{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.176641 0.25 ] [ 0.5 0.823359 0.75 ] [ 0 0.676641 0.25 ] [ 0 0.323359 0.75 ] [ 0 0.106336 0.75 ] [ 0 0.893664 0.25 ] [ 0.5 0.606336 0.75 ] [ 0.5 0.393664 0.25 ] [ 0.5 0.249578 0.75 ] [ 0.5 0.750422 0.25 ] [ 0.5 0.044201 0.25 ] [ 0.5 0.955799 0.75 ] [ 0 0.749578 0.75 ] [ 0 0.250422 0.25 ] [ 0 0.544201 0.25 ] [ 0 0.455799 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ce" "Ce" "Ce" "Ce" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.53258860004 "source-unit" "angstrom" } "b" { "source-value" 18.9898508582 "source-unit" "angstrom" } "c" { "source-value" 4.58097352 "source-unit" "angstrom" } }