{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.059097 0.75 ] [ 0 0.940903 0.25 ] [ 0.5 0.559097 0.75 ] [ 0.5 0.440903 0.25 ] [ 0.277451 0.222357 0.689242 ] [ 0.722549 0.222357 0.810758 ] [ 0.279028 0.905546 0.683301 ] [ 0.720972 0.905546 0.816699 ] [ 0.720972 0.094454 0.316699 ] [ 0.279028 0.094454 0.183301 ] [ 0.277451 0.777643 0.189242 ] [ 0.722549 0.777643 0.310758 ] [ 0.777451 0.722357 0.689242 ] [ 0.222549 0.722357 0.810758 ] [ 0.779028 0.405546 0.683301 ] [ 0.220972 0.405546 0.816699 ] [ 0.220972 0.594454 0.316699 ] [ 0.779028 0.594454 0.183301 ] [ 0.777451 0.277643 0.189242 ] [ 0.222549 0.277643 0.310758 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33998753177 "source-unit" "angstrom" } "b" { "source-value" 11.2186397044 "source-unit" "angstrom" } "c" { "source-value" 5.86178933139 "source-unit" "angstrom" } "beta" { "source-value" 110.710532617 "source-unit" "degree" } }