{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.633597 0.119546 0 ] [ 0.380454 0.133597 0.5 ] [ 0.841605 0.158395 0.5 ] [ 0.341605 0.341605 0 ] [ 0.880454 0.366403 0 ] [ 0.133597 0.380454 0.5 ] [ 0.866403 0.619546 0.5 ] [ 0.119546 0.633597 0 ] [ 0.658395 0.658395 0 ] [ 0.158395 0.841605 0.5 ] [ 0.619546 0.866403 0.5 ] [ 0.366403 0.880454 0 ] [ 0.110047 0.110047 0 ] [ 0.610047 0.389953 0.5 ] [ 0.389953 0.610047 0.5 ] [ 0.889953 0.889953 0 ] [ 0.905178 0.094822 0 ] [ 0.304946 0.104822 0 ] [ 0.604822 0.195054 0.5 ] [ 0.104822 0.304946 0 ] [ 0.804946 0.395178 0.5 ] [ 0.405178 0.405178 0.5 ] [ 0.594822 0.594822 0.5 ] [ 0.195054 0.604822 0.5 ] [ 0.895178 0.695054 0 ] [ 0.395178 0.804946 0.5 ] [ 0.695054 0.895178 0 ] [ 0.094822 0.905178 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "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" 9.67615543 "source-unit" "angstrom" } "c" { "source-value" 4.37908043 "source-unit" "angstrom" } }