{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.697044 0.080479 ] [ 0.25 0.211948 0.196411 ] [ 0.75 0.711948 0.303589 ] [ 0.75 0.197044 0.419521 ] [ 0.25 0.802956 0.580479 ] [ 0.25 0.288052 0.696411 ] [ 0.75 0.788052 0.803589 ] [ 0.75 0.302956 0.919521 ] [ 0.75 0.942228 0.152652 ] [ 0.75 0.48797 0.170989 ] [ 0.25 0.98797 0.329011 ] [ 0.25 0.442228 0.347348 ] [ 0.75 0.557772 0.652652 ] [ 0.75 0.01203 0.670989 ] [ 0.25 0.51203 0.829011 ] [ 0.25 0.057772 0.847348 ] [ 0.25 0.305085 0.026925 ] [ 0.75 0.805085 0.473075 ] [ 0.25 0.194915 0.526925 ] [ 0.75 0.694915 0.973075 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "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" 3.12381843 "source-unit" "angstrom" } "b" { "source-value" 5.57555659 "source-unit" "angstrom" } "c" { "source-value" 13.84090738 "source-unit" "angstrom" } }