{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.514619 0.556068 0.25 ] [ 0.014619 0.943932 0.75 ] [ 0.985381 0.056068 0.25 ] [ 0.485381 0.443932 0.75 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.196586 0.201751 0.946622 ] [ 0.696586 0.298249 0.053378 ] [ 0.303414 0.701751 0.553378 ] [ 0.803414 0.798249 0.446622 ] [ 0.803414 0.798249 0.053378 ] [ 0.303414 0.701751 0.946622 ] [ 0.696586 0.298249 0.446622 ] [ 0.196586 0.201751 0.553378 ] [ 0.103242 0.465406 0.25 ] [ 0.603242 0.034594 0.75 ] [ 0.396758 0.965406 0.25 ] [ 0.896758 0.534594 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" "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" 4.83090708 "source-unit" "angstrom" } "b" { "source-value" 4.98102585 "source-unit" "angstrom" } "c" { "source-value" 6.97886783 "source-unit" "angstrom" } }