{ "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" [ [ 0.759948 0.017897 0.555235 ] [ 0.759948 0.482103 0.055235 ] [ 0.240052 0.982103 0.444765 ] [ 0.240052 0.517897 0.944765 ] [ 0.659202 0.363061 0.486124 ] [ 0.659202 0.136939 0.986124 ] [ 0.340798 0.636939 0.513876 ] [ 0.340798 0.863061 0.013876 ] [ 0.839183 0.44859 0.298622 ] [ 0.651183 0.147599 0.388362 ] [ 0.093075 0.445706 0.317382 ] [ 0.906925 0.554294 0.682618 ] [ 0.906925 0.945706 0.182618 ] [ 0.093075 0.054294 0.817382 ] [ 0.160817 0.55141 0.701378 ] [ 0.737875 0.639436 0.969904 ] [ 0.839183 0.05141 0.798622 ] [ 0.262125 0.360564 0.030096 ] [ 0.348817 0.647599 0.111638 ] [ 0.651183 0.352401 0.888362 ] [ 0.348817 0.852401 0.611638 ] [ 0.262125 0.139436 0.530096 ] [ 0.160817 0.94859 0.201378 ] [ 0.737875 0.860564 0.469904 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Ag" "Ag" "Ag" "Ag" "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" 6.1037078 "source-unit" "angstrom" } "b" { "source-value" 9.42054867 "source-unit" "angstrom" } "c" { "source-value" 8.35696314 "source-unit" "angstrom" } "beta" { "source-value" 127.74385678 "source-unit" "degree" } }