{ "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" [ [ 0.241178 0.75 0.078214 ] [ 0.748682 0.984475 0.279776 ] [ 0.748682 0.515525 0.279776 ] [ 0.251318 0.484475 0.720224 ] [ 0.251318 0.015525 0.720224 ] [ 0.758822 0.25 0.921786 ] [ 0.234049 0.25 0.359148 ] [ 0.765951 0.75 0.640852 ] [ 0.287803 0.75 0.425006 ] [ 0.712197 0.25 0.574994 ] [ 0.267386 0.25 0.090984 ] [ 0.732614 0.75 0.909016 ] [ 0.753316 0.75 0.044053 ] [ 0.073569 0.25 0.169438 ] [ 0.474912 0.25 0.154907 ] [ 0.250129 0.922323 0.330426 ] [ 0.250129 0.577677 0.330426 ] [ 0.560355 0.75 0.477718 ] [ 0.882184 0.25 0.447243 ] [ 0.117816 0.75 0.552757 ] [ 0.439645 0.25 0.522282 ] [ 0.749871 0.422323 0.669574 ] [ 0.749871 0.077677 0.669574 ] [ 0.525088 0.75 0.845093 ] [ 0.926431 0.75 0.830562 ] [ 0.246684 0.25 0.955947 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Cu" "Cu" "P" "P" "C" "C" "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" 5.52469936 "source-unit" "angstrom" } "b" { "source-value" 7.28983327 "source-unit" "angstrom" } "c" { "source-value" 9.54061063 "source-unit" "angstrom" } "beta" { "source-value" 90.80660024 "source-unit" "degree" } }