{ "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" [ [ 0.265182 0.504991 0.780455 ] [ 0.734818 0.004991 0.719545 ] [ 0.265182 0.995009 0.280455 ] [ 0.734818 0.495009 0.219545 ] [ 0.389563 0.207615 0.626117 ] [ 0.610437 0.707615 0.873883 ] [ 0.108218 0.812845 0.911263 ] [ 0.108218 0.687155 0.411263 ] [ 0.891782 0.312845 0.588737 ] [ 0.389563 0.292385 0.126117 ] [ 0.891782 0.187155 0.088737 ] [ 0.610437 0.792385 0.373883 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "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" 5.51359616624 "source-unit" "angstrom" } "b" { "source-value" 4.83097464 "source-unit" "angstrom" } "c" { "source-value" 5.57114435832 "source-unit" "angstrom" } "beta" { "source-value" 117.997669761 "source-unit" "degree" } }