{ "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" [ [ 0.0136 0.942759 0.250789 ] [ 0.4864 0.442759 0.249211 ] [ 0.9864 0.057241 0.749211 ] [ 0.5136 0.557241 0.750789 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.906015 0.527857 0.246217 ] [ 0.593985 0.027857 0.253783 ] [ 0.093985 0.472143 0.753783 ] [ 0.406015 0.972143 0.746217 ] [ 0.795245 0.801757 0.549478 ] [ 0.704755 0.301757 0.950522 ] [ 0.204755 0.198243 0.450522 ] [ 0.295245 0.698243 0.049478 ] [ 0.192872 0.208652 0.050767 ] [ 0.307128 0.708652 0.449233 ] [ 0.807128 0.791348 0.949233 ] [ 0.692872 0.291348 0.550767 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Zn" "Zn" "Rh" "Rh" "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" 5.59195623412 "source-unit" "angstrom" } "b" { "source-value" 5.79491026 "source-unit" "angstrom" } "c" { "source-value" 7.9499711636 "source-unit" "angstrom" } "beta" { "source-value" 90.0402001076 "source-unit" "degree" } }