{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.132808 0.051259 0.749697 ] [ 0.624095 0.849096 0.808619 ] [ 0.867192 0.948741 0.250303 ] [ 0.026286 0.712509 0.911204 ] [ 0.375905 0.150904 0.191381 ] [ 0.973714 0.287491 0.088796 ] [ 0 0 0 ] [ 0.194191 0.738902 0.650024 ] [ 0.639944 0.532404 0.724674 ] [ 0.252625 0.082542 0.45122 ] [ 0.805809 0.261098 0.349976 ] [ 0.553783 0.173651 0.921332 ] [ 0.747375 0.917458 0.54878 ] [ 0.909602 0.630748 0.168472 ] [ 0.360056 0.467596 0.275326 ] [ 0.090398 0.369252 0.831528 ] [ 0.446217 0.826349 0.078668 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ru" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.74402836824 "source-unit" "angstrom" } "b" { "source-value" 9.45893825786 "source-unit" "angstrom" } "c" { "source-value" 9.7987871165 "source-unit" "angstrom" } "alpha" { "source-value" 109.097006101 "source-unit" "degree" } "beta" { "source-value" 96.9701209952 "source-unit" "degree" } "gamma" { "source-value" 106.747768189 "source-unit" "degree" } }