{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.518583 0.182162 0.416569 ] [ 0.481417 0.682162 0.083431 ] [ 0.518583 0.317838 0.916569 ] [ 0.481417 0.817838 0.583431 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.011636 0.309195 0.6241 ] [ 0.988364 0.809195 0.8759 ] [ 0.988364 0.690805 0.3759 ] [ 0.011636 0.190805 0.1241 ] [ 0.583596 0.049811 0.762384 ] [ 0.416404 0.549811 0.737616 ] [ 0.583596 0.450189 0.262384 ] [ 0.416404 0.950189 0.237616 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.35432290904 "source-unit" "angstrom" } "b" { "source-value" 9.39536359 "source-unit" "angstrom" } "c" { "source-value" 5.702775572 "source-unit" "angstrom" } "beta" { "source-value" 93.2998702425 "source-unit" "degree" } }