{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.510093 0.702139 0.748961 ] [ 0.010093 0.297861 0.248961 ] [ 0.992176 0.212111 0.749856 ] [ 0.492176 0.787889 0.249856 ] [ 0.999009 0.749143 0.998774 ] [ 0.499009 0.250857 0.498774 ] [ 0.000172 0.749751 0.500827 ] [ 0.500172 0.250249 0.000827 ] [ 0.922543 0.726644 0.254606 ] [ 0.794883 0.467563 0.959287 ] [ 0.77707 0.453697 0.542066 ] [ 0.718295 0.947052 0.95563 ] [ 0.700867 0.967376 0.544128 ] [ 0.584892 0.230282 0.245865 ] [ 0.422543 0.273356 0.754606 ] [ 0.294883 0.532437 0.459287 ] [ 0.27707 0.546303 0.042066 ] [ 0.218295 0.052948 0.45563 ] [ 0.200867 0.032624 0.044128 ] [ 0.084892 0.769718 0.745865 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Ti" "Ti" "Mn" "Mn" "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" 5.5689173879 "source-unit" "angstrom" } "b" { "source-value" 5.6673716 "source-unit" "angstrom" } "c" { "source-value" 7.63376606189 "source-unit" "angstrom" } "beta" { "source-value" 90.6199842635 "source-unit" "degree" } }