{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.745454 0.686659 ] [ 0.5 0.745454 0.313341 ] [ 0 0.254546 0.813341 ] [ 0 0.254546 0.186659 ] [ 0.5 0.745547 0 ] [ 0 0.254453 0.5 ] [ 0.5 0.378461 0.661199 ] [ 0.5 0.378461 0.338801 ] [ 0 0.621539 0.838801 ] [ 0 0.621539 0.161199 ] [ 0.5 0.024486 0.140525 ] [ 0.5 0.024486 0.859475 ] [ 0 0.975514 0.359475 ] [ 0 0.975514 0.640525 ] [ 0.5 0.272669 0 ] [ 0 0.727331 0.5 ] [ 0.5 0.120233 0.661538 ] [ 0.5 0.120233 0.338462 ] [ 0 0.879767 0.838462 ] [ 0 0.879767 0.161538 ] [ 0.5 0.54319 0.5 ] [ 0 0.45681 0 ] [ 0.5 0.474917 0.145089 ] [ 0.5 0.474917 0.854911 ] [ 0 0.525083 0.354911 ] [ 0 0.525083 0.645089 ] [ 0.5 0.937853 0.5 ] [ 0 0.062147 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.62216658 "source-unit" "angstrom" } "b" { "source-value" 10.48636558 "source-unit" "angstrom" } "c" { "source-value" 13.69238132 "source-unit" "angstrom" } }