{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.758056 0.003421 0.157637 ] [ 0.755964 0.234929 0.925623 ] [ 0.755964 0.265071 0.425623 ] [ 0.758056 0.496579 0.657637 ] [ 0.258056 0.503421 0.342363 ] [ 0.255964 0.734929 0.574377 ] [ 0.255964 0.765071 0.074377 ] [ 0.258056 0.996579 0.842363 ] [ 0.259901 0.010547 0.338283 ] [ 0.259901 0.489453 0.838283 ] [ 0.759901 0.510547 0.161717 ] [ 0.759901 0.989453 0.661717 ] [ 0.2652 0.243811 0.589766 ] [ 0.2652 0.256189 0.089766 ] [ 0.7652 0.743811 0.910234 ] [ 0.7652 0.756189 0.410234 ] [ 0.153273 0.042553 0.65563 ] [ 0.164689 0.055901 0.158548 ] [ 0.172652 0.25091 0.949953 ] [ 0.57339 0.237884 0.596989 ] [ 0.57339 0.262116 0.096989 ] [ 0.172652 0.24909 0.449953 ] [ 0.164689 0.444099 0.658548 ] [ 0.153273 0.457447 0.15563 ] [ 0.653273 0.542553 0.84437 ] [ 0.664689 0.555901 0.341452 ] [ 0.672652 0.75091 0.550047 ] [ 0.07339 0.737884 0.903011 ] [ 0.07339 0.762116 0.403011 ] [ 0.672652 0.74909 0.050047 ] [ 0.664689 0.944099 0.841452 ] [ 0.653273 0.957447 0.34437 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "O" "O" "O" "O" "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" 4.82327701 "source-unit" "angstrom" } "b" { "source-value" 6.18018742 "source-unit" "angstrom" } "c" { "source-value" 10.25800056 "source-unit" "angstrom" } }