{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.066667 0.426617 0.139186 ] [ 0.566667 0.073383 0.360814 ] [ 0.933333 0.926617 0.860814 ] [ 0.433333 0.573383 0.639186 ] [ 0.933333 0.573383 0.860814 ] [ 0.433333 0.926617 0.639186 ] [ 0.066667 0.073383 0.139186 ] [ 0.566667 0.426617 0.360814 ] [ 0.090514 0.25 0.771178 ] [ 0.590514 0.25 0.728822 ] [ 0.909486 0.75 0.228822 ] [ 0.409486 0.75 0.271178 ] [ 0.049371 0.369858 0.472692 ] [ 0.549371 0.130142 0.027308 ] [ 0.950629 0.869858 0.527308 ] [ 0.450629 0.630142 0.972692 ] [ 0.950629 0.630142 0.527308 ] [ 0.450629 0.869858 0.972692 ] [ 0.049371 0.130142 0.472692 ] [ 0.549371 0.369858 0.027308 ] [ 0.140565 0.549581 0.395685 ] [ 0.640565 0.950419 0.104315 ] [ 0.859435 0.049581 0.604315 ] [ 0.359435 0.450419 0.895685 ] [ 0.859435 0.450419 0.604315 ] [ 0.359435 0.049581 0.895685 ] [ 0.140565 0.950419 0.395685 ] [ 0.640565 0.549581 0.104315 ] [ 0.283487 0.25 0.532139 ] [ 0.783487 0.25 0.967861 ] [ 0.716513 0.75 0.467861 ] [ 0.216513 0.75 0.032139 ] [ 0.416989 0.25 0.154885 ] [ 0.916989 0.25 0.345115 ] [ 0.583011 0.75 0.845115 ] [ 0.083011 0.75 0.654885 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.49356483 "source-unit" "angstrom" } "b" { "source-value" 10.94619337 "source-unit" "angstrom" } "c" { "source-value" 12.18558646 "source-unit" "angstrom" } }