{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0.5 0.62032 ] [ 0.5 0 0.37968 ] [ 0 0 0.5 ] [ 0.794894 0 0.285879 ] [ 0 0.5 0.256746 ] [ 0 0.205106 0.714121 ] [ 0 0.794894 0.714121 ] [ 0.205106 0 0.285879 ] [ 0.266626 0.5 0.72244 ] [ 0.5 0.733374 0.27756 ] [ 0.5 0.266626 0.27756 ] [ 0.5 0 0.743254 ] [ 0.733374 0.5 0.72244 ] ] } "species" { "source-value" [ "Ti" "V" "V" "Cr" "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" 6.64940756 "source-unit" "angstrom" } "c" { "source-value" 4.45587936 "source-unit" "angstrom" } }