{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.125 ] [ 0.25 0 0.875 ] [ 0.25 0.5 0.625 ] [ 0.75 0.5 0.375 ] [ 0.75 0.812997 0.445284 ] [ 0.937003 0.5 0.695284 ] [ 0.062997 0.5 0.304716 ] [ 0.25 0.187003 0.554716 ] [ 0.75 0.312997 0.054716 ] [ 0.937003 0 0.804716 ] [ 0.25 0.687003 0.945284 ] [ 0.062997 0 0.195284 ] [ 0.25 0.312997 0.945284 ] [ 0.437003 0 0.195284 ] [ 0.562997 0 0.804716 ] [ 0.75 0.687003 0.054716 ] [ 0.25 0.812997 0.554716 ] [ 0.437003 0.5 0.304716 ] [ 0.75 0.187003 0.445284 ] [ 0.562997 0.5 0.695284 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "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" 8.55971253317 "source-unit" "angstrom" } "c" { "source-value" 7.70853374841 "source-unit" "angstrom" } }