{ "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" [ [ 0.75 0.257017 0.847493 ] [ 0.75 0.757017 0.652507 ] [ 0.25 0.242983 0.347493 ] [ 0.25 0.742983 0.152507 ] [ 0.25 0.564202 0.387767 ] [ 0.25 0.081242 0.603816 ] [ 0.75 0.918758 0.396184 ] [ 0.75 0.418758 0.103816 ] [ 0.25 0.064202 0.112233 ] [ 0.75 0.935798 0.887767 ] [ 0.75 0.435798 0.612233 ] [ 0.25 0.581242 0.896184 ] [ 0.25 0.477675 0.218814 ] [ 0.75 0.422749 0.429398 ] [ 0.25 0.577251 0.570602 ] [ 0.25 0.977675 0.281186 ] [ 0.75 0.112609 0.479569 ] [ 0.75 0.707854 0.351246 ] [ 0.25 0.887391 0.520431 ] [ 0.25 0.292146 0.648754 ] [ 0.25 0.792146 0.851246 ] [ 0.75 0.207854 0.148754 ] [ 0.25 0.077251 0.929398 ] [ 0.75 0.022325 0.718814 ] [ 0.75 0.522325 0.781186 ] [ 0.25 0.387391 0.979569 ] [ 0.75 0.922749 0.070602 ] [ 0.75 0.612609 0.020431 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.9211185 "source-unit" "angstrom" } "b" { "source-value" 9.30709693 "source-unit" "angstrom" } "c" { "source-value" 10.88121638 "source-unit" "angstrom" } }