{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.019581 0.820016 ] [ 0.75 0.980419 0.179984 ] [ 0.25 0.519581 0.679984 ] [ 0.75 0.480419 0.320016 ] [ 0.75 0.8565 0.56309 ] [ 0.25 0.6435 0.06309 ] [ 0.75 0.3565 0.93691 ] [ 0.25 0.1435 0.43691 ] [ 0.25 0.269916 0.115851 ] [ 0.75 0.230084 0.615851 ] [ 0.25 0.769916 0.384149 ] [ 0.75 0.730084 0.884149 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.42821225 "source-unit" "angstrom" } "b" { "source-value" 7.47838296 "source-unit" "angstrom" } "c" { "source-value" 8.32176288 "source-unit" "angstrom" } }