{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.781845 ] [ 0 0 0.218155 ] [ 0 0 0 ] [ 0.5 0.5 0.281845 ] [ 0.5 0.5 0.718155 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.115859 ] [ 0 0.5 0.884141 ] [ 0.5 0.5 0 ] [ 0.5 0 0.615859 ] [ 0.5 0 0.384141 ] [ 0 0 0.5 ] [ 0.5 0.749962 0.880273 ] [ 0.5 0.250038 0.880273 ] [ 0.5 0.250038 0.119727 ] [ 0.5 0.749962 0.119727 ] [ 0 0.249962 0.380273 ] [ 0 0.750038 0.380273 ] [ 0 0.750038 0.619727 ] [ 0 0.249962 0.619727 ] [ 0.5 0 0.883598 ] [ 0.5 0 0.116402 ] [ 0.5 0.5 0.879474 ] [ 0.5 0.5 0.120526 ] [ 0 0.5 0.383598 ] [ 0 0.5 0.616402 ] [ 0 0 0.379474 ] [ 0 0 0.620526 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05305805012 "source-unit" "angstrom" } "b" { "source-value" 7.05965199386 "source-unit" "angstrom" } "c" { "source-value" 16.8050772778 "source-unit" "angstrom" } }