{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.183052 0.75 ] [ 0 0.816948 0.25 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.5 0.683052 0.75 ] [ 0.5 0.316948 0.25 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0 0.853693 0.75 ] [ 0 0.146307 0.25 ] [ 0.5 0.353693 0.75 ] [ 0.5 0.646307 0.25 ] [ 0 0.249313 0.062585 ] [ 0 0.750687 0.562585 ] [ 0 0.750687 0.937415 ] [ 0 0.249313 0.437415 ] [ 0.227511 0.958234 0.75 ] [ 0.772489 0.041766 0.25 ] [ 0.772489 0.958234 0.75 ] [ 0.227511 0.041766 0.25 ] [ 0.5 0.749313 0.062585 ] [ 0.5 0.250687 0.562585 ] [ 0.5 0.250687 0.937415 ] [ 0.5 0.749313 0.437415 ] [ 0.727511 0.458234 0.75 ] [ 0.272489 0.541766 0.25 ] [ 0.272489 0.458234 0.75 ] [ 0.727511 0.541766 0.25 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Cr" "Cr" "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" 5.98654394345 "source-unit" "angstrom" } "b" { "source-value" 9.36747031885 "source-unit" "angstrom" } "c" { "source-value" 7.18656922 "source-unit" "angstrom" } }