{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.001808 0.75 0.734826 ] [ 0.501808 0.25 0.765174 ] [ 0.998192 0.25 0.265174 ] [ 0.498192 0.75 0.234826 ] [ 0.590736 0.75 0.915217 ] [ 0.090736 0.25 0.584783 ] [ 0.409264 0.25 0.084783 ] [ 0.909264 0.75 0.415217 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.21292 0.75 0.915735 ] [ 0.71292 0.25 0.584265 ] [ 0.78708 0.25 0.084265 ] [ 0.28708 0.75 0.415735 ] [ 0.728406 0.75 0.573869 ] [ 0.228406 0.25 0.926131 ] [ 0.271594 0.25 0.426131 ] [ 0.771594 0.75 0.073869 ] [ 0.761176 0.995157 0.842085 ] [ 0.261176 0.004843 0.657915 ] [ 0.238824 0.495157 0.157915 ] [ 0.738824 0.504843 0.342085 ] [ 0.238824 0.004843 0.157915 ] [ 0.738824 0.995157 0.342085 ] [ 0.761176 0.504843 0.842085 ] [ 0.261176 0.495157 0.657915 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.95195658 "source-unit" "angstrom" } "b" { "source-value" 7.27308155 "source-unit" "angstrom" } "c" { "source-value" 12.64464102 "source-unit" "angstrom" } }