{ "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" [ [ 0.105317 0.274909 0.853061 ] [ 0.394683 0.774909 0.146939 ] [ 0.894683 0.725091 0.146939 ] [ 0.605317 0.225091 0.853061 ] [ 0.304247 0.768229 0.663117 ] [ 0.195753 0.268229 0.336883 ] [ 0.695753 0.231771 0.336883 ] [ 0.804247 0.731771 0.663117 ] [ 0.326345 0.977327 0.882166 ] [ 0.173655 0.477327 0.117834 ] [ 0.673655 0.022673 0.117834 ] [ 0.826345 0.522673 0.882166 ] [ 0.05837 0.629357 0.669964 ] [ 0.44163 0.129357 0.330036 ] [ 0.94163 0.370643 0.330036 ] [ 0.55837 0.870643 0.669964 ] [ 0.874737 0.00295 0.825535 ] [ 0.625263 0.50295 0.174465 ] [ 0.125263 0.99705 0.174465 ] [ 0.374737 0.49705 0.825535 ] [ 0.802588 0.90818 0.435686 ] [ 0.697412 0.40818 0.564314 ] [ 0.197412 0.09182 0.564314 ] [ 0.302588 0.59182 0.435686 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sb" "Sb" "Sb" "Sb" "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" 7.67557998111 "source-unit" "angstrom" } "b" { "source-value" 5.49646528 "source-unit" "angstrom" } "c" { "source-value" 7.73522922228 "source-unit" "angstrom" } "beta" { "source-value" 99.5964408271 "source-unit" "degree" } }