{ "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" [ [ 0.994233 0.999293 0.779586 ] [ 0.005767 0.000707 0.220414 ] [ 0.505767 0.499293 0.220414 ] [ 0.494233 0.500707 0.779586 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.997768 0.499131 0.896959 ] [ 0.502232 0.999131 0.103041 ] [ 0.497768 0.000869 0.896959 ] [ 0 0 0.5 ] [ 0.002232 0.500869 0.103041 ] [ 0.004065 0.504879 0.611686 ] [ 0.995935 0.495121 0.388314 ] [ 0.495935 0.004879 0.388314 ] [ 0.504065 0.995121 0.611686 ] [ 0.752014 0.250471 0.091582 ] [ 0.247986 0.749529 0.908418 ] [ 0.251973 0.750434 0.089635 ] [ 0.748027 0.249566 0.910365 ] [ 0.751973 0.749566 0.089635 ] [ 0.248027 0.250434 0.910365 ] [ 0.252014 0.249529 0.091582 ] [ 0.747986 0.750471 0.908418 ] [ 0.54693 0.441662 0.385391 ] [ 0.45307 0.558338 0.614609 ] [ 0.492996 0.008913 0.749338 ] [ 0.95307 0.941662 0.614609 ] [ 0.007004 0.508913 0.250662 ] [ 0.992996 0.491087 0.749338 ] [ 0.507004 0.991087 0.250662 ] [ 0.04693 0.058338 0.385391 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ho" "Ho" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Pb" "Pb" "Pb" "Pb" "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" 5.42179144054 "source-unit" "angstrom" } "b" { "source-value" 5.45457978107 "source-unit" "angstrom" } "c" { "source-value" 15.9301266966 "source-unit" "angstrom" } "beta" { "source-value" 90.4931126822 "source-unit" "degree" } }