{ "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" [ [ 0.396335 0.737292 0.799238 ] [ 0.103665 0.237292 0.700762 ] [ 0.603665 0.262708 0.200762 ] [ 0.896335 0.762708 0.299238 ] [ 0.7144 0.798204 0.053593 ] [ 0.7856 0.298204 0.446407 ] [ 0.2856 0.201796 0.946407 ] [ 0.2144 0.701796 0.553593 ] [ 0.437188 0.811708 0.333263 ] [ 0.062812 0.311708 0.166737 ] [ 0.562812 0.188292 0.666737 ] [ 0.937188 0.688292 0.833263 ] [ 0.770429 0.74527 0.590941 ] [ 0.729571 0.24527 0.909059 ] [ 0.229571 0.25473 0.409059 ] [ 0.270429 0.75473 0.090941 ] [ 0.051055 0.699208 0.021819 ] [ 0.448945 0.199208 0.478181 ] [ 0.948945 0.300792 0.978181 ] [ 0.551055 0.800792 0.521819 ] [ 0.343127 0.460304 0.096204 ] [ 0.156873 0.960304 0.403796 ] [ 0.656873 0.539696 0.903796 ] [ 0.843127 0.039696 0.596204 ] [ 0.496516 0.845672 0.167971 ] [ 0.003484 0.345672 0.332029 ] [ 0.503484 0.154328 0.832029 ] [ 0.996516 0.654328 0.667971 ] [ 0.285685 0.547465 0.410432 ] [ 0.214315 0.047465 0.089568 ] [ 0.714315 0.452535 0.589568 ] [ 0.785685 0.952535 0.910432 ] [ 0.144423 0.969901 0.827013 ] [ 0.355577 0.469901 0.672987 ] [ 0.855577 0.030099 0.172987 ] [ 0.644423 0.530099 0.327013 ] [ 0.192654 0.469809 0.83931 ] [ 0.307346 0.969809 0.66069 ] [ 0.807346 0.530191 0.16069 ] [ 0.692654 0.030191 0.33931 ] [ 0.389415 0.799952 0.984261 ] [ 0.110585 0.299952 0.515739 ] [ 0.610585 0.200048 0.015739 ] [ 0.889415 0.700048 0.484261 ] [ 0.682919 0.7936 0.708446 ] [ 0.817081 0.2936 0.791554 ] [ 0.317081 0.2064 0.291554 ] [ 0.182919 0.7064 0.208446 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Re" "Re" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.5694972047 "source-unit" "angstrom" } "b" { "source-value" 6.24078537 "source-unit" "angstrom" } "c" { "source-value" 14.3359105406 "source-unit" "angstrom" } "beta" { "source-value" 98.8518510987 "source-unit" "degree" } }