{ "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" [ [ 0.990014 0.044703 0.249105 ] [ 0.509986 0.544703 0.250895 ] [ 0.009986 0.955297 0.750895 ] [ 0.490014 0.455297 0.749105 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.696713 0.283054 0.04957 ] [ 0.781803 0.801932 0.046086 ] [ 0.910191 0.526062 0.73993 ] [ 0.589809 0.026062 0.76007 ] [ 0.718197 0.301932 0.453914 ] [ 0.803287 0.783054 0.45043 ] [ 0.196713 0.216946 0.54957 ] [ 0.281803 0.698068 0.546086 ] [ 0.303287 0.716946 0.95043 ] [ 0.089809 0.473938 0.26007 ] [ 0.218197 0.198068 0.953914 ] [ 0.410191 0.973938 0.23993 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ti" "Ti" "Zn" "Zn" "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" 5.60179622864 "source-unit" "angstrom" } "b" { "source-value" 5.70671012 "source-unit" "angstrom" } "c" { "source-value" 7.95718039161 "source-unit" "angstrom" } "beta" { "source-value" 90.0573340876 "source-unit" "degree" } }