{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.200281 0.321001 0.449624 ] [ 0.799719 0.678999 0.550376 ] [ 0.802953 0.276938 0.688423 ] [ 0.464637 0.262821 0.142106 ] [ 0.535363 0.737179 0.857894 ] [ 0.197047 0.723062 0.311577 ] [ 0.826225 0.984529 0.945924 ] [ 0.124287 0.148844 0.759705 ] [ 0.595813 0.338345 0.937416 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.404187 0.661655 0.062584 ] [ 0.875713 0.851156 0.240295 ] [ 0.173775 0.015471 0.054076 ] [ 0.945328 0.105557 0.677111 ] [ 0.426162 0.312099 0.965766 ] [ 0.527856 0.200446 0.573254 ] [ 0.832012 0.367955 0.897161 ] [ 0.190071 0.147511 0.112441 ] [ 0.642154 0.125155 0.139373 ] [ 0.952279 0.410879 0.632254 ] [ 0.483357 0.580561 0.683327 ] [ 0.516643 0.419439 0.316673 ] [ 0.047721 0.589121 0.367746 ] [ 0.357846 0.874845 0.860627 ] [ 0.809929 0.852489 0.887559 ] [ 0.167988 0.632045 0.102839 ] [ 0.472144 0.799554 0.426746 ] [ 0.573838 0.687901 0.034234 ] [ 0.054672 0.894443 0.322889 ] ] } "species" { "source-value" [ "Ca" "Ca" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.63537123 "source-unit" "angstrom" } "b" { "source-value" 7.88772298 "source-unit" "angstrom" } "c" { "source-value" 8.17318992 "source-unit" "angstrom" } "alpha" { "source-value" 107.9510116 "source-unit" "degree" } "beta" { "source-value" 107.17991054 "source-unit" "degree" } "gamma" { "source-value" 95.90102121 "source-unit" "degree" } }