{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.270906 0.489482 0.666869 ] [ 0.497687 0.75 0.983341 ] [ 0.729094 0.510518 0.333131 ] [ 0.502313 0.25 0.016659 ] [ 0 0.5 0 ] [ 0.805877 0.75 0.669851 ] [ 0 0 0 ] [ 0.270906 0.010518 0.666869 ] [ 0.729094 0.989482 0.333131 ] [ 0.194123 0.25 0.330149 ] [ 0.278607 0.75 0.32273 ] [ 0.721393 0.25 0.67727 ] [ 0.333207 0.97562 0.190536 ] [ 0.022211 0.75 0.444225 ] [ 0.666793 0.47562 0.809464 ] [ 0.977789 0.25 0.555775 ] [ 0.333207 0.52438 0.190536 ] [ 0.666793 0.02438 0.809464 ] [ 0.497896 0.25 0.523292 ] [ 0.502104 0.75 0.476708 ] [ 0.153156 0.75 0.828386 ] [ 0.194616 0.25 0.873775 ] [ 0.805384 0.75 0.126225 ] [ 0.846844 0.25 0.171614 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "W" "W" "N" "N" "N" "N" "N" "N" "N" "N" "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" 6.14827674973 "source-unit" "angstrom" } "b" { "source-value" 6.79737882 "source-unit" "angstrom" } "c" { "source-value" 8.52663453903 "source-unit" "angstrom" } "beta" { "source-value" 90.8191330928 "source-unit" "degree" } }