{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.170265 ] [ 0 0.25 0.329735 ] [ 0.5 0.25 0.829735 ] [ 0 0.75 0.670265 ] [ 0.727306 0.420474 0.108694 ] [ 0.227306 0.579526 0.391306 ] [ 0.772694 0.920474 0.391306 ] [ 0.272694 0.079526 0.108694 ] [ 0.727306 0.920474 0.891306 ] [ 0.227306 0.079526 0.608694 ] [ 0.772694 0.420474 0.608694 ] [ 0.272694 0.579526 0.891306 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.51143332 "source-unit" "angstrom" } "b" { "source-value" 4.92307826 "source-unit" "angstrom" } "c" { "source-value" 5.42824526 "source-unit" "angstrom" } }