{ "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" [ [ 0.702902 0.092153 0.482712 ] [ 0.706008 0.90462 0.978847 ] [ 0.297098 0.092153 0.517288 ] [ 0.293992 0.90462 0.021153 ] [ 0.202902 0.592153 0.482712 ] [ 0.206008 0.40462 0.978847 ] [ 0.797098 0.592153 0.517288 ] [ 0.793992 0.40462 0.021153 ] [ 0 0.088558 0 ] [ 0.5 0.588558 0 ] [ 0.874488 0.095158 0.609867 ] [ 0.145247 0.758239 0.441806 ] [ 0.878691 0.917358 0.061081 ] [ 0.636665 0.005299 0.692625 ] [ 0.854753 0.758239 0.558194 ] [ 0.646223 0.000125 0.200195 ] [ 0.363335 0.005299 0.307375 ] [ 0.144448 0.233723 0.949843 ] [ 0.353777 0.000125 0.799805 ] [ 0.125512 0.095158 0.390133 ] [ 0.855552 0.233723 0.050157 ] [ 0.121309 0.917358 0.938919 ] [ 0.374488 0.595158 0.609867 ] [ 0.645247 0.258239 0.441806 ] [ 0.378691 0.417358 0.061081 ] [ 0.136665 0.505299 0.692625 ] [ 0.354753 0.258239 0.558194 ] [ 0.146223 0.500125 0.200195 ] [ 0.863335 0.505299 0.307375 ] [ 0.644448 0.733723 0.949843 ] [ 0.853777 0.500125 0.799805 ] [ 0.625512 0.595158 0.390133 ] [ 0.355552 0.733723 0.050157 ] [ 0.621309 0.417358 0.938919 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "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" 9.97448843 "source-unit" "angstrom" } "b" { "source-value" 9.04160908 "source-unit" "angstrom" } "c" { "source-value" 5.75965513 "source-unit" "angstrom" } "beta" { "source-value" 109.58103036 "source-unit" "degree" } }