{ "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" [ [ 0.763906 0.003427 0.220416 ] [ 0.763906 0.496573 0.220416 ] [ 0.236094 0.503427 0.779584 ] [ 0.236094 0.996573 0.779584 ] [ 0.217809 0.25 0.344117 ] [ 0.782191 0.75 0.655883 ] [ 0.274193 0.25 0.079243 ] [ 0.725807 0.75 0.920757 ] [ 0.276121 0.75 0.425677 ] [ 0.723879 0.25 0.574323 ] [ 0.696399 0.75 0.064768 ] [ 0.044114 0.25 0.139913 ] [ 0.465 0.25 0.184869 ] [ 0.201288 0.950765 0.322819 ] [ 0.201288 0.549235 0.322819 ] [ 0.870913 0.25 0.411045 ] [ 0.593832 0.75 0.4677 ] [ 0.406168 0.25 0.5323 ] [ 0.129087 0.75 0.588955 ] [ 0.798712 0.450765 0.677181 ] [ 0.798712 0.049235 0.677181 ] [ 0.535 0.75 0.815131 ] [ 0.955886 0.75 0.860087 ] [ 0.303601 0.25 0.935232 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "B" "B" "As" "As" "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" 5.39865807 "source-unit" "angstrom" } "b" { "source-value" 6.8608254 "source-unit" "angstrom" } "c" { "source-value" 9.18472707 "source-unit" "angstrom" } "beta" { "source-value" 92.21094709 "source-unit" "degree" } }