{ "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" [ [ 0.064232 0.316166 0.490846 ] [ 0.935768 0.683834 0.509154 ] [ 0.486745 0.290893 0.496785 ] [ 0.513255 0.709107 0.503215 ] [ 0.255349 0.386402 0.223832 ] [ 0.744651 0.613598 0.776168 ] [ 0.725892 0.342743 0.25542 ] [ 0.274108 0.657257 0.74458 ] [ 0.220389 0.106541 0.708452 ] [ 0.779611 0.893459 0.291548 ] [ 0.750788 0.134439 0.682474 ] [ 0.249212 0.865561 0.317526 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.66990998752 "source-unit" "angstrom" } "b" { "source-value" 6.79280670294 "source-unit" "angstrom" } "c" { "source-value" 7.19998192383 "source-unit" "angstrom" } "alpha" { "source-value" 91.8262994533 "source-unit" "degree" } "beta" { "source-value" 104.147963308 "source-unit" "degree" } "gamma" { "source-value" 118.812639822 "source-unit" "degree" } }