{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.834948 0.511851 0.665513 ] [ 0 0.016797 0 ] [ 0.165052 0.511851 0.334487 ] [ 0.334948 0.011851 0.665513 ] [ 0.5 0.516797 0 ] [ 0.665052 0.011851 0.334487 ] [ 0.169992 0.51937 0.830836 ] [ 0.830008 0.51937 0.169164 ] [ 0 0.008698 0.5 ] [ 0.669992 0.01937 0.830836 ] [ 0.330008 0.01937 0.169164 ] [ 0.5 0.508698 0.5 ] [ 0.83023 0.778912 0.165949 ] [ 0.201023 0.891174 0.173669 ] [ 0.958454 0.389252 0.167458 ] [ 0.041546 0.389252 0.832542 ] [ 0.871342 0.138082 0.500098 ] [ 0.128658 0.138082 0.499902 ] [ 0.798977 0.891174 0.826331 ] [ 0.16977 0.778912 0.834051 ] [ 0 0.74922 0.5 ] [ 0.33023 0.278912 0.165949 ] [ 0.701023 0.391174 0.173669 ] [ 0.458454 0.889252 0.167458 ] [ 0.541546 0.889252 0.832542 ] [ 0.371342 0.638082 0.500098 ] [ 0.628658 0.638082 0.499902 ] [ 0.298977 0.391174 0.826331 ] [ 0.66977 0.278912 0.834051 ] [ 0.5 0.24922 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "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" 8.74867351615 "source-unit" "angstrom" } "b" { "source-value" 5.01007555 "source-unit" "angstrom" } "c" { "source-value" 8.74457741406 "source-unit" "angstrom" } "beta" { "source-value" 90.743820322 "source-unit" "degree" } }