{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.226791 0.495112 0.202505 ] [ 0.226791 0.004888 0.202505 ] [ 0.773209 0.504888 0.797495 ] [ 0.773209 0.995112 0.797495 ] [ 0.763989 0.75 0.384994 ] [ 0.236011 0.25 0.615006 ] [ 0.71181 0.25 0.409306 ] [ 0.28819 0.75 0.590694 ] [ 0.729621 0.75 0.077155 ] [ 0.270379 0.25 0.922845 ] [ 0.294045 0.25 0.055589 ] [ 0.950905 0.75 0.142936 ] [ 0.531478 0.75 0.161038 ] [ 0.843623 0.07446 0.351219 ] [ 0.843623 0.42554 0.351219 ] [ 0.261389 0.75 0.423787 ] [ 0.422732 0.25 0.37667 ] [ 0.577268 0.75 0.62333 ] [ 0.738611 0.25 0.576213 ] [ 0.156377 0.57446 0.648781 ] [ 0.156377 0.92554 0.648781 ] [ 0.468522 0.25 0.838962 ] [ 0.049095 0.25 0.857064 ] [ 0.705955 0.75 0.944411 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "La" "La" "P" "P" "C" "C" "O" "O" "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" 5.29258998 "source-unit" "angstrom" } "b" { "source-value" 7.18551795 "source-unit" "angstrom" } "c" { "source-value" 9.46693809 "source-unit" "angstrom" } "beta" { "source-value" 91.08998845 "source-unit" "degree" } }