{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.448398 ] [ 0.5 0 0.551602 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.747784 0.5 0.046123 ] [ 0 0.752216 0.046123 ] [ 0 0.247784 0.046123 ] [ 0.252216 0.5 0.046123 ] [ 0.752216 0 0.953877 ] [ 0.247784 0 0.953877 ] [ 0.5 0.747784 0.953877 ] [ 0.5 0.252216 0.953877 ] [ 0.720119 0.220119 0.285422 ] [ 0.720119 0.779881 0.285422 ] [ 0.279881 0.220119 0.285422 ] [ 0.279881 0.779881 0.285422 ] [ 0.779881 0.720119 0.714578 ] [ 0.220119 0.279881 0.714578 ] [ 0.220119 0.720119 0.714578 ] [ 0.779881 0.279881 0.714578 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ti" "Ti" "Ti" "Ti" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.03203803 "source-unit" "angstrom" } "c" { "source-value" 6.64232888 "source-unit" "angstrom" } }