{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.858305 0.118379 ] [ 0.25 0.358305 0.381621 ] [ 0.75 0.141695 0.881621 ] [ 0.75 0.641695 0.618379 ] [ 0.75 0.974434 0.683092 ] [ 0.25 0.525566 0.183092 ] [ 0.25 0.025566 0.316908 ] [ 0.75 0.474434 0.816908 ] [ 0.75 0.857155 0.035613 ] [ 0.25 0.142845 0.964387 ] [ 0.75 0.357155 0.464387 ] [ 0.25 0.642845 0.535613 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13789841 "source-unit" "angstrom" } "b" { "source-value" 7.64764995 "source-unit" "angstrom" } "c" { "source-value" 11.49652957 "source-unit" "angstrom" } }