{ "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 0.528174 0.182434 ] [ 0.25 0.028174 0.317566 ] [ 0.75 0.971826 0.682434 ] [ 0.75 0.471826 0.817566 ] [ 0.25 0.146295 0.932863 ] [ 0.75 0.353705 0.432863 ] [ 0.25 0.646295 0.567137 ] [ 0.75 0.853705 0.067137 ] [ 0.25 0.785333 0.889243 ] [ 0.25 0.285333 0.610757 ] [ 0.75 0.714667 0.389243 ] [ 0.75 0.214667 0.110757 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Al" "Al" "Al" "Al" "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" 4.52069944 "source-unit" "angstrom" } "b" { "source-value" 7.22506557 "source-unit" "angstrom" } "c" { "source-value" 7.90113023 "source-unit" "angstrom" } }