{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.521163 0.85008 0.5 ] [ 0.85008 0.478837 0 ] [ 0.14992 0.521163 0 ] [ 0.64992 0.978837 0 ] [ 0.425314 0.367151 0 ] [ 0.021163 0.64992 0.5 ] [ 0.35008 0.021163 0 ] [ 0.132849 0.074686 0.5 ] [ 0.867151 0.925314 0.5 ] [ 0.925314 0.132849 0 ] [ 0.074686 0.867151 0 ] [ 0.574686 0.632849 0 ] [ 0.632849 0.425314 0.5 ] [ 0.367151 0.574686 0.5 ] [ 0.478837 0.14992 0.5 ] [ 0.978837 0.35008 0.5 ] [ 0.245457 0.34412 0.5 ] [ 0.754543 0.65588 0.5 ] [ 0.65588 0.245457 0 ] [ 0.84412 0.745457 0 ] [ 0.745457 0.15588 0.5 ] [ 0.254543 0.84412 0.5 ] [ 0.15588 0.254543 0 ] [ 0.34412 0.754543 0 ] [ 0.163381 0.491268 0.5 ] [ 0.635867 0.410627 0 ] [ 0.364133 0.589373 0 ] [ 0.864133 0.910627 0 ] [ 0.910627 0.135867 0.5 ] [ 0.089373 0.864133 0.5 ] [ 0.135867 0.089373 0 ] [ 0.008732 0.336619 0 ] [ 0.336619 0.991268 0.5 ] [ 0.663381 0.008732 0.5 ] [ 0.410627 0.364133 0.5 ] [ 0.991268 0.663381 0 ] [ 0.491268 0.836619 0 ] [ 0.508732 0.163381 0 ] [ 0.836619 0.508732 0.5 ] [ 0.589373 0.635867 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.24799993 "source-unit" "angstrom" } "c" { "source-value" 5.05587397 "source-unit" "angstrom" } }