{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.339164 0.5 ] [ 0 0.5 0.5 ] [ 0 0.160836 0.5 ] [ 0 0 0 ] [ 0 0.839164 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.660836 0.5 ] [ 0.5 0.5 0 ] [ 0 0.333515 0 ] [ 0.5 0.166485 0 ] [ 0.5 0.833515 0 ] [ 0 0.666485 0 ] [ 0.264839 0 0.76172 ] [ 0.24957 0.327919 0.764422 ] [ 0.235161 0.5 0.23828 ] [ 0.25043 0.827919 0.235578 ] [ 0.24957 0.672081 0.764422 ] [ 0.25043 0.172081 0.235578 ] [ 0.764839 0.5 0.76172 ] [ 0.74957 0.827919 0.764422 ] [ 0.735161 0 0.23828 ] [ 0.75043 0.327919 0.235578 ] [ 0.74957 0.172081 0.764422 ] [ 0.75043 0.672081 0.235578 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ru" "Ru" "Ru" "Ru" "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" 5.11087930883 "source-unit" "angstrom" } "b" { "source-value" 8.84026272036 "source-unit" "angstrom" } "c" { "source-value" 5.20240286165 "source-unit" "angstrom" } "beta" { "source-value" 109.102037305 "source-unit" "degree" } }