{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.270285 0.991562 0.753234 ] [ 0.729715 0.491562 0.746766 ] [ 0.5 0 0.5 ] [ 0.270285 0.508438 0.253234 ] [ 0.729715 0.008438 0.246766 ] [ 0.482806 0.694426 0.831207 ] [ 0.517194 0.194426 0.668793 ] [ 0.482806 0.805574 0.331207 ] [ 0.517194 0.305574 0.168793 ] [ 0.271363 0.1987 0.922006 ] [ 0.772578 0.301902 0.92445 ] [ 0.98157 0.793158 0.816715 ] [ 0.01843 0.293158 0.683285 ] [ 0.227422 0.801902 0.57555 ] [ 0.728637 0.6987 0.577994 ] [ 0.271363 0.3013 0.422006 ] [ 0.772578 0.198098 0.42445 ] [ 0.98157 0.706842 0.316715 ] [ 0.01843 0.206842 0.183285 ] [ 0.227422 0.698098 0.07555 ] [ 0.728637 0.8013 0.077994 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.60518823 "source-unit" "angstrom" } "b" { "source-value" 4.70176616 "source-unit" "angstrom" } "c" { "source-value" 10.38467996 "source-unit" "angstrom" } "beta" { "source-value" 95.60989238 "source-unit" "degree" } }