{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mcc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.686968 0.849444 0.628118 ] [ 0.313032 0.150556 0.628118 ] [ 0.849444 0.686968 0.871882 ] [ 0.849444 0.313032 0.628118 ] [ 0.150556 0.686968 0.628118 ] [ 0.313032 0.849444 0.871882 ] [ 0.849444 0.686968 0.128118 ] [ 0.313032 0.849444 0.128118 ] [ 0.686968 0.150556 0.128118 ] [ 0.849444 0.313032 0.371882 ] [ 0.150556 0.686968 0.371882 ] [ 0.150556 0.313032 0.128118 ] [ 0.686968 0.849444 0.371882 ] [ 0.313032 0.150556 0.371882 ] [ 0.150556 0.313032 0.871882 ] [ 0.686968 0.150556 0.871882 ] ] } "species" { "source-value" [ "Hg" "Hg" "Au" "Au" "Au" "Au" "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" 5.92562489 "source-unit" "angstrom" } "c" { "source-value" 10.67290064 "source-unit" "angstrom" } }