{ "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" [ [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.5 0 0 ] [ 0.234296 0.5 0.213643 ] [ 0.762145 0 0.774635 ] [ 0.009175 0.246923 0.78346 ] [ 0.009175 0.753077 0.78346 ] [ 0.990825 0.246923 0.21654 ] [ 0.990825 0.753077 0.21654 ] [ 0.237855 0 0.225365 ] [ 0.765704 0.5 0.786357 ] [ 0.734296 0 0.213643 ] [ 0.262145 0.5 0.774635 ] [ 0.509175 0.746923 0.78346 ] [ 0.509175 0.253077 0.78346 ] [ 0.490825 0.746923 0.21654 ] [ 0.490825 0.253077 0.21654 ] [ 0.737855 0.5 0.225365 ] [ 0.265704 0 0.786357 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "O" "O" "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" 10.29100154 "source-unit" "angstrom" } "b" { "source-value" 5.90798437 "source-unit" "angstrom" } "c" { "source-value" 5.94290735 "source-unit" "angstrom" } "beta" { "source-value" 124.556009 "source-unit" "degree" } }