{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.75 0.722773 ] [ 0.5 0.75 0.1755 ] [ 0 0.25 0.277227 ] [ 0.5 0.25 0.8245 ] ] } "species" { "source-value" [ "Mg" "Mg" "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" 3.65893437 "source-unit" "angstrom" } "b" { "source-value" 6.31373752 "source-unit" "angstrom" } "c" { "source-value" 6.40031922 "source-unit" "angstrom" } }