{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0.236289 0.073005 0.5 ] [ 0.763711 0.926995 0.5 ] [ 0.926995 0.236289 0.5 ] [ 0.073005 0.763711 0.5 ] [ 0.573005 0.736289 0 ] [ 0.736289 0.426995 0 ] [ 0.263711 0.573005 0 ] [ 0.426995 0.263711 0 ] [ 0.5 0.5 0.774706 ] [ 0 0 0.725294 ] [ 0.5 0.5 0.225294 ] [ 0 0 0.274706 ] [ 0.674613 0.174613 0.75 ] [ 0.174613 0.325387 0.75 ] [ 0.825387 0.674613 0.75 ] [ 0.325387 0.825387 0.75 ] [ 0.325387 0.825387 0.25 ] [ 0.825387 0.674613 0.25 ] [ 0.174613 0.325387 0.25 ] [ 0.674613 0.174613 0.25 ] [ 0.475228 0.184149 0.5 ] [ 0.524772 0.815851 0.5 ] [ 0.815851 0.475228 0.5 ] [ 0.315851 0.024772 0 ] [ 0.684149 0.975228 0 ] [ 0.975228 0.315851 0 ] [ 0.024772 0.684149 0 ] [ 0.184149 0.524772 0.5 ] [ 0.141771 0.876117 0 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.358229 0.376117 0.5 ] [ 0.641771 0.623883 0.5 ] [ 0.623883 0.358229 0.5 ] [ 0.376117 0.641771 0.5 ] [ 0.876117 0.858229 0 ] [ 0.858229 0.123883 0 ] [ 0.123883 0.141771 0 ] [ 0 0.5 0.75 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" "Tc" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.87526184 "source-unit" "angstrom" } "c" { "source-value" 5.49169317 "source-unit" "angstrom" } }