{ "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" [ [ 0.167325 0 0.390445 ] [ 0.832675 0 0.609555 ] [ 0.093071 0.5 0.139708 ] [ 0.906929 0.5 0.860292 ] [ 0.786754 0 0.871685 ] [ 0.213246 0 0.128315 ] [ 0.667325 0.5 0.390445 ] [ 0.332675 0.5 0.609555 ] [ 0.593071 0 0.139708 ] [ 0.406929 0 0.860292 ] [ 0.286754 0.5 0.871685 ] [ 0.713246 0.5 0.128315 ] [ 0.066244 0 0.698301 ] [ 0.933756 0 0.301699 ] [ 0.566244 0.5 0.698301 ] [ 0.433756 0.5 0.301699 ] [ 0.165638 0.5 0.943613 ] [ 0.834362 0.5 0.056387 ] [ 0.002157 0 0.001444 ] [ 0.761651 0 0.339145 ] [ 0.078304 0.5 0.40686 ] [ 0.921696 0.5 0.59314 ] [ 0.238349 0 0.660855 ] [ 0.665638 0 0.943613 ] [ 0.334362 0 0.056387 ] [ 0.502157 0.5 0.001444 ] [ 0.261651 0.5 0.339145 ] [ 0.578304 0 0.40686 ] [ 0.421696 0 0.59314 ] [ 0.738349 0.5 0.660855 ] [ 0.139414 0 0.196584 ] [ 0.860586 0 0.803416 ] [ 0.639414 0.5 0.196584 ] [ 0.360586 0.5 0.803416 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Cs" "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 24.26354826 "source-unit" "angstrom" } "b" { "source-value" 4.21531682 "source-unit" "angstrom" } "c" { "source-value" 11.51682047 "source-unit" "angstrom" } "beta" { "source-value" 103.65620202 "source-unit" "degree" } }