{ "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" [ [ 0.991196 0.030738 0.25 ] [ 0.491196 0.469262 0.75 ] [ 0.508804 0.530738 0.25 ] [ 0.008804 0.969262 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.048502 0.4926 0.25 ] [ 0.548502 0.0074 0.75 ] [ 0.451498 0.9926 0.25 ] [ 0.951498 0.5074 0.75 ] [ 0.713355 0.286146 0.024611 ] [ 0.213355 0.213854 0.975389 ] [ 0.786645 0.786146 0.475389 ] [ 0.286645 0.713854 0.524611 ] [ 0.286645 0.713854 0.975389 ] [ 0.786645 0.786146 0.024611 ] [ 0.213355 0.213854 0.524611 ] [ 0.713355 0.286146 0.475389 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mg" "Mg" "Mg" "Mg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.02293868 "source-unit" "angstrom" } "b" { "source-value" 7.08270941 "source-unit" "angstrom" } "c" { "source-value" 10.03841801 "source-unit" "angstrom" } }