] [ 0.51284 0.447598 0.649904 ] [ 0.01284 0.052402 0.350096 ] [ 0.51284 0.052402 0.149904 ] [ 0.98716 0.552402 0.149904 ] [ 0.48716 0.947598 0.850096 ] [ 0.01284 0.447598 0.850096 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.429756 0.522871 0.833204 ] [ 0.80141 0.799263 0.472419 ] [ 0.19859 0.299263 0.027581 ] [ 0.429756 0.977129 0.333204 ] [ 0.30141 0.700737 0.527581 ] [ 0.69859 0.200737 0.972419 ] [ 0.570244 0.022871 0.666796 ] [ 0.929756 0.522871 0.666796 ] [ 0.19859 0.200737 0.527581 ] [ 0.070244 0.022871 0.833204 ] [ 0.570244 0.477129 0.166796 ] [ 0.69859 0.299263 0.472419 ] [ 0.80141 0.700737 0.972419 ] [ 0.30141 0.799263 0.027581 ] [ 0.070244 0.477129 0.333204 ] [ 0.929756 0.977129 0.166796 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ru" "Ru" "Ru" "Ru" "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" 5.48059186 "source-unit" "angstrom" } "b" { "source-value" 5.5523979 "source-unit" "angstrom" } "c" { "source-value" 11.98113484 "source-unit" "angstrom" } }