{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1cn" } "basis-atom-coordinates" { "source-value" [ [ 0.507207 0.163279 0.372483 ] [ 0.007207 0.836721 0.627517 ] [ 0.000539 0.401638 0.621707 ] [ 0.007207 0.663279 0.127517 ] [ 0.507207 0.336721 0.872483 ] [ 0.500539 0.901638 0.878293 ] [ 0.000539 0.098362 0.121707 ] [ 0.500539 0.598362 0.378293 ] [ 0.952856 0.120501 0.833648 ] [ 0.452856 0.879499 0.166352 ] [ 0.952856 0.379499 0.333648 ] [ 0.452856 0.620501 0.666352 ] [ 0.257645 0.37805 0.062124 ] [ 0.757645 0.62195 0.937876 ] [ 0.757645 0.87805 0.437876 ] [ 0.257645 0.12195 0.562124 ] [ 0.347282 0.460199 0.729557 ] [ 0.347866 0.778322 0.733086 ] [ 0.768711 0.619612 0.651822 ] [ 0.847866 0.221678 0.266914 ] [ 0.796795 0.12314 0.957948 ] [ 0.268711 0.380388 0.348178 ] [ 0.768711 0.880388 0.151822 ] [ 0.847282 0.539801 0.270443 ] [ 0.796795 0.37686 0.457948 ] [ 0.347866 0.721678 0.233086 ] [ 0.296795 0.62314 0.542052 ] [ 0.268711 0.119612 0.848178 ] [ 0.296795 0.87686 0.042052 ] [ 0.847282 0.960199 0.770443 ] [ 0.847866 0.278322 0.766914 ] [ 0.347282 0.039801 0.229557 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "P" "P" "P" "P" "Cl" "Cl" "Cl" "Cl" "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" 4.86496144 "source-unit" "angstrom" } "b" { "source-value" 8.01069263 "source-unit" "angstrom" } "c" { "source-value" 11.06794867 "source-unit" "angstrom" } }