{ "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" [ [ 0.011949 0.952252 0.75 ] [ 0.511949 0.547748 0.25 ] [ 0.488051 0.452252 0.75 ] [ 0.988051 0.047748 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.702404 0.2951 0.451746 ] [ 0.202404 0.2049 0.548254 ] [ 0.797596 0.7951 0.048254 ] [ 0.297596 0.7049 0.951746 ] [ 0.297596 0.7049 0.548254 ] [ 0.797596 0.7951 0.451746 ] [ 0.202404 0.2049 0.951746 ] [ 0.702404 0.2951 0.048254 ] [ 0.092233 0.469943 0.25 ] [ 0.592233 0.030057 0.75 ] [ 0.407767 0.969943 0.25 ] [ 0.907767 0.530057 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mg" "Mg" "Mg" "Mg" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.42465716 "source-unit" "angstrom" } "b" { "source-value" 5.5737331 "source-unit" "angstrom" } "c" { "source-value" 7.76809678 "source-unit" "angstrom" } }