{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.992924 ] [ 0.5 0 0.007076 ] [ 0.801386 0.301386 0.997602 ] [ 0 0.5 0.392053 ] [ 0.5 0 0.607947 ] [ 0.301386 0.198614 0.002398 ] [ 0.198614 0.698614 0.997602 ] [ 0.698614 0.801386 0.002398 ] [ 0.810532 0.689468 0.996811 ] [ 0.689468 0.189468 0.003189 ] [ 0.5 0 0.384028 ] [ 0 0.5 0.615972 ] [ 0.189468 0.310532 0.996811 ] [ 0.310532 0.810532 0.003189 ] ] } "species" { "source-value" [ "Al" "Al" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.35179907167 "source-unit" "angstrom" } "c" { "source-value" 5.2054198 "source-unit" "angstrom" } }