{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0 0 0.5 ] [ 0.75 0.25 0.25 ] [ 0.5 0 0 ] [ 0.75 0.75 0.75 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.75 ] [ 0 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.013549 0.758138 ] [ 0.761872 0.25 0.000471 ] [ 0 0.486451 0.758138 ] [ 0.238128 0.25 0.000471 ] [ 0.761872 0.75 0.999529 ] [ 0 0.513549 0.241862 ] [ 0.238128 0.75 0.999529 ] [ 0 0.986451 0.241862 ] [ 0.5 0.513549 0.258138 ] [ 0.261872 0.75 0.500471 ] [ 0.5 0.986451 0.258138 ] [ 0.738128 0.75 0.500471 ] [ 0.261872 0.25 0.499529 ] [ 0.5 0.013549 0.741862 ] [ 0.738128 0.25 0.499529 ] [ 0.5 0.486451 0.741862 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "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" 6.12633037 "source-unit" "angstrom" } "b" { "source-value" 6.20332351 "source-unit" "angstrom" } "c" { "source-value" 8.50098241 "source-unit" "angstrom" } }