{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.168276 0 0.328324 ] [ 0.331724 0.5 0.671676 ] [ 0.5 0 0 ] [ 0.668276 0.5 0.328324 ] [ 0.831724 0 0.671676 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.333915 0.5 0.165558 ] [ 0.166085 0 0.834442 ] [ 0.833915 0 0.165558 ] [ 0.666085 0.5 0.834442 ] [ 0.161884 0.5 0.600323 ] [ 0.338116 0 0.399677 ] [ 0.000655 0 0.736938 ] [ 0.329197 0 0.934738 ] [ 0.999345 0 0.263062 ] [ 0.170803 0.5 0.065262 ] [ 0.661884 0 0.600323 ] [ 0.838116 0.5 0.399677 ] [ 0.500655 0.5 0.736938 ] [ 0.829197 0.5 0.934738 ] [ 0.499345 0.5 0.263062 ] [ 0.670803 0 0.065262 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "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" 13.04951043 "source-unit" "angstrom" } "b" { "source-value" 2.91452385 "source-unit" "angstrom" } "c" { "source-value" 5.86465824 "source-unit" "angstrom" } "beta" { "source-value" 103.85040057 "source-unit" "degree" } }