{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.663794 0.75 0.310695 ] [ 0.336206 0.25 0.689305 ] [ 0.986102 0.25 0.097706 ] [ 0.013898 0.75 0.902294 ] [ 0.764924 0.25 0.550208 ] [ 0.235076 0.75 0.449792 ] [ 0.750996 0.25 0.067535 ] [ 0.249004 0.75 0.932465 ] ] } "species" { "source-value" [ "Y" "Y" "H" "H" "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" 4.34605155606 "source-unit" "angstrom" } "b" { "source-value" 3.67079744 "source-unit" "angstrom" } "c" { "source-value" 6.04936794594 "source-unit" "angstrom" } "beta" { "source-value" 109.680973915 "source-unit" "degree" } }