{ "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" [ [ 0.045993 0.355778 0.696598 ] [ 0.545993 0.144222 0.196598 ] [ 0.454007 0.855778 0.803402 ] [ 0.954007 0.644222 0.303402 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.049671 0.32494 0.19761 ] [ 0.450329 0.82494 0.30239 ] [ 0.950329 0.67506 0.80239 ] [ 0.549671 0.17506 0.69761 ] [ 0.200349 0.365753 0.030813 ] [ 0.799651 0.634247 0.969187 ] [ 0.299651 0.865753 0.469187 ] [ 0.755107 0.37692 0.175024 ] [ 0.818255 0.605495 0.610127 ] [ 0.700349 0.134247 0.530813 ] [ 0.181745 0.394505 0.389873 ] [ 0.744893 0.87692 0.324976 ] [ 0.244893 0.62308 0.824976 ] [ 0.560184 0.34931 0.714556 ] [ 0.255107 0.12308 0.675024 ] [ 0.060184 0.15069 0.214556 ] [ 0.318255 0.894505 0.110127 ] [ 0.681745 0.105495 0.889873 ] [ 0.939816 0.84931 0.785444 ] [ 0.439816 0.65069 0.285444 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.08101083277 "source-unit" "angstrom" } "b" { "source-value" 8.99995467 "source-unit" "angstrom" } "c" { "source-value" 7.08611684839 "source-unit" "angstrom" } "beta" { "source-value" 98.4921735458 "source-unit" "degree" } }