{ "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 ] [ 0.836183 0 0.673553 ] [ 0.663817 0.5 0.326447 ] [ 0.5 0 0 ] [ 0.336183 0.5 0.673553 ] [ 0.163817 0 0.326447 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.835947 0 0.166382 ] [ 0.664053 0.5 0.833618 ] [ 0.335947 0.5 0.166382 ] [ 0.164053 0 0.833618 ] [ 0.846311 0.5 0.403393 ] [ 0.653689 0 0.596607 ] [ 0.001084 0 0.275683 ] [ 0.668649 0 0.065483 ] [ 0.998916 0 0.724317 ] [ 0.831351 0.5 0.934517 ] [ 0.346311 0 0.403393 ] [ 0.153689 0.5 0.596607 ] [ 0.501084 0.5 0.275683 ] [ 0.168649 0.5 0.065483 ] [ 0.498916 0.5 0.724317 ] [ 0.331351 0 0.934517 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "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" 12.92107503 "source-unit" "angstrom" } "b" { "source-value" 2.84505576 "source-unit" "angstrom" } "c" { "source-value" 5.76674744 "source-unit" "angstrom" } "beta" { "source-value" 103.13492042 "source-unit" "degree" } }