{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.250549 0.488938 0.178394 ] [ 0.251587 0.630368 0.590936 ] [ 0.751587 0.869632 0.090936 ] [ 0.751587 0.369632 0.409064 ] [ 0.251587 0.130368 0.909064 ] [ 0.750549 0.011062 0.678394 ] [ 0.250549 0.988938 0.321606 ] [ 0.750549 0.511062 0.821606 ] [ 0.250979 0.723456 0.921682 ] [ 0.750979 0.276544 0.078318 ] [ 0.250979 0.223456 0.578318 ] [ 0.750979 0.776544 0.421682 ] [ 0.755296 0.17744 0.918424 ] [ 0.500998 0.187339 0.154386 ] [ 0.755296 0.67744 0.581576 ] [ 0.500998 0.687339 0.345614 ] [ 0.000998 0.312661 0.654386 ] [ 0.000998 0.812661 0.845614 ] [ 0.756391 0.51603 0.080697 ] [ 0.256391 0.98397 0.580697 ] [ 0.256391 0.48397 0.919303 ] [ 0.4932 0.8071 0.835247 ] [ 0.9932 0.1929 0.164753 ] [ 0.756391 0.01603 0.419303 ] [ 0.255296 0.82256 0.081576 ] [ 0.9932 0.6929 0.335247 ] [ 0.4932 0.3071 0.664753 ] [ 0.255296 0.32256 0.418424 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.38708521 "source-unit" "angstrom" } "b" { "source-value" 9.38057021 "source-unit" "angstrom" } "c" { "source-value" 12.93292515 "source-unit" "angstrom" } }