{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.193384 0.5 0.35759 ] [ 0.806616 0.5 0.64241 ] [ 0.809347 0.5 0.167204 ] [ 0.190653 0.5 0.832796 ] [ 0 0 0.5 ] [ 0.693384 0 0.35759 ] [ 0.306616 0 0.64241 ] [ 0.309347 0 0.167204 ] [ 0.690653 0 0.832796 ] [ 0.5 0.5 0.5 ] [ 0 0.765119 0 ] [ 0 0.234881 0 ] [ 0.5 0.265119 0 ] [ 0.5 0.734881 0 ] [ 0.154799 0.250312 0.577914 ] [ 0.000878 0 0.185113 ] [ 0.845201 0.250312 0.422086 ] [ 0.000179 0.5 0.171006 ] [ 0.158983 0.25499 0.078487 ] [ 0.845201 0.749688 0.422086 ] [ 0.999122 0 0.814887 ] [ 0.154799 0.749688 0.577914 ] [ 0.999821 0.5 0.828994 ] [ 0.158983 0.74501 0.078487 ] [ 0.841017 0.25499 0.921513 ] [ 0.841017 0.74501 0.921513 ] [ 0.654799 0.750312 0.577914 ] [ 0.500878 0.5 0.185113 ] [ 0.345201 0.750312 0.422086 ] [ 0.500179 0 0.171006 ] [ 0.658983 0.75499 0.078487 ] [ 0.345201 0.249688 0.422086 ] [ 0.499122 0.5 0.814887 ] [ 0.654799 0.249688 0.577914 ] [ 0.499821 0 0.828994 ] [ 0.658983 0.24501 0.078487 ] [ 0.341017 0.75499 0.921513 ] [ 0.341017 0.24501 0.921513 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Ru" "Ru" "Ru" "Ru" "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" 12.9128070051 "source-unit" "angstrom" } "b" { "source-value" 6.02681611 "source-unit" "angstrom" } "c" { "source-value" 7.74379385774 "source-unit" "angstrom" } "beta" { "source-value" 107.453225166 "source-unit" "degree" } }