{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.500731 0.214443 ] [ 0.75 0.499269 0.785557 ] [ 0.25 0.000731 0.285557 ] [ 0.75 0.999269 0.714443 ] [ 0.25 0.675318 0.582209 ] [ 0.75 0.324682 0.417791 ] [ 0.25 0.175318 0.917791 ] [ 0.75 0.824682 0.082209 ] [ 0.25 0.747544 0.916505 ] [ 0.75 0.252456 0.083495 ] [ 0.25 0.247544 0.583495 ] [ 0.75 0.752456 0.416505 ] [ 0.75 0.200683 0.95307 ] [ 0.25 0.799317 0.04693 ] [ 0.25 0.299317 0.45307 ] [ 0.75 0.700683 0.54693 ] [ 0.949184 0.218636 0.151338 ] [ 0.449184 0.781364 0.848662 ] [ 0.550816 0.718636 0.348662 ] [ 0.050816 0.281364 0.651338 ] [ 0.050816 0.781364 0.848662 ] [ 0.550816 0.218636 0.151338 ] [ 0.449184 0.281364 0.651338 ] [ 0.949184 0.718636 0.348662 ] [ 0.75 0.949988 0.426122 ] [ 0.25 0.050012 0.573878 ] [ 0.25 0.550012 0.926122 ] [ 0.75 0.449988 0.073878 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.47228551 "source-unit" "angstrom" } "b" { "source-value" 8.50548031 "source-unit" "angstrom" } "c" { "source-value" 11.20680868 "source-unit" "angstrom" } }