{ "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 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.116803 0.616803 0 ] [ 0.383197 0.116803 0 ] [ 0.616803 0.883197 0 ] [ 0.883197 0.383197 0 ] [ 0.652884 0.152884 0.5 ] [ 0.847116 0.652884 0.5 ] [ 0.152884 0.347116 0.5 ] [ 0.347116 0.847116 0.5 ] [ 0.296382 0.203618 0.5 ] [ 0.796382 0.296382 0.5 ] [ 0.203618 0.703618 0.5 ] [ 0.703618 0.796382 0.5 ] [ 0.048375 0.256416 0 ] [ 0.743584 0.048375 0 ] [ 0.256416 0.951625 0 ] [ 0.951625 0.743584 0 ] [ 0.243584 0.451625 0 ] [ 0.548375 0.243584 0 ] [ 0.451625 0.756416 0 ] [ 0.756416 0.548375 0 ] ] } "species" { "source-value" [ "K" "K" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.11282115 "source-unit" "angstrom" } "c" { "source-value" 3.27243694 "source-unit" "angstrom" } }