{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.358934 0.109519 0.5 ] [ 0.609518 0.141066 0 ] [ 0.1619 0.1619 0 ] [ 0.6619 0.3381 0.5 ] [ 0.109519 0.358934 0.5 ] [ 0.858934 0.390481 0 ] [ 0.141066 0.609518 0 ] [ 0.890482 0.641066 0.5 ] [ 0.3381 0.6619 0.5 ] [ 0.8381 0.8381 0 ] [ 0.390481 0.858934 0 ] [ 0.641066 0.890482 0.5 ] [ 0.887096 0.112904 0.5 ] [ 0.387096 0.387096 0 ] [ 0.612904 0.612904 0 ] [ 0.112904 0.887096 0.5 ] [ 0.094687 0.094687 0.5 ] [ 0.679724 0.110929 0.5 ] [ 0.389071 0.179724 0 ] [ 0.889071 0.320276 0.5 ] [ 0.179724 0.389071 0 ] [ 0.594687 0.405313 0 ] [ 0.405313 0.594687 0 ] [ 0.820276 0.610929 0 ] [ 0.110929 0.679724 0.5 ] [ 0.610929 0.820276 0 ] [ 0.320276 0.889071 0.5 ] [ 0.905313 0.905313 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.78597665 "source-unit" "angstrom" } "c" { "source-value" 4.49166332 "source-unit" "angstrom" } }