{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.017727 0.932098 0.75 ] [ 0.482273 0.432098 0.75 ] [ 0.517727 0.567902 0.25 ] [ 0.982273 0.067902 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.125859 0.446875 0.25 ] [ 0.187443 0.191287 0.565681 ] [ 0.187443 0.191287 0.934319 ] [ 0.312557 0.691287 0.565681 ] [ 0.312557 0.691287 0.934319 ] [ 0.374141 0.946875 0.25 ] [ 0.625859 0.053125 0.75 ] [ 0.687443 0.308713 0.065681 ] [ 0.687443 0.308713 0.434319 ] [ 0.812557 0.808713 0.065681 ] [ 0.812557 0.808713 0.434319 ] [ 0.874141 0.553125 0.75 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Co" "Co" "Co" "Co" "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" 4.91168943 "source-unit" "angstrom" } "b" { "source-value" 5.12228325 "source-unit" "angstrom" } "c" { "source-value" 7.17085413 "source-unit" "angstrom" } }