{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.478128 0.980003 0.37392 ] [ 0.519997 0.978128 0.62392 ] [ 0.049522 0.950478 0.75 ] [ 0.549522 0.549522 0 ] [ 0.019997 0.521872 0.12608 ] [ 0.978128 0.519997 0.37608 ] [ 0.021872 0.480003 0.87608 ] [ 0.980003 0.478128 0.62608 ] [ 0.450478 0.450478 0.5 ] [ 0.950478 0.049522 0.25 ] [ 0.480003 0.021872 0.12392 ] [ 0.521872 0.019997 0.87392 ] [ 0.995789 0.995789 0.5 ] [ 0.495789 0.504211 0.25 ] [ 0.504211 0.495789 0.75 ] [ 0.004211 0.004211 0 ] [ 0.23348 0.778836 0.989979 ] [ 0.221164 0.76652 0.510021 ] [ 0.721164 0.73348 0.239979 ] [ 0.73348 0.721164 0.760021 ] [ 0.26652 0.278836 0.260021 ] [ 0.278836 0.26652 0.739979 ] [ 0.778836 0.23348 0.010021 ] [ 0.76652 0.221164 0.489979 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "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" 5.54088822 "source-unit" "angstrom" } "c" { "source-value" 12.18101115 "source-unit" "angstrom" } }