{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.739224 ] [ 0.694751 0.17632 0.513979 ] [ 0.32368 0.194751 0.986021 ] [ 0 0 0.260776 ] [ 0.67632 0.805249 0.986021 ] [ 0.305249 0.82368 0.513979 ] [ 0.5 0.5 0.239224 ] [ 0.194751 0.67632 0.013979 ] [ 0.82368 0.694751 0.486021 ] [ 0.5 0.5 0.760776 ] [ 0.17632 0.305249 0.486021 ] [ 0.805249 0.32368 0.013979 ] ] } "species" { "source-value" [ "Sr" "Sr" "La" "La" "Mn" "Mn" "W" "W" "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" 5.80183002914 "source-unit" "angstrom" } "c" { "source-value" 8.10794812347 "source-unit" "angstrom" } }