{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.814012 0.314012 0 ] [ 0.314012 0.185988 0 ] [ 0.685988 0.814012 0 ] [ 0.185988 0.685988 0 ] [ 0 0 0.201145 ] [ 0.5 0.5 0.798855 ] [ 0 0 0.798855 ] [ 0.5 0.5 0.201145 ] [ 0.589557 0.089557 0.5 ] [ 0.089557 0.410443 0.5 ] [ 0.910443 0.589557 0.5 ] [ 0.410443 0.910443 0.5 ] [ 0.038899 0.175149 0.5 ] [ 0.175149 0.961101 0.5 ] [ 0.824851 0.038899 0.5 ] [ 0.961101 0.824851 0.5 ] [ 0.461101 0.675149 0.5 ] [ 0.538899 0.324851 0.5 ] [ 0.675149 0.538899 0.5 ] [ 0.324851 0.461101 0.5 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.25561389 "source-unit" "angstrom" } "c" { "source-value" 4.11952518 "source-unit" "angstrom" } }