{ "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" [ [ 0.09273 0.647184 0.286051 ] [ 0.40727 0.147184 0.213949 ] [ 0.90727 0.352816 0.713949 ] [ 0.59273 0.852816 0.786051 ] [ 0.616954 0.664219 0.304064 ] [ 0.883046 0.164219 0.195936 ] [ 0.383046 0.335781 0.695936 ] [ 0.116954 0.835781 0.804064 ] [ 0.71263 0.708641 0.119671 ] [ 0.78737 0.208641 0.380329 ] [ 0.28737 0.291359 0.880329 ] [ 0.21263 0.791359 0.619671 ] [ 0.816877 0.607652 0.471719 ] [ 0.683123 0.107652 0.028281 ] [ 0.183123 0.392348 0.528281 ] [ 0.316877 0.892348 0.971719 ] [ 0.947836 0.994411 0.760288 ] [ 0.552164 0.494411 0.739712 ] [ 0.052164 0.005589 0.239712 ] [ 0.447836 0.505589 0.260288 ] [ 0.014859 0.658375 0.88207 ] [ 0.485141 0.158375 0.61793 ] [ 0.985141 0.341625 0.11793 ] [ 0.514859 0.841625 0.38207 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Se" "Se" "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" 7.06769781772 "source-unit" "angstrom" } "b" { "source-value" 7.55523722 "source-unit" "angstrom" } "c" { "source-value" 7.30935779444 "source-unit" "angstrom" } "beta" { "source-value" 103.566656376 "source-unit" "degree" } }