{ "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" [ [ 0.338309 0.5 0.374653 ] [ 0.661691 0.5 0.625347 ] [ 0.838309 0 0.374653 ] [ 0.161691 0 0.625347 ] [ 0.841766 0.5 0.052518 ] [ 0.158234 0.5 0.947482 ] [ 0.341766 0 0.052518 ] [ 0.658234 0 0.947482 ] [ 0.945922 0 0.81549 ] [ 0.054078 0 0.18451 ] [ 0.445922 0.5 0.81549 ] [ 0.554078 0.5 0.18451 ] [ 0.8244 0 0.917617 ] [ 0.036898 0.5 0.297734 ] [ 0.963102 0.5 0.702266 ] [ 0.1756 0 0.082383 ] [ 0.3244 0.5 0.917617 ] [ 0.536898 0 0.297734 ] [ 0.463102 0 0.702266 ] [ 0.6756 0.5 0.082383 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Li" "Li" "Li" "Li" "Ni" "Ni" "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" 11.1386975 "source-unit" "angstrom" } "b" { "source-value" 3.31976224 "source-unit" "angstrom" } "c" { "source-value" 8.22029128 "source-unit" "angstrom" } "beta" { "source-value" 118.8294247 "source-unit" "degree" } }