{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.34466 0.75 ] [ 0.5 0.65534 0.25 ] [ 0 0.825842 0.75 ] [ 0 0.174158 0.25 ] [ 0.259454 0.622663 0.903172 ] [ 0.740546 0.622663 0.596828 ] [ 0.740546 0.377337 0.096828 ] [ 0.259454 0.377337 0.403172 ] [ 0.219579 0.109234 0.930257 ] [ 0.780421 0.109234 0.569743 ] [ 0.219579 0.890766 0.430257 ] [ 0.780421 0.890766 0.069743 ] ] } "species" { "source-value" [ "Ni" "Ni" "W" "W" "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" 4.66849207093 "source-unit" "angstrom" } "b" { "source-value" 5.73270034 "source-unit" "angstrom" } "c" { "source-value" 5.02132875222 "source-unit" "angstrom" } "beta" { "source-value" 90.5945545996 "source-unit" "degree" } }