{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0.761102 0.270579 0.930659 ] [ 0.229421 0.761102 0.680659 ] [ 0.770579 0.238898 0.680659 ] [ 0.238898 0.729421 0.930659 ] [ 0.261102 0.270579 0.819341 ] [ 0.729421 0.761102 0.069341 ] [ 0.270579 0.238898 0.069341 ] [ 0.738898 0.729421 0.819341 ] [ 0.261102 0.770579 0.430659 ] [ 0.729421 0.261102 0.180659 ] [ 0.270579 0.738898 0.180659 ] [ 0.738898 0.229421 0.430659 ] [ 0.761102 0.770579 0.319341 ] [ 0.229421 0.261102 0.569341 ] [ 0.770579 0.738898 0.569341 ] [ 0.238898 0.229421 0.319341 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "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" 4.93803692 "source-unit" "angstrom" } "c" { "source-value" 11.38059804 "source-unit" "angstrom" } }