{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.253269 0.953168 0.397911 ] [ 0.961509 0.05788 0.927526 ] [ 0.336147 0.757565 0.924746 ] [ 0.420319 0.538927 0.480177 ] [ 0.888476 0.548056 0.237762 ] [ 0.635533 0.414626 0.779193 ] [ 0.720485 0.79075 0.416215 ] [ 0.869499 0.252999 0.612928 ] [ 0.674311 0.250437 0.305245 ] [ 0.689427 0.45045 0.995366 ] [ 0.742001 0.578391 0.740758 ] [ 0.126897 0.873517 0.822917 ] [ 0.385774 0.329812 0.61795 ] [ 0.714056 0.238331 0.709346 ] [ 0.42326 0.737335 0.709452 ] [ 0.881272 0.757075 0.349113 ] [ 0.125914 0.370169 0.196152 ] [ 0.864201 0.424368 0.354291 ] [ 0.484066 0.296053 0.299009 ] [ 0.162738 0.878899 0.026344 ] [ 0.508612 0.77014 0.232255 ] [ 0.091369 0.43036 0.763196 ] [ 0.609107 0.057253 0.123642 ] [ 0.131882 0.571158 0.260648 ] [ 0.888874 0.051383 0.58516 ] ] } "species" { "source-value" [ "K" "Na" "Zr" "Zr" "Be" "P" "P" "P" "P" "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" 7.43695887 "source-unit" "angstrom" } "b" { "source-value" 7.83992788 "source-unit" "angstrom" } "c" { "source-value" 7.92842901 "source-unit" "angstrom" } "alpha" { "source-value" 107.63991156 "source-unit" "degree" } "beta" { "source-value" 114.93906767 "source-unit" "degree" } "gamma" { "source-value" 104.28924925 "source-unit" "degree" } }