{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.241577 0.009496 0.219064 ] [ 0.241577 0.490504 0.219064 ] [ 0.758423 0.509496 0.780936 ] [ 0.758423 0.990504 0.780936 ] [ 0.775621 0.75 0.370901 ] [ 0.224379 0.25 0.629099 ] [ 0.709444 0.25 0.424724 ] [ 0.290556 0.75 0.575276 ] [ 0.730533 0.75 0.082937 ] [ 0.269467 0.25 0.917063 ] [ 0.297395 0.25 0.041985 ] [ 0.934824 0.75 0.146129 ] [ 0.55393 0.75 0.162043 ] [ 0.782926 0.075949 0.351828 ] [ 0.782926 0.424051 0.351828 ] [ 0.176851 0.75 0.42896 ] [ 0.44181 0.25 0.434922 ] [ 0.55819 0.75 0.565078 ] [ 0.823149 0.25 0.57104 ] [ 0.217074 0.575949 0.648172 ] [ 0.217074 0.924051 0.648172 ] [ 0.44607 0.25 0.837957 ] [ 0.065176 0.25 0.853871 ] [ 0.702605 0.75 0.958015 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pr" "Pr" "P" "P" "C" "C" "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" 5.82477138 "source-unit" "angstrom" } "b" { "source-value" 7.39595767 "source-unit" "angstrom" } "c" { "source-value" 10.03574648 "source-unit" "angstrom" } "beta" { "source-value" 93.08139889 "source-unit" "degree" } }