{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0.229321 0.674974 0.17126 ] [ 0.729321 0.325026 0.17126 ] [ 0.729321 0.825026 0.32874 ] [ 0.229321 0.174974 0.32874 ] [ 0.770679 0.825026 0.67126 ] [ 0.270679 0.174974 0.67126 ] [ 0.270679 0.674974 0.82874 ] [ 0.770679 0.325026 0.82874 ] [ 0.75 0.794955 0 ] [ 0.25 0.205045 0 ] [ 0.25 0.705045 0.5 ] [ 0.75 0.294955 0.5 ] [ 0.132834 0.875254 0.092921 ] [ 0.632834 0.124746 0.092921 ] [ 0.534991 0.574514 0.114252 ] [ 0.034991 0.425486 0.114252 ] [ 0.408039 0.357063 0.245222 ] [ 0.908039 0.642937 0.245222 ] [ 0.408039 0.857063 0.254778 ] [ 0.908039 0.142937 0.254778 ] [ 0.034991 0.925486 0.385748 ] [ 0.534991 0.074514 0.385748 ] [ 0.632834 0.624746 0.407079 ] [ 0.132834 0.375254 0.407079 ] [ 0.867166 0.624746 0.592921 ] [ 0.367166 0.375254 0.592921 ] [ 0.465009 0.925486 0.614252 ] [ 0.965009 0.074514 0.614252 ] [ 0.091961 0.857063 0.745222 ] [ 0.591961 0.142937 0.745222 ] [ 0.591961 0.642937 0.754778 ] [ 0.091961 0.357063 0.754778 ] [ 0.965009 0.574514 0.885748 ] [ 0.465009 0.425486 0.885748 ] [ 0.367166 0.875254 0.907079 ] [ 0.867166 0.124746 0.907079 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Pb" "Pb" "Pb" "Pb" "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" 5.27359911 "source-unit" "angstrom" } "b" { "source-value" 6.132799 "source-unit" "angstrom" } "c" { "source-value" 15.90032188 "source-unit" "angstrom" } }