{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.681234 ] [ 0.5 0.75 0.818766 ] [ 0 0.75 0.318766 ] [ 0.5 0.25 0.181234 ] [ 0 0.25 0.928132 ] [ 0.5 0.25 0.428132 ] [ 0 0.75 0.071868 ] [ 0.5 0.75 0.571868 ] [ 0.264705 0.599571 0.680881 ] [ 0.771413 0.426749 0.04901 ] [ 0.271413 0.573251 0.45099 ] [ 0.728587 0.926749 0.45099 ] [ 0.764705 0.400429 0.819119 ] [ 0.235295 0.599571 0.180881 ] [ 0.735295 0.900429 0.680881 ] [ 0.235295 0.099571 0.819119 ] [ 0.264705 0.099571 0.319119 ] [ 0.735295 0.400429 0.319119 ] [ 0.228587 0.573251 0.95099 ] [ 0.764705 0.900429 0.180881 ] [ 0.771413 0.926749 0.95099 ] [ 0.271413 0.073251 0.54901 ] [ 0.728587 0.426749 0.54901 ] [ 0.228587 0.073251 0.04901 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Lu" "Lu" "Lu" "Lu" "Cl" "Cl" "Cl" "Cl" "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" 6.34478481 "source-unit" "angstrom" } "b" { "source-value" 6.62131813 "source-unit" "angstrom" } "c" { "source-value" 16.0673907 "source-unit" "angstrom" } }