{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.594337 0.671954 ] [ 0.75 0.405663 0.328046 ] [ 0.25 0.094337 0.828046 ] [ 0.75 0.905663 0.171954 ] [ 0.25 0.838712 0.448002 ] [ 0.75 0.161288 0.551998 ] [ 0.25 0.338712 0.051998 ] [ 0.75 0.661288 0.948002 ] [ 0.75 0.514405 0.109323 ] [ 0.25 0.485595 0.890677 ] [ 0.75 0.014405 0.390677 ] [ 0.25 0.985595 0.609323 ] [ 0.75 0.811523 0.786451 ] [ 0.25 0.188477 0.213549 ] [ 0.75 0.311523 0.713549 ] [ 0.25 0.688477 0.286451 ] [ 0.75 0.657034 0.505603 ] [ 0.25 0.342966 0.494397 ] [ 0.75 0.157034 0.994397 ] [ 0.25 0.842966 0.005603 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Cr" "Cr" "Cr" "Cr" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.9762483 "source-unit" "angstrom" } "b" { "source-value" 8.14979819 "source-unit" "angstrom" } "c" { "source-value" 13.64741779 "source-unit" "angstrom" } }