{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0 0.5 ] [ 0.541262 0.752587 0 ] [ 0.247413 0.541262 0.5 ] [ 0 0.5 0 ] [ 0.752587 0.458738 0.5 ] [ 0.458738 0.247413 0 ] [ 0.306573 0.80938 0.735864 ] [ 0.306573 0.80938 0.264136 ] [ 0.80938 0.693427 0.764136 ] [ 0.80938 0.693427 0.235864 ] [ 0.19062 0.306573 0.764136 ] [ 0.19062 0.306573 0.235864 ] [ 0.693427 0.19062 0.735864 ] [ 0.693427 0.19062 0.264136 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.75698046 "source-unit" "angstrom" } "c" { "source-value" 5.81641701 "source-unit" "angstrom" } }