{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.666375 0.908585 0.25 ] [ 0.666375 0.091415 0.75 ] [ 0.166375 0.408585 0.25 ] [ 0.166375 0.591415 0.75 ] [ 0.977145 0.897909 0.25 ] [ 0.977145 0.102091 0.75 ] [ 0.559686 0 0 ] [ 0.559686 0 0.5 ] [ 0.046792 0.249735 0.25 ] [ 0.046792 0.750265 0.75 ] [ 0.477145 0.397909 0.25 ] [ 0.477145 0.602091 0.75 ] [ 0.059686 0.5 0 ] [ 0.059686 0.5 0.5 ] [ 0.546792 0.749735 0.25 ] [ 0.546792 0.250265 0.75 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "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" 5.10575387 "source-unit" "angstrom" } "b" { "source-value" 9.26967426 "source-unit" "angstrom" } "c" { "source-value" 5.82154686 "source-unit" "angstrom" } }