{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.873349 0.5 0.5 ] [ 0.126651 0 0 ] [ 0.36 0.5 0.768607 ] [ 0.36 0.5 0.231393 ] [ 0.64 0 0.731393 ] [ 0.64 0 0.268607 ] [ 0.781184 0.5 0 ] [ 0.218816 0 0.5 ] [ 0.651247 0.294555 0 ] [ 0.348753 0.205445 0.5 ] [ 0.026373 0.5 0 ] [ 0.973627 0 0.5 ] [ 0.348753 0.794555 0.5 ] [ 0.651247 0.705445 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Na" "Na" "Na" "Na" "B" "B" "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" 5.67828846 "source-unit" "angstrom" } "b" { "source-value" 5.86054888 "source-unit" "angstrom" } "c" { "source-value" 6.32642295 "source-unit" "angstrom" } }