{ "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 0.087281 0.682007 ] [ 0.5 0.912719 0.317993 ] [ 0.5 0.412719 0.182007 ] [ 0.5 0.587281 0.817993 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.118884 0.195381 ] [ 0 0.881116 0.804619 ] [ 0 0.618884 0.304619 ] [ 0 0.381116 0.695381 ] [ 0.5 0.235255 0.957067 ] [ 0.5 0.764745 0.042933 ] [ 0.5 0.735255 0.542933 ] [ 0.5 0.264745 0.457067 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mg" "Mg" "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" 3.84902391 "source-unit" "angstrom" } "b" { "source-value" 6.9818915 "source-unit" "angstrom" } "c" { "source-value" 12.00174252 "source-unit" "angstrom" } }