{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.75875 0 0.327636 ] [ 0.24125 0 0.672364 ] [ 0.25875 0.5 0.327636 ] [ 0.74125 0.5 0.672364 ] [ 0.244392 0 0.396689 ] [ 0.755608 0 0.603311 ] [ 0.132118 0.5 0.132594 ] [ 0.899556 0 0.258721 ] [ 0.867882 0.5 0.867406 ] [ 0.100444 0 0.741279 ] [ 0.744392 0.5 0.396689 ] [ 0.255608 0.5 0.603311 ] [ 0.632118 0 0.132594 ] [ 0.399556 0.5 0.258721 ] [ 0.367882 0 0.867406 ] [ 0.600444 0.5 0.741279 ] ] } "species" { "source-value" [ "Ca" "Ca" "V" "V" "V" "V" "O" "O" "O" "O" "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" 10.4720263837 "source-unit" "angstrom" } "b" { "source-value" 3.69740855 "source-unit" "angstrom" } "c" { "source-value" 7.26500033883 "source-unit" "angstrom" } "beta" { "source-value" 102.800676501 "source-unit" "degree" } }