{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.849683 0.5 ] [ 0 0.850356 0 ] [ 0 0.149644 0 ] [ 0.5 0.150317 0.5 ] [ 0 0.349683 0.5 ] [ 0.5 0.350356 0 ] [ 0.5 0.649644 0 ] [ 0 0.650317 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.750786 ] [ 0.25 0.75 0.249214 ] [ 0.75 0.75 0.249214 ] [ 0.249065 0 0.25095 ] [ 0.25 0.75 0.750786 ] [ 0.249065 0 0.74905 ] [ 0.750935 0 0.74905 ] [ 0.750935 0 0.25095 ] [ 0.25 0.25 0.750786 ] [ 0.75 0.25 0.249214 ] [ 0.25 0.25 0.249214 ] [ 0.749065 0.5 0.25095 ] [ 0.75 0.25 0.750786 ] [ 0.749065 0.5 0.74905 ] [ 0.250935 0.5 0.74905 ] [ 0.250935 0.5 0.25095 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "Au" "Au" "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" 5.78757531321 "source-unit" "angstrom" } "b" { "source-value" 12.5269505221 "source-unit" "angstrom" } "c" { "source-value" 5.78796927 "source-unit" "angstrom" } }