{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.186443 0.24988 0.182983 ] [ 0.689105 0.499438 0.314245 ] [ 0.310895 0.999438 0.685755 ] [ 0.813557 0.74988 0.817017 ] [ 0.181159 0.749742 0.170621 ] [ 0.818841 0.249742 0.829379 ] [ 0.682373 0.994481 0.326005 ] [ 0.317627 0.494481 0.673995 ] [ 0.786298 0.245298 0.135621 ] [ 0.869653 0.750881 0.196788 ] [ 0.305313 0.968095 0.305002 ] [ 0.312505 0.534217 0.304257 ] [ 0.687495 0.034217 0.695743 ] [ 0.694687 0.468095 0.694998 ] [ 0.130347 0.250881 0.803212 ] [ 0.213702 0.745298 0.864379 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Ni" "Ni" "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" 5.27452364 "source-unit" "angstrom" } "b" { "source-value" 6.24375433 "source-unit" "angstrom" } "c" { "source-value" 5.32534771 "source-unit" "angstrom" } "beta" { "source-value" 93.39869526 "source-unit" "degree" } }