{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.303368 0.696632 0.156784 ] [ 0.696632 0.303368 0.843216 ] [ 0.803368 0.803368 0.343216 ] [ 0.196632 0.196632 0.656784 ] [ 0.696632 0.303368 0.156784 ] [ 0.303368 0.696632 0.843216 ] [ 0.196632 0.196632 0.343216 ] [ 0.803368 0.803368 0.656784 ] [ 0.676641 0.323359 0.5 ] [ 0.323359 0.676641 0.5 ] [ 0.823359 0.823359 0 ] [ 0.176641 0.176641 0 ] [ 0 0 0.8595 ] [ 0.5 0.5 0.6405 ] [ 0.5 0.5 0.3595 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.1405 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "W" "W" "W" "W" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.85396791 "source-unit" "angstrom" } "c" { "source-value" 10.53451221 "source-unit" "angstrom" } }