{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.138142 0.238907 0.78253 ] [ 0.861858 0.238907 0.71747 ] [ 0.861858 0.761093 0.21747 ] [ 0.138142 0.761093 0.28253 ] [ 0.638142 0.738907 0.78253 ] [ 0.361858 0.738907 0.71747 ] [ 0.361858 0.261093 0.21747 ] [ 0.638142 0.261093 0.28253 ] [ 0 0.419714 0.75 ] [ 0 0.580286 0.25 ] [ 0.898131 0.91251 0.549623 ] [ 0.101869 0.91251 0.950377 ] [ 0.797493 0.420505 0.376862 ] [ 0.202507 0.420505 0.123138 ] [ 0.202507 0.579495 0.623138 ] [ 0.797493 0.579495 0.876862 ] [ 0.898131 0.08749 0.049623 ] [ 0.101869 0.08749 0.450377 ] [ 0.5 0.919714 0.75 ] [ 0.5 0.080286 0.25 ] [ 0.398131 0.41251 0.549623 ] [ 0.601869 0.41251 0.950377 ] [ 0.297493 0.920505 0.376862 ] [ 0.702507 0.920505 0.123138 ] [ 0.702507 0.079495 0.623138 ] [ 0.297493 0.079495 0.876862 ] [ 0.398131 0.58749 0.049623 ] [ 0.601869 0.58749 0.450377 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 12.8627081602 "source-unit" "angstrom" } "b" { "source-value" 4.89088365053 "source-unit" "angstrom" } "c" { "source-value" 5.51956071429 "source-unit" "angstrom" } "beta" { "source-value" 103.556359123 "source-unit" "degree" } }