{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.241113 0.035738 0.24935 ] [ 0.758887 0.535738 0.25065 ] [ 0.241113 0.464262 0.74935 ] [ 0.758887 0.964262 0.75065 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.308603 0.018865 0.734792 ] [ 0.691397 0.518865 0.765208 ] [ 0.691397 0.981135 0.265208 ] [ 0.308603 0.481135 0.234792 ] [ 0.842157 0.728192 0.540228 ] [ 0.157843 0.228192 0.959772 ] [ 0.157843 0.271808 0.459772 ] [ 0.842157 0.771808 0.040228 ] [ 0.767781 0.299202 0.038223 ] [ 0.232219 0.799202 0.461777 ] [ 0.232219 0.700798 0.961777 ] [ 0.767781 0.200798 0.538223 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ho" "Ho" "Ru" "Ru" "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" 5.80520931 "source-unit" "angstrom" } "b" { "source-value" 5.86291124 "source-unit" "angstrom" } "c" { "source-value" 10.04311283 "source-unit" "angstrom" } "beta" { "source-value" 124.944832 "source-unit" "degree" } }