{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.745893 0.751628 0.238248 ] [ 0.754107 0.251628 0.761752 ] [ 0.245893 0.251628 0.238248 ] [ 0.254107 0.751628 0.761752 ] [ 0 0.267909 0.5 ] [ 0.5 0.767909 0.5 ] [ 0.809746 0.429486 0.495827 ] [ 0.690254 0.929486 0.504173 ] [ 0 0.886285 0.5 ] [ 0.5 0.657449 0 ] [ 0.80196 0.542775 0.010219 ] [ 0.69804 0.042775 0.989781 ] [ 0.309746 0.929486 0.495827 ] [ 0.190254 0.429486 0.504173 ] [ 0.5 0.386285 0.5 ] [ 0 0.157449 0 ] [ 0.30196 0.042775 0.010219 ] [ 0.19804 0.542775 0.989781 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Cu" "Cu" "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" 9.18341739 "source-unit" "angstrom" } "b" { "source-value" 5.17091404 "source-unit" "angstrom" } "c" { "source-value" 5.64067744 "source-unit" "angstrom" } "beta" { "source-value" 123.66713989 "source-unit" "degree" } }