{ "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" [ [ 0.115913 0.75 0.3629 ] [ 0.884087 0.25 0.6371 ] [ 0.853902 0.25 0.175321 ] [ 0.146098 0.75 0.824679 ] [ 0.649277 0.75 0.070832 ] [ 0.350723 0.25 0.929168 ] [ 0.33472 0.25 0.396328 ] [ 0.66528 0.75 0.603672 ] [ 0.339696 0.25 0.544036 ] [ 0.660304 0.75 0.455964 ] [ 0.631458 0.25 0.36187 ] [ 0.368542 0.75 0.63813 ] [ 0.23961 0.075246 0.852238 ] [ 0.76039 0.575246 0.147762 ] [ 0.76039 0.924754 0.147762 ] [ 0.23961 0.424754 0.852238 ] [ 0.334334 0.75 0.051803 ] [ 0.665666 0.25 0.948197 ] [ 0.73686 0.75 0.930053 ] [ 0.26314 0.25 0.069947 ] [ 0.823628 0.578531 0.670783 ] [ 0.176372 0.078531 0.329217 ] [ 0.176372 0.421469 0.329217 ] [ 0.823628 0.921469 0.670783 ] ] } "species" { "source-value" [ "Na" "Na" "Tm" "Tm" "S" "S" "S" "S" "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" 4.75945771 "source-unit" "angstrom" } "b" { "source-value" 6.85033466 "source-unit" "angstrom" } "c" { "source-value" 9.89676895 "source-unit" "angstrom" } "beta" { "source-value" 97.2181484 "source-unit" "degree" } }