{ "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" [ [ 0.755462 0 0.783012 ] [ 0.898854 0 0.550422 ] [ 0.244538 0 0.216988 ] [ 0.101146 0 0.449578 ] [ 0.255462 0.5 0.783012 ] [ 0.398854 0.5 0.550422 ] [ 0.744538 0.5 0.216988 ] [ 0.601146 0.5 0.449578 ] [ 0.943268 0.5 0.128335 ] [ 0.056732 0.5 0.871665 ] [ 0.443268 0 0.128335 ] [ 0.556732 0 0.871665 ] [ 0.346185 0.5 0.313466 ] [ 0.267123 0 0.424122 ] [ 0.653815 0.5 0.686534 ] [ 0.732877 0 0.575878 ] [ 0.846185 0 0.313466 ] [ 0.767123 0.5 0.424122 ] [ 0.153815 0 0.686534 ] [ 0.232877 0.5 0.575878 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "I" "I" "I" "I" "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" 12.8655603266 "source-unit" "angstrom" } "b" { "source-value" 4.15733967425 "source-unit" "angstrom" } "c" { "source-value" 11.7291332161 "source-unit" "angstrom" } "beta" { "source-value" 135.447092812 "source-unit" "degree" } }