{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.786841 0.5 ] [ 0 0.213159 0 ] [ 0.5 0.286841 0.5 ] [ 0.5 0.713159 0 ] [ 0.348014 0 0.75 ] [ 0.651986 0 0.25 ] [ 0.848014 0.5 0.75 ] [ 0.151986 0.5 0.25 ] [ 0.226166 0.120505 0.605688 ] [ 0 0.582031 0 ] [ 0.773834 0.879495 0.105688 ] [ 0.773834 0.120505 0.394312 ] [ 0 0.417969 0.5 ] [ 0.226166 0.879495 0.894312 ] [ 0.726166 0.620505 0.605688 ] [ 0.5 0.082031 0 ] [ 0.273834 0.379495 0.105688 ] [ 0.273834 0.620505 0.394312 ] [ 0.5 0.917969 0.5 ] [ 0.726166 0.379495 0.894312 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "C" "C" "C" "C" "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" 5.82422921986 "source-unit" "angstrom" } "b" { "source-value" 8.51362256605 "source-unit" "angstrom" } "c" { "source-value" 3.6694275 "source-unit" "angstrom" } }