{ "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" [ [ 0.984816 0.166705 0.460093 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.015184 0.833295 0.539907 ] [ 0.484816 0.333295 0.460093 ] [ 0.515184 0.666705 0.539907 ] [ 0 0 0 ] [ 0.015526 0.307451 0.984673 ] [ 0.515526 0.192549 0.984673 ] [ 0.984474 0.692549 0.015327 ] [ 0.5 0.5 0 ] [ 0.484474 0.807451 0.015327 ] [ 0.838594 0.155115 0.020846 ] [ 0.89113 0.010065 0.673417 ] [ 0.883992 0.328666 0.657511 ] [ 0.590652 0.1596 0.305035 ] [ 0.338594 0.344885 0.020846 ] [ 0.60887 0.510065 0.326583 ] [ 0.10887 0.989935 0.326583 ] [ 0.909348 0.6596 0.694965 ] [ 0.383992 0.171334 0.657511 ] [ 0.661406 0.655115 0.979154 ] [ 0.090652 0.3404 0.305035 ] [ 0.616008 0.828666 0.342489 ] [ 0.39113 0.489935 0.673417 ] [ 0.116008 0.671334 0.342489 ] [ 0.409348 0.8404 0.694965 ] [ 0.161406 0.844885 0.979154 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "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" 6.0260059 "source-unit" "angstrom" } "b" { "source-value" 10.25796641 "source-unit" "angstrom" } "c" { "source-value" 6.19008855 "source-unit" "angstrom" } "beta" { "source-value" 110.08596038 "source-unit" "degree" } }