{ "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 0 0.336728 ] [ 0 0 0.663272 ] [ 0.5 0.5 0.163272 ] [ 0.5 0.5 0.836728 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.192449 0.807551 0.16482 ] [ 0.192449 0.807551 0.83518 ] [ 0.195334 0.804666 0.5 ] [ 0.304666 0.304666 0 ] [ 0.307551 0.307551 0.33518 ] [ 0.307551 0.307551 0.66482 ] [ 0.692449 0.692449 0.33518 ] [ 0.692449 0.692449 0.66482 ] [ 0.695334 0.695334 0 ] [ 0.804666 0.195334 0.5 ] [ 0.807551 0.192449 0.16482 ] [ 0.807551 0.192449 0.83518 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.78268565 "source-unit" "angstrom" } "c" { "source-value" 9.31713573 "source-unit" "angstrom" } }