{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.796235 0.871174 0.114256 ] [ 0.796235 0.628826 0.614256 ] [ 0.203765 0.128826 0.885744 ] [ 0.203765 0.371174 0.385744 ] [ 0.767047 0.379401 0.947173 ] [ 0.232953 0.620599 0.052827 ] [ 0.232953 0.879401 0.552827 ] [ 0.767047 0.120599 0.447173 ] [ 0.622816 0.391395 0.191486 ] [ 0.377184 0.608605 0.808514 ] [ 0.622816 0.108605 0.691486 ] [ 0.377184 0.891395 0.308514 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.94519297 "source-unit" "angstrom" } "b" { "source-value" 5.89253487 "source-unit" "angstrom" } "c" { "source-value" 7.75314979 "source-unit" "angstrom" } "beta" { "source-value" 117.31633383 "source-unit" "degree" } }